| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051501
BDB051501
|
BDBM50303719
COc1ccc(C2(c3cccc(-c4cccnc4)c3)N=C(N)N(C)C2=O)cc1C
|
C23H22N4O2 386.455000 |
TWVGNKMRZLBNOD-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50303719; PubChem:CID11516577
|
Local ready
Direct docking supported
|
|
E3L051502
BDB051502
|
BDBM50303727
COc1ccc([C@]2(c3ccc(F)c(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cc1C
|
C23H20F2N4O2 422.435000 |
JIBQVJZSWQNHLX-HSZRJFAPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50303727; PubChem:CID45488105
|
Local ready
Direct docking supported
|
|
E3L051503
BDB051503
|
BDBM50303734
COc1ccc([C@]2(C34CC5CC(CC(C5)C3)C4)N=C(N)N(C)C2=O)cc1C
|
C22H29N3O2 367.493000 |
HZIOSWLCMNAEBB-RCRNZYILSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50303734; PubChem:CID45488104
|
Local ready
Direct docking supported
|
|
E3L051504
BDB051504
|
BDBM50303739
COc1ccc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc1C
|
C22H21N5O2 387.443000 |
NJDRPIPNXBADEH-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50303739; PubChem:CID11668187
|
Local ready
Direct docking supported
|
|
E3L051505
BDB051505
|
BDBM50303743
CN1C(=O)C(c2ccc(OC(F)(F)F)cc2)(c2cc(F)cc(-c3cncnc3)c2)N=C1N
|
C21H15F4N5O2 445.376000 |
SWJSIMOUBCDDJW-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50303743; PubChem:CID45488107
|
Local ready
Direct docking supported
|
|
E3L051506
BDB051506
|
BDBM50303748
COc1ccc([C@]2(C34CC5CC(CC(C5)C3)C4)N=C(N)N(C)C2=O)cc1
|
C21H27N3O2 353.466000 |
BGCGXOOJJMGOQV-CPGUEHHYSA-N | P00797, Q9BQA1 | Renin, Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50303748; PubChem:CID45488098
|
Local ready
Direct docking supported
|
|
E3L051507
BDB051507
|
BDBM50303760
COc1ccc([C@@]2(C34CC5CC(CC(C5)C3)C4)N=C(N)N(C)C2=O)cc1
|
C21H27N3O2 353.466000 |
BGCGXOOJJMGOQV-GEYGSZSDSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50303760; PubChem:CID45488099
|
Local ready
Direct docking supported
|
|
E3L051508
BDB051508
|
4-(Dimethylamino)naphthalen-1-ol
CN(C)c1ccc(O)c2ccccc12
|
C12H13NO 187.242000 |
QTXDOZVNRMLLPN-UHFFFAOYSA-N | Q09472, Q92831 | Histone acetyltransferase KAT2B, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50303931; PubChem:CID17995458
|
Local ready
Direct docking supported
|
|
E3L051509
BDB051509
|
4-Methoxynaphthalen-1-amine
COc1ccc(N)c2ccccc12
|
C11H11NO 173.215000 |
JVMUPDOMGALPOW-UHFFFAOYSA-N | Q09472, Q92831 | Histone acetyltransferase KAT2B, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50303938; PubChem:CID11074644
|
Local ready
Direct docking supported
|
|
E3L051510
BDB051510
|
BDBM50303986
CCCc1nc2c(C)cccc2n1CCOc1ccc(CC(C)(Oc2ccccc2)C(=O)OCC)cc1
|
C31H36N2O4 500.639000 |
JLNDFPWHZBHHAB-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50303986; PubChem:CID45488162
|
Local ready
Direct docking supported
|
|
E3L051511
BDB051511
|
Benzenepropanoic acid
O=C(O)CCc1ccccc1
|
C9H10O2 150.177000 |
XMIIGOLPHOKFCH-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50304072; PubChem:CID107
|
Local ready
Direct docking supported
|
|
E3L051512
BDB051512
|
BDBM50304193
COc1cc(-c2nc3ccccc3s2)ccc1Nc1ncnc2cc(OCCCN3CCN(C)CC3)c(OC)cc12
|
C31H34N6O3S 570.719000 |
DCKMTGBFLNPJPS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304193; PubChem:CID46225597
|
Local ready
Direct docking supported
|
|
E3L051513
BDB051513
|
BDBM50304194
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)cc3F)ncnc2cc1OCCCN1CCN(C)CC1
|
C30H31FN6O2S 558.683000 |
ZEXJBANGHOAHDZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304194; PubChem:CID46225634
|
Local ready
Direct docking supported
|
|
E3L051514
BDB051514
|
BDBM50304195
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(O)c3)ncnc2cc1OCCCN1CCN(C)CC1
|
C30H32N6O3S 556.692000 |
NQHMMDRPRXVCLT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304195; PubChem:CID135428921
|
Local ready
Direct docking supported
|
|
E3L051515
BDB051515
|
BDBM50304196
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)ncnc2cc1OCCCN1CCN(C)CC1
|
C31H34N6O3S 570.719000 |
UJBJAMOSBBJZBK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304196; PubChem:CID46225657
|
Local ready
Direct docking supported
|
|
E3L051516
BDB051516
|
BDBM50304197
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(F)c3)ncnc2cc1OCCCN1CCN(C)CC1
|
C30H31FN6O2S 558.683000 |
ZUXFIRWLAQBCCS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304197; PubChem:CID46225663
|
Local ready
Direct docking supported
|
|
E3L051517
BDB051517
|
BDBM50304198
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1
|
C30H31ClN6O2S 575.138000 |
SRNHAKVSFVSSPN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304198; PubChem:CID46225610
|
Local ready
Direct docking supported
|
|
E3L051518
BDB051518
|
BDBM50304199
COc1cc2c(Nc3ccc(-c4nc5ccc(F)cc5s4)cc3)ncnc2cc1OCCCN1CCN(C)CC1
|
C30H31FN6O2S 558.683000 |
KBJCTAIADOTYHC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304199; PubChem:CID46225647
|
Local ready
Direct docking supported
|
|
E3L051519
BDB051519
|
BDBM50304200
COc1cc2c(Nc3ccc(-c4nc5cc(Cl)ccc5s4)cc3)ncnc2cc1OCCCN1CCN(C)CC1
|
C30H31ClN6O2S 575.138000 |
NACVPONJWZPHAP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304200; PubChem:CID46225665
|
Local ready
Direct docking supported
|
|
E3L051520
BDB051520
|
BDBM50304201
COc1cc2c(Nc3ccc(-c4nc5cc(C(F)(F)F)ccc5s4)cc3)ncnc2cc1OCCCN1CCN(C)CC1
|
C31H31F3N6O2S 608.690000 |
PIQNNSKBFMKWGB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304201; PubChem:CID46225666
|
Local ready
Direct docking supported
|