| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L061801
BDB061801
|
BDBM50586856
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3OC)nc2N1Cc1ccc(C)s1
|
C30H30N8O3S 582.690000 |
HRDZYPGUYLQDHG-JOCHJYFZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586856; PubChem:CID166629873
|
Local ready
Direct docking supported
|
|
E3L061802
BDB061802
|
BDBM50586857
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3OC)nc2N1Cc1ccccc1
|
C31H30N8O3 562.634000 |
KGCNKBUTFBWCRS-HSZRJFAPSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586857; PubChem:CID166627787
|
Local ready
Direct docking supported
|
|
E3L061803
BDB061803
|
BDBM50586858
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3OC)nc2N1Cc1cccc(C(F)(F)F)c1
|
C32H29F3N8O3 630.631000 |
PJCCURFGKZJMHU-HSZRJFAPSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586858; PubChem:CID166626778
|
Local ready
Direct docking supported
|
|
E3L061804
BDB061804
|
BDBM50586859
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3OC)nc2N1Cc1ccc(OC)cc1OC
|
C33H34N8O5 622.686000 |
DTPCIHKNYGCNQV-XMMPIXPASA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586859; PubChem:CID166635858
|
Local ready
Direct docking supported
|
|
E3L061805
BDB061805
|
BDBM50586860
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3)nc2N1C1CCCC1
|
C28H30N8O2 510.602000 |
LAKYTXYAGBFERQ-OAQYLSRUSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586860; PubChem:CID166634732
|
Local ready
Direct docking supported
|
|
E3L061806
BDB061806
|
BDBM50586861
CCOc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)ccc1Nc1ncc2c(n1)N(C1CCCC1)[C@H](CC)C(=O)N2C
|
C30H34N8O3 554.655000 |
CEEKXOGEUVTDDR-JOCHJYFZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586861; PubChem:CID166631411
|
Local ready
Direct docking supported
|
|
E3L061807
BDB061807
|
BDBM50586862
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3OC(C)C)nc2N1C1CCCC1
|
C31H36N8O3 568.682000 |
SZWZBLTWUJCMSR-HSZRJFAPSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586862; PubChem:CID166629867
|
Local ready
Direct docking supported
|
|
E3L061808
BDB061808
|
BDBM50586863
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3OC3CCCC3)nc2N1C1CCCC1
|
C33H38N8O3 594.720000 |
COHGSPHRICZCTB-RUZDIDTESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586863; PubChem:CID166632745
|
Local ready
Direct docking supported
|
|
E3L061809
BDB061809
|
BDBM50586864
COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)ccc1Nc1ncc2c(n1)N(C1CCCC1)[C@H](C)C(=O)N2C
|
C28H30N8O3 526.601000 |
AHLUXFFYVNFYEN-OAHLLOKOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586864; PubChem:CID166633151
|
Local ready
Direct docking supported
|
|
E3L061810
BDB061810
|
PARP/BRD4 inhibitor III-16
CC[C@@H]1C(=O)N(C)c2cnc(N(C)c3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3OC)nc2N1C1CCCC1
|
C30H34N8O3 554.655000 |
HDFQNQPMGAHQTL-OAQYLSRUSA-N | P09874, Q09472 | Histone acetyltransferase p300, Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586865; PubChem:CID166633451
|
Local ready
Direct docking supported
|
|
E3L061811
BDB061811
|
BDBM50586866
COc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)ccc1N(C)c1ncc2c(n1)N(C1CCCC1)[C@H](C)C(=O)N2C
|
C29H32N8O3 540.628000 |
SOKIJBHBGDDEGH-MRXNPFEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586866; PubChem:CID166633926
|
Local ready
Direct docking supported
|
|
E3L061812
BDB061812
|
BDBM50586867
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(Cc4nc5c(C(N)=O)cccc5[nH]4)cc3OC)nc2N1C1CCCC1
|
C30H34N8O3 554.655000 |
RTVLFJXYETXJBN-JOCHJYFZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586867; PubChem:CID166634540
|
Local ready
Direct docking supported
|
|
E3L061813
BDB061813
|
BDBM50586868
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NCc4nc5c(C(N)=O)cccc5[nH]4)cc3OC)nc2N1C1CCCC1
|
C31H35N9O4 597.680000 |
KXIWZPLTJFWCLG-JOCHJYFZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586868; PubChem:CID166631585
|
Local ready
Direct docking supported
|
|
E3L061814
BDB061814
|
BDBM50586869
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(CC(=O)NCc4nc5c(C(N)=O)cccc5[nH]4)cc3OC)nc2N1C1CCCC1
|
C32H37N9O4 611.707000 |
PTKGBRUVUGNNDZ-HSZRJFAPSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586869; PubChem:CID166630716
|
Local ready
Direct docking supported
|
|
E3L061815
BDB061815
|
BDBM50586870
CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(C)c4nc5c(C(N)=O)cccc5[nH]4)cc3OC)nc2N1C1CCCC1
|
C31H36N8O3 568.682000 |
HVFWNIHAHFERFC-IRCUZVAFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586870; PubChem:CID166631202
|
Local ready
Direct docking supported
|
|
E3L061816
BDB061816
|
BDBM50586871
CC[C@@H]1C(=O)N(C)c2cnc(Nc3cccc(-c4nc5c(C(N)=O)cccc5[nH]4)c3)nc2N1C1CCCC1
|
C28H30N8O2 510.602000 |
FHRBCXAUBZDLIY-OAQYLSRUSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50586871; PubChem:CID166636223
|
Local ready
Direct docking supported
|
|
E3L061817
BDB061817
|
BDBM50586921
O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2Cc1ccccc1
|
C23H18F3N3O2 425.410000 |
VAEOQKKZUWWMTJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50586921; PubChem:CID166631240
|
Local ready
Direct docking supported
|
|
E3L061818
BDB061818
|
BDBM50586922
O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2CC1CCCCC1
|
C23H24F3N3O2 431.458000 |
PCANUEBDFNBUDW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50586922; PubChem:CID166630330
|
Local ready
Direct docking supported
|
|
E3L061819
BDB061819
|
BDBM50586925
O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2Cc1cccc(F)c1
|
C23H17F4N3O2 443.400000 |
PKHIMIGQVSUHBN-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50586925; PubChem:CID166630689
|
Local ready
Direct docking supported
|
|
E3L061820
BDB061820
|
BDBM50586927
O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)[nH]c(=O)n2Cc1cc(F)cc(F)c1
|
C23H16F5N3O2 461.390000 |
KDNXIJSEWOBTKX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50586927; PubChem:CID166626519
|
Local ready
Direct docking supported
|