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Sgc-cbp30

E3L007895

Internal ID: BDB007895

Activity data available Local docking-ready structure

Dock with O15164 Dock with Q09472 Dock with Q92793 Dock with Q92831

Structure

/e3_file/ligand_db/generated/BDB007895/BDB007895.sdf

Basic Properties

Compound ID

E3L007895

Internal ID

BDB007895

Molecular formula

C28H33ClN4O3

Molecular weight

509.050000

Exact mass

508.224119

XLogP

5.4760

TPSA

65.5500

HBA / HBD

6 / 0

Rotatable bonds

Heavy atoms / rings

36 / 5

Activity summary

Kd unknown 21.00000000 nM
30 activity record(s) imported

InChIKey

GEPYBHCJBORHCE-SFHVURJKSA-N

SMILES

COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl

Aliases

BDBM188519 (preferred) Sgc-cbp30 (source_name) BDBM188519 (source_id)

E3 Relation

E3 UniProt	Gene / protein	Relation type	Ligand role	Direct	Functional	Docking	Source	Evidence
O15164	TRIM24;RNF82;TIF1;TIF1A Transcription intermediary factor 1-alpha	reported_binder	bindingdb_reported	Yes	No	low	BindingDB:BDBM188519	medium ; target=Transcription intermediary factor 1-alpha
Q09472	EP300;P300 Histone acetyltransferase p300	reported_binder	bindingdb_reported	Yes	No	low	BindingDB:BDBM188519	medium ; target=Histone acetyltransferase p300; CREB-binding protein
Q92793	CREBBP;CBP CREB-binding protein	reported_binder	bindingdb_reported	Yes	No	low	BindingDB:BDBM188519	medium ; target=CREB-binding protein
Q92831	KAT2B;PCAF Histone acetyltransferase KAT2B	reported_binder	bindingdb_reported	Yes	No	low	BindingDB:BDBM188519	medium ; target=Histone acetyltransferase KAT2B

Sources and Literature

Source	Source ID	Source URL	Download URL	DOI / PMID
BindingDB	BDBM188519	Open	-	10.1016/j.ejmech.2018.01.087; 10.7270/Q2V41078; 10.1021/acs.jmedchem.5b00229; 10.1073/pnas.1501956112; 10.1021/acs.jmedchem.2c01638; 10.7270/Q2GT5SRH; 10.7270/Q2VM4HXD; 10.1021/acs.jmedchem.6b00774; 10.1021/acs.jmedchem.5b01514; 10.1021/acs.jmedchem.6b01022; 10.1021/acs.jmedchem.6b01839; 10.1016/j.bmc.2018.05.003; 10.1016/j.ejmech.2018.04.034; 10.1021/acs.jmedchem.0c02232; 10.1016/j.chembiol.2015.10.013; 10.1016/j.ejmech.2020.112861 PMID: 29448139; 35569250; 26086931; 26261308; 36695774; 38649304; 38477974; 27673482; 26572217; 27682507; 28375629; 29776834; 29758518; 33872011; 26670081; 33045661
PubChem	CID72201027	Open	-

Structure Files

Kind	Format	Status	Docking use	File / link	Preparation note
canonical_2d	SMILES	raw	Docking-ready	COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C[C@H](C)N2CCOCC2)cc1Cl	keep_bindingdb_unique
generated_3d	SDF	prepared	Docking-ready	public/e3_file/ligand_db/generated/BDB007895/BDB007895.sdf	Generated from canonical SMILES
generated_3d	MOL2	prepared	Docking-ready	public/e3_file/ligand_db/generated/BDB007895/BDB007895.mol2	Generated from canonical SMILES
docking_ready	PDBQT	prepared	Docking-ready	public/e3_file/ligand_db/generated/BDB007895/BDB007895.pdbqt	Generated from canonical SMILES
image	PNG	prepared	Reference	public/e3_file/ligand_db/generated/BDB007895/BDB007895.png	Generated from canonical SMILES
image	SVG	prepared	Reference	public/e3_file/ligand_db/generated/BDB007895/BDB007895.svg	Generated from canonical SMILES

