| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L013641
BDB013641
|
US10144731, Example 142
CN1CCN(Cc2cc(C(CC(=O)O)c3ccc4c(c3)nnn4C)ccc2Cl)S(=O)(=O)c2ccccc21
|
C26H26ClN5O4S 540.045000 |
WMFNTTPHZCWVFH-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304986; PubChem:CID118169851
|
Local ready
Direct docking supported
|
|
E3L013642
BDB013642
|
BDBM310898
CN(C)C(=O)c1cccc(-c2cn(C)c(=O)c3[nH]ccc23)c1
|
C17H17N3O2 295.342000 |
YHMNROQTPUKNLA-UHFFFAOYSA-N | O15164, Q09472, Q92793 | Histone acetyltransferase p300, Transcription intermediary factor 1-alpha, CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM310898; PubChem:CID119081692
|
Local ready
Direct docking supported
|
|
E3L013643
BDB013643
|
US10155731, Example 93
COCCCn1cc(C)c2c(C)cc([C@@H](C)N(C(=O)[C@H]3CNCCN3)C3CC3)cc21
|
C24H36N4O2 412.578000 |
WUNRGSZCNAMGIQ-WIYYLYMNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM311113; PubChem:CID121356641
|
Local ready
Direct docking supported
|
|
E3L013644
BDB013644
|
US10155731, Example 299
COCCOc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc(CCCNC(=O)OC)n1
|
C23H36N4O6 464.563000 |
DVRWLTUXPBVVSV-OXQOHEQNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM311171; PubChem:CID89939546
|
Local ready
Direct docking supported
|
|
E3L013645
BDB013645
|
US10155731, Example 301
COCCCc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc(CCCNC(=O)OC)n1
|
C24H38N4O5 462.591000 |
ZGGDBUDOFBYTIE-VGOFRKELSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM311172; PubChem:CID117883215
|
Local ready
Direct docking supported
|
|
E3L013646
BDB013646
|
US10155731, Example 304
COC(=O)NCCCc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc(OC(C)C)n1
|
C23H36N4O5 448.564000 |
MQZWQLAQMPVFSB-OXQOHEQNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM311173; PubChem:CID68310504
|
Local ready
Direct docking supported
|
|
E3L013647
BDB013647
|
US10155731, Example 305
CCc1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc2c1c(C(F)(F)F)cn2CCCOC
|
C24H33F3N4O3 482.547000 |
RGUSPKQQTQMWDZ-QVKFZJNVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM311174; PubChem:CID117883211
|
Local ready
Direct docking supported
|
|
E3L013648
BDB013648
|
US10155731, Example 306
CCc1nc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc2c1c(C(F)(F)F)cn2CCCOC
|
C24H33F3N4O3 482.547000 |
RGUSPKQQTQMWDZ-YCRPNKLZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM311175; PubChem:CID68310488
|
Local ready
Direct docking supported
|
|
E3L013649
BDB013649
|
US10155764, Example 1
CN(C)C(CNc1nn(C)c(=O)c2cccnc12)c1ccccc1
|
C18H21N5O 323.400000 |
VWVIDIAXUYVRQR-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM311402; PubChem:CID118917357
|
Local ready
Direct docking supported
|
|
E3L013650
BDB013650
|
US10155764, Example 1A
CN(C)[C@H](CNc1nn(C)c(=O)c2cccnc12)c1ccccc1
|
C18H21N5O 323.400000 |
VWVIDIAXUYVRQR-OAHLLOKOSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM311403; PubChem:CID118928684
|
Local ready
Direct docking supported
|
|
E3L013651
BDB013651
|
US10155764, Example 1B
CN(C)[C@@H](CNc1nn(C)c(=O)c2cccnc12)c1ccccc1
|
C18H21N5O 323.400000 |
VWVIDIAXUYVRQR-HNNXBMFYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM311404; PubChem:CID118917356
|
Local ready
Direct docking supported
|
|
E3L013652
BDB013652
|
US10155764, Example 2
CN(C)CCNc1nn(C)c(=O)c2cccnc12
|
C12H17N5O 247.302000 |
FTPPGYOJEMPFJX-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM311405; PubChem:CID118928694
|
Local ready
Direct docking supported
|
|
E3L013653
BDB013653
|
US10155764, Example 3
COc1ccc2c(=O)n(C)nc(NCCN(C)C)c2c1
|
C14H20N4O2 276.340000 |
SKGMMOLMCPDPCE-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM311406; PubChem:CID118928692
|
Local ready
Direct docking supported
|
|
E3L013654
BDB013654
|
US10155764, Example 4
COc1ccc2c(NCCN(C)C)nn(C)c(=O)c2c1
|
C14H20N4O2 276.340000 |
JNASQXDHHKRKBW-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM311407; PubChem:CID118928695
|
Local ready
Direct docking supported
|
|
E3L013655
BDB013655
|
US10155764, Example 5
CN(C)CCNc1nn(C)c(=O)c2cccc(F)c12
|
C13H17FN4O 264.304000 |
OFRSZMRZLGGCMO-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM311408; PubChem:CID118928689
|
Local ready
Direct docking supported
|
|
E3L013656
BDB013656
|
US10155764, Example 6
CN(C)CCNc1nn(C)c(=O)c2c(F)cccc12
|
C13H17FN4O 264.304000 |
CBXQYKWWBRCFJR-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM311409; PubChem:CID118928737
|
Local ready
Direct docking supported
|
|
E3L013657
BDB013657
|
US10155764, Example 7A
C[C@@H](CNc1nn(C)c(=O)c2cccnc12)N(C)C
|
C13H19N5O 261.329000 |
ZWVJNXMVPIIWIQ-VIFPVBQESA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM311410; PubChem:CID118928604
|
Local ready
Direct docking supported
|
|
E3L013658
BDB013658
|
US10155764, Example 7B
C[C@H](CNc1nn(C)c(=O)c2cccnc12)N(C)C
|
C13H19N5O 261.329000 |
ZWVJNXMVPIIWIQ-SECBINFHSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM311411; PubChem:CID118928687
|
Local ready
Direct docking supported
|
|
E3L013659
BDB013659
|
US10155764, Example 8A
C[C@@H](CN(C)C)Nc1nn(C)c(=O)c2cccnc12
|
C13H19N5O 261.329000 |
FBPDZWJBZCWHAV-VIFPVBQESA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM311412; PubChem:CID118928599
|
Local ready
Direct docking supported
|
|
E3L013660
BDB013660
|
US10155764, Example 8B
C[C@H](CN(C)C)Nc1nn(C)c(=O)c2cccnc12
|
C13H19N5O 261.329000 |
FBPDZWJBZCWHAV-SECBINFHSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM311413; PubChem:CID118928598
|
Local ready
Direct docking supported
|