| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L060821
BDB060821
|
BDBM50569197
Cc1c(CN2CCN(C(=O)c3cc4cccc(C(N)=O)c4o3)CC2)sc2c(N3CCOCC3)nc(-c3cccc4[nH]ncc34)nc12
|
C33H32N8O4S 636.738000 |
YUVLMYMBEWNHPA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50569197; PubChem:CID164611873
|
Local ready
Direct docking supported
|
|
E3L060822
BDB060822
|
BDBM50569198
Cc1c(CN2CCN(C(=O)c3cc4cccc(C(N)=O)c4o3)CC2)sc2c(N3CCOCC3)nc(-c3ccc4cn[nH]c4c3)nc12
|
C33H32N8O4S 636.738000 |
GRIJQLQVZRHMRU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50569198; PubChem:CID164628434
|
Local ready
Direct docking supported
|
|
E3L060823
BDB060823
|
BDBM50569199
Cc1c(CN2CCN(C(=O)c3cc4cccc(C(N)=O)c4o3)CC2)sc2c(N3CCOCC3)nc(-c3cccc4[nH]ccc34)nc12
|
C34H33N7O4S 635.750000 |
SDRKZXYEQNMFTG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50569199; PubChem:CID164612094
|
Local ready
Direct docking supported
|
|
E3L060824
BDB060824
|
BDBM50569200
Cc1c(CN2CCN(C(=O)c3cc4cccc(C(N)=O)c4o3)CC2)sc2c(N3CCOCC3)nc(-c3ccc4[nH]ccc4c3)nc12
|
C34H33N7O4S 635.750000 |
GAJKENOPSPMRCK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50569200; PubChem:CID164612688
|
Local ready
Direct docking supported
|
|
E3L060825
BDB060825
|
BDBM50569201
Cc1c(CN2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12
|
C36H35FN10O3S 706.808000 |
FEAZPCVGCIRWDR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50569201
|
Local ready
Direct docking supported
|
|
E3L060826
BDB060826
|
BDBM50569202
Nc1ncc(-c2nc(N3CCOCC3)c3sc(CN4CCN(C(=O)c5cc(Cc6n[nH]c(=O)c7ccccc67)ccc5F)CC4)cc3n2)cn1
|
C35H33FN10O3S 692.781000 |
ZMBBXGKYRZNGTQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50569202; PubChem:CID164610509
|
Local ready
Direct docking supported
|
|
E3L060827
BDB060827
|
BDBM50569203
Cc1c(CN2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nc12
|
C38H35F4N9O3S 773.817000 |
IEZRNQOKFRKCBG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50569203
|
Local ready
Direct docking supported
|
|
E3L060828
BDB060828
|
5-Phenyl-s-triazole-3-thiol
Sc1n[nH]c(-c2ccccc2)n1
|
C8H7N3S 177.232000 |
JRLMMJNORORYPO-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50569304; PubChem:CID698268
|
Local ready
Direct docking supported
|
|
E3L060829
BDB060829
|
5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
Cc1ccccc1-c1nnc(S)[nH]1
|
C9H9N3S 191.259000 |
SMHIAXYYNWVQCY-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50569305; PubChem:CID726995
|
Local ready
Direct docking supported
|
|
E3L060830
BDB060830
|
5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Fc1ccccc1-c1nnc(S)[nH]1
|
C8H6FN3S 195.222000 |
UOUUROSHCZTVFN-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50569306; PubChem:CID838365
|
Local ready
Direct docking supported
|
|
E3L060831
BDB060831
|
5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Sc1n[nH]c(-c2ccccc2Cl)n1
|
C8H6ClN3S 211.677000 |
QYWRKNBGNJZYLS-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50569307; PubChem:CID679485
|
Local ready
Direct docking supported
|
|
E3L060832
BDB060832
|
5-(2-Bromo-phenyl)-4H-[1,2,4]triazole-3-thiol
Sc1n[nH]c(-c2ccccc2Br)n1
|
C8H6BrN3S 256.128000 |
SVLYSRWJOIGDAY-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50569308; PubChem:CID820004
|
Local ready
Direct docking supported
|
|
E3L060833
BDB060833
|
BDBM50569309
COc1ccccc1-c1nnc(S)[nH]1
|
C9H9N3OS 207.258000 |
UZISKSHYDXJAKY-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50569309; PubChem:CID927247
|
Local ready
Direct docking supported
|
|
E3L060834
BDB060834
|
2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol
Oc1ccccc1-c1nnc(S)[nH]1
|
C8H7N3OS 193.231000 |
CCAJTTYNVNCKDV-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50569310; PubChem:CID693307
|
Local ready
Direct docking supported
|
|
E3L060835
BDB060835
|
3-(2-Aminophenyl)-4H-1,2,4-triazole-5-thiol
Nc1ccccc1-c1nnc(S)[nH]1
|
C8H8N4S 192.247000 |
ZDDFXJUKACZJTP-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50569311; PubChem:CID3446511
|
Local ready
Direct docking supported
|
|
E3L060836
BDB060836
|
5-(2-Phenylphenyl)-1,2-dihydro-1,2,4-triazole-3-thione
Sc1nnc(-c2ccccc2-c2ccccc2)[nH]1
|
C14H11N3S 253.330000 |
CSDCNXJRLZQRMZ-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50569312; PubChem:CID164617665
|
Local ready
Direct docking supported
|
|
E3L060837
BDB060837
|
BDBM50569313
Sc1n[nH]c(-c2cccc(Br)c2)n1
|
C8H6BrN3S 256.128000 |
ALETZOQAGIEADS-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50569313; PubChem:CID676286
|
Local ready
Direct docking supported
|
|
E3L060838
BDB060838
|
5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
COc1cccc(-c2nnc(S)[nH]2)c1
|
C9H9N3OS 207.258000 |
RTTMZCCBDAJGRW-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50569314; PubChem:CID12190356
|
Local ready
Direct docking supported
|
|
E3L060839
BDB060839
|
5-(3-Aminophenyl)-1,2-dihydro-1,2,4-triazole-3-thione
Nc1cccc(-c2nnc(S)[nH]2)c1
|
C8H8N4S 192.247000 |
PSSOZXQCNBGEJE-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50569315; PubChem:CID164628788
|
Local ready
Direct docking supported
|
|
E3L060840
BDB060840
|
BDBM50569316
O=S(=O)(c1cccc(-c2nnc(S)[nH]2)c1)N1CCOCC1
|
C12H14N4O3S2 326.403000 |
OVSJQTLOBDVQBO-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM50569316; PubChem:CID164621516
|
Local ready
Direct docking supported
|