Activity

Target	Source	Assay	Result	Potency	Literature	Records
CREB-binding protein Q92793 E3 ligase component	BindingDB:BDBM188519	IC50	79 nM	High	DOI: 10.1016/j.bmc.2018.05.003 PMID: 29776834	1
CREB-binding protein Q92793 E3 ligase component	BindingDB:BDBM188519	IC50	30 nM	High	DOI: 10.1021/acs.jmedchem.6b01022 PMID: 27682507	1
CREB-binding protein Q92793 E3 ligase component	BindingDB:BDBM188519	IC50	66 nM	High	DOI: 10.1073/pnas.1501956112 PMID: 26261308	1
CREB-binding protein Q92793 E3 ligase component	BindingDB:BDBM188519	IC50	80 nM	High	DOI: 10.1016/j.ejmech.2018.01.087 PMID: 29448139	1
CREB-binding protein Q92793 E3 ligase component	BindingDB:BDBM188519	IC50	69 nM	High	DOI: 10.1021/acs.jmedchem.5b01514 PMID: 26572217	1
CREB-binding protein Q92793 E3 ligase component	BindingDB:BDBM188519	IC50	64 nM	High	DOI: 10.1021/acs.jmedchem.0c02232 PMID: 33872011	1
CREB-binding protein Q92793 E3 ligase component	BindingDB:BDBM188519	IC50	28 nM	High	DOI: 10.1021/acs.jmedchem.0c02232 PMID: 33872011	1
CREB-binding protein Q92793 E3 ligase component	BindingDB:BDBM188519	IC50	64 nM	High	DOI: 10.1021/acs.jmedchem.6b01839 PMID: 28375629	1
CREB-binding protein Q92793 E3 ligase component	BindingDB:BDBM188519	IC50	125 nM	Moderate	DOI: 10.1016/j.ejmech.2018.04.034 PMID: 29758518	1
CREB-binding protein Q92793 E3 ligase component	BindingDB:BDBM188519	IC50	2800 nM	Low	DOI: 10.1021/acs.jmedchem.6b01022 PMID: 27682507	1
CREB-binding protein Q92793 E3 ligase component	BindingDB:BDBM188519	IC50	68 nM	High	DOI: 10.1073/pnas.1501956112 PMID: 26261308	1
CREB-binding protein Q92793 E3 ligase component	BindingDB:BDBM188519	Kd	21 nM	High	DOI: 10.7270/Q2GT5SRH PMID: 38649304	1
CREB-binding protein Q92793 E3 ligase component	BindingDB:BDBM188519	Kd	21 nM	High	DOI: 10.1016/j.chembiol.2015.10.013 PMID: 26670081	1
CREB-binding protein Q92793 E3 ligase component	BindingDB:BDBM188519	Kd	21 nM	High	DOI: 10.1016/j.ejmech.2020.112861 PMID: 33045661	1
CREB-binding protein Q92793 E3 ligase component	BindingDB:BDBM188519	Kd	21 nM	High	DOI: 10.1021/acs.jmedchem.6b00774 PMID: 27673482	1
CREB-binding protein Q92793 E3 ligase component	BindingDB:BDBM188519	Kd	21 nM	High	DOI: 10.1021/acs.jmedchem.2c01638 PMID: 36695774	1
CREB-binding protein Q09472 E3 ligase component	BindingDB:BDBM188519	Kd	21 nM	High	DOI: 10.1021/acs.jmedchem.6b00774 PMID: 27673482	1
CREB-binding protein Q92793 E3 ligase component	BindingDB:BDBM188519	Kd	21 nM	High	DOI: 10.7270/Q2VM4HXD PMID: 38477974	1
CREB-binding protein Q92793 E3 ligase component	BindingDB:BDBM188519	Kd	21 nM	High	DOI: 10.1021/acs.jmedchem.5b00229 PMID: 26086931	1
CREB-binding protein Q92793 E3 ligase component	BindingDB:BDBM188519	Kd	21 nM	High	DOI: 10.1021/acs.jmedchem.5b01514 PMID: 26572217	1
CREB-binding protein Q92793 E3 ligase component	BindingDB:BDBM188519	Kd	21 nM	High	DOI: 10.1021/acs.jmedchem.0c02232 PMID: 33872011	1
Histone acetyltransferase KAT2B Q92831 E3 ligase component	BindingDB:BDBM188519	IC50	>20000 nM	Low	DOI: 10.1016/j.ejmech.2018.01.087 PMID: 29448139	1
Histone acetyltransferase p300 Q09472 E3 ligase component	BindingDB:BDBM188519	IC50	67 nM	High	DOI: 10.7270/Q2V41078 PMID: 35569250	1
Histone acetyltransferase p300 Q09472 E3 ligase component	BindingDB:BDBM188519	IC50	230 nM	Moderate	DOI: 10.1016/j.ejmech.2018.01.087 PMID: 29448139	1
Histone acetyltransferase p300 Q09472 E3 ligase component	BindingDB:BDBM188519	Kd	32 nM	High	DOI: 10.1021/acs.jmedchem.5b00229 PMID: 26086931	1
Histone acetyltransferase p300 Q09472 E3 ligase component	BindingDB:BDBM188519	Kd	32 nM	High	DOI: 10.7270/Q2VM4HXD PMID: 38477974	1
Histone acetyltransferase p300 Q09472 E3 ligase component	BindingDB:BDBM188519	Kd	32 nM	High	DOI: 10.7270/Q2GT5SRH PMID: 38649304	1
Histone acetyltransferase p300 Q09472 E3 ligase component	BindingDB:BDBM188519	Kd	35 nM	High	DOI: 10.1021/acs.jmedchem.2c01638 PMID: 36695774	1
Histone acetyltransferase p300 Q09472 E3 ligase component	BindingDB:BDBM188519	Kd	31847100 nM	Low	DOI: 10.1073/pnas.1501956112 PMID: 26261308	1
Transcription intermediary factor 1-alpha O15164 E3 ligase component	BindingDB:BDBM188519	IC50	>20000 nM	Low	DOI: 10.1016/j.ejmech.2018.01.087 PMID: 29448139	1