| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056941
BDB056941
|
BDBM50456438
CC(C)(Oc1ccc(C(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1)C(=O)O
|
C24H18O6 402.402000 |
RPBBYNCCUZQDHT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50456438; PubChem:CID141511167
|
Local ready
Direct docking supported
|
|
E3L056942
BDB056942
|
BDBM50456440
CC1=NN(c2ccc(C(=O)NCCOCCOCC(=O)NCCC(=O)Nc3cn(C)c(C(=O)Nc4cc(C(=O)Nc5cn(C)c(C(=O)Nc6cn(C)c(C(=O)NCCCC(=O)Nc7cc(C(=O)Nc8cc(C(=O)Nc9cc(C(=O)Nc%10cc(C(=O)NCCCN(C)C)n(C)c%10)n(C)c9)n(C)c8)n(C)c7)n6)n5)n(C)c4)n3)cc2)C(=O)/C1=C/c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1
|
C87H99N27O18 1810.920000 |
ODRLSIWCIVYFCR-HIJXTXFJSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50456440
|
Local ready
Direct docking supported
|
|
E3L056943
BDB056943
|
BDBM50456441
CC1=NN(c2ccc(C(=O)NCCOCCOCC(=O)NCCC(=O)Nc3cc(C(=O)Nc4cn(C)c(C(=O)Nc5cn(C)c(C(=O)Nc6cc(C(=O)NCCCC(=O)Nc7cc(C(=O)Nc8cc(C(=O)Nc9cc(C(=O)Nc%10cc(C(=O)NCCCN(C)C)n(C)c%10)n(C)c9)n(C)c8)n(C)c7)n(C)c6)n5)n4)n(C)c3)cc2)C(=O)/C1=C/c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1
|
C88H100N26O18 1809.932000 |
ZFKYSPKYIQSBMZ-XIWOYQDNSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50456441
|
Local ready
Direct docking supported
|
|
E3L056944
BDB056944
|
BDBM50456442
CC1=NN(c2ccc(C(=O)NCCC(=O)NCCC(=O)Nc3cc(C(=O)Nc4cn(C)c(C(=O)Nc5cn(C)c(C(=O)Nc6cc(C(=O)NCCCC(=O)Nc7cc(C(=O)Nc8cc(C(=O)Nc9cc(C(=O)Nc%10cc(C(=O)NCCCN(C)C)n(C)c%10)n(C)c9)n(C)c8)n(C)c7)n(C)c6)n5)n4)n(C)c3)cc2)C(=O)/C1=C/c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1
|
C85H94N26O16 1735.853000 |
FFZMTTXYBKODDR-RWWFOJABSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50456442
|
Local ready
Direct docking supported
|
|
E3L056945
BDB056945
|
BDBM50456443
CC1=NN(c2ccc(C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)Nc3cc(C(=O)Nc4cn(C)c(C(=O)Nc5cn(C)c(C(=O)Nc6cc(C(=O)NCCCC(=O)Nc7cc(C(=O)Nc8cc(C(=O)Nc9cc(C(=O)Nc%10cc(C(=O)NCCCN(C)C)n(C)c%10)n(C)c9)n(C)c8)n(C)c7)n(C)c6)n5)n4)n(C)c3)cc2)C(=O)/C1=C/c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1
|
C91H106N26O20 1884.011000 |
XTOPVFVFNKDVHL-NCDVPGOZSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50456443
|
Local ready
Direct docking supported
|
|
E3L056946
BDB056946
|
C646
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1
|
C24H19N3O6 445.431000 |
HEKJYZZSCQBJGB-XDHOZWIPSA-N | Q09472, Q92793 | Histone acetyltransferase p300, CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50456444; PubChem:CID1285940
|
Local ready
Direct docking supported
|
|
E3L056947
BDB056947
|
1-(4-Methoxybenzoyl)-1H-benzotriazole
COc1ccc(C(=O)n2nnc3ccccc32)cc1
|
C14H11N3O2 253.261000 |
OKOYDWMLPIMUMO-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50457201; PubChem:CID710644
|
Local ready
Direct docking supported
|
|
E3L056948
BDB056948
|
BDBM50457202
COc1ccc(C(=O)n2nc(-c3cccnc3)nc2N)cc1OC
|
C16H15N5O3 325.328000 |
TXTSSGLLPOYFAL-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50457202; PubChem:CID970336
|
Local ready
Direct docking supported
|
|
E3L056949
BDB056949
|
BDBM50457203
Nc1nc(-c2cccnc2)nn1C(=O)c1ccccc1
|
C14H11N5O 265.276000 |
OTIFHPVRAWSQPU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50457203; PubChem:CID3613559
|
Local ready
Direct docking supported
|
|
E3L056950
BDB056950
|
BDBM50457204
Nc1nc(-c2cccnc2)nn1C(=O)c1cccc([N+](=O)[O-])c1
|
C14H10N6O3 310.273000 |
DQZVZHJKNWSKMT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50457204; PubChem:CID8072667
|
Local ready
Direct docking supported
|
|
E3L056951
BDB056951
|
1-(4-Bromobenzoyl)-1h-1,2,3-benzotriazole
O=C(c1ccc(Br)cc1)n1nnc2ccccc21
|
C13H8BrN3O 302.131000 |
HJPNHGVNYCBIIB-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50457205; PubChem:CID693001
|
Local ready
Direct docking supported
|
|
E3L056952
BDB056952
|
BDBM50457206
COc1ccc(C(=O)n2nc(-c3cccnc3)nc2N)cc1
|
C15H13N5O2 295.302000 |
AKDDPMDJFJJCDW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50457206; PubChem:CID971729
|
Local ready
Direct docking supported
|
|
E3L056953
BDB056953
|
BDBM50457207
COc1cccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1
|
C17H13N3O 275.311000 |
RDSCