| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017721
BDB017721
|
BDBM419841
O=c1[nH]c2cc(CN3CCN(c4ccc(Cl)cn4)CC3)cc(F)c2c2c1CCCN2
|
C22H23ClFN5O 427.911000 |
SKNWKWMXEYWOSA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419841; PubChem:CID124134675
|
Local ready
Direct docking supported
|
|
E3L017722
BDB017722
|
BDBM419842
N#Cc1ccc(N2CCN(Cc3cc(F)c4c5c(c(=O)[nH]c4c3)CCCN5)CC2)cn1
|
C23H23FN6O 418.476000 |
RAPGQTWOPCNSEJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419842; PubChem:CID124134676
|
Local ready
Direct docking supported
|
|
E3L017723
BDB017723
|
BDBM419843
O=c1[nH]c2cc(CN3CCN(c4ccc(Cl)nn4)CC3)cc(F)c2c2c1CCCN2
|
C21H22ClFN6O 428.899000 |
NRDDMPIVXPOIMZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419843; PubChem:CID124134678
|
Local ready
Direct docking supported
|
|
E3L017724
BDB017724
|
BDBM419844
N#Cc1ccc(N2CCN(Cc3cc(F)c4c5c(c(=O)[nH]c4c3)CCCN5)CC2)nn1
|
C22H22FN7O 419.464000 |
JQJGYBASPJXNIJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419844; PubChem:CID124134677
|
Local ready
Direct docking supported
|
|
E3L017725
BDB017725
|
BDBM419845
N#Cc1ccc(N2CCN(Cc3cc(F)c4c5c(c(=O)[nH]c4c3)CCCN5)CC2)s1
|
C22H22FN5OS 423.517000 |
BRHAGWRGTMVKQA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419845; PubChem:CID124134789
|
Local ready
Direct docking supported
|
|
E3L017726
BDB017726
|
BDBM419846
N#Cc1ccc(N2CC3CCC(C2)N3Cc2cc(F)c3c4c(c(=O)[nH]c3c2)CCCN4)nc1
|
C25H25FN6O 444.514000 |
HGJVONCBQFKWRI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419846; PubChem:CID124134788
|
Local ready
Direct docking supported
|
|
E3L017727
BDB017727
|
BDBM419847
COc1cc(C#N)ccc1N1CCN(Cc2cc(F)c3c4c(c(=O)[nH]c3c2)CCCN4)CC1
|
C25H26FN5O2 447.514000 |
WEKCQPVMVKJTQD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419847; PubChem:CID124134790
|
Local ready
Direct docking supported
|
|
E3L017728
BDB017728
|
BDBM419849
N#Cc1ccc(N2CCN(C(=O)c3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)nc1
|
C23H22N6O2 414.469000 |
XGFMLKJENFANEN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419849; PubChem:CID124134894
|
Local ready
Direct docking supported
|
|
E3L017729
BDB017729
|
BDBM419850
N#Cc1csc(N2CCN(C(=O)c3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)n1
|
C21H20N6O2S 420.498000 |
GWJWBXXEWCBTSU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419850; PubChem:CID124134881
|
Local ready
Direct docking supported
|
|
E3L017730
BDB017730
|
BDBM419851
N#Cc1cnc(N2CCN(C(=O)c3ccc4c5c(c(=O)[nH]c4c3)CCCN5)CC2)s1
|
C21H20N6O2S 420.498000 |
TWZQEBQCXWLACN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM419851; PubChem:CID124134890
|
Local ready
Direct docking supported
|
|
E3L017731
BDB017731
|
BDBM420308
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Br)cc(NC(C)C)c1C
|
C21H28BrN3O2 434.378000 |
GSLUZKJWVUIMTB-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM420308; PubChem:CID72550395
|
Local ready
Direct docking supported
|
|
E3L017732
BDB017732
|
BDBM420310
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C)CC3)nc2)cc(NC(C)C)c1C
|
C31H42N6O2 530.717000 |
BUADPKQHLDXMLK-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM420310; PubChem:CID72550612
|
Local ready
Direct docking supported
|
|
E3L017733
BDB017733
|
BDBM420312
Cc1cc(Cc2ccccc2)c(CNC(=O)c2cc(Br)cc(NC(C)C)c2C)c(=O)[nH]1
|
C25H28BrN3O2 482.422000 |
SNUWAWGCYPMRAZ-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM420312; PubChem:CID118046951
|
Local ready
Direct docking supported
|
|
E3L017734
BDB017734
|
BDBM420316
Cc1cc(C)c(CNC(=O)c2cc(Cl)cc(OC(C)C)c2Cl)c(=O)[nH]1
|
C18H20Cl2N2O3 383.275000 |
BQIRDGDOTJKBAB-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM420316; PubChem:CID89905880
|
Local ready
Direct docking supported
|
|
E3L017735
BDB017735
|
BDBM420317
CCC(C)Oc1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
|
C20H25BrN2O3 421.335000 |
SNTYGHZZSSTUQD-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM420317; PubChem:CID72165221
|
Local ready
Direct docking supported
|
|
E3L017736
BDB017736
|
BDBM420319
Cc1cc(C)c(CNC(=O)c2cc(Cl)cc(NC(C)CO)c2C)c(=O)[nH]1
|
C19H24ClN3O3 377.872000 |
ACFSELABMAJBKA-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM420319; PubChem:CID89905794
|
Local ready
Direct docking supported
|
|
E3L017737
BDB017737
|
US10508086, Example 14
CC1(NS(=O)(=O)c2ccc3c(c2)N(C(=O)CN2CCOC2=O)CC3)CC1
|
C17H21N3O5S 379.438000 |
QMHBFTDPSONVFY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM421423; PubChem:CID121415856
|
Local ready
Direct docking supported
|
|
E3L017738
BDB017738
|
US10508086, Example 73
Cc1nnc(-n2c(=O)n(Cc3ccc(F)cc3)c3ccc(S(=O)(=O)NC4(C)CC4)cc32)s1
|
C21H20FN5O3S2 473.555000 |
LQKYFGQCPMYDCJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM421482; PubChem:CID121415919
|
Local ready
Direct docking supported
|
|
E3L017739
BDB017739
|
US10508086, Example 79
Cn1c(=O)n(-c2nnc(C(F)F)s2)c2cc(S(=O)(=O)NC3(C)CC3)ccc21
|
C15H15F2N5O3S2 415.447000 |
VORVEMPBDAPGDR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM421488; PubChem:CID121416063
|
Local ready
Direct docking supported
|
|
E3L017740
BDB017740
|
US10508086, Example 82
Cc1nnc(-n2c(=O)n(CC3CC3)c3ccc(S(=O)(=O)NC4(C)CC4)cc32)s1
|
C18H21N5O3S2 419.532000 |
ASRAPKGFINDMMP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM421492; PubChem:CID121416023
|
Local ready
Direct docking supported
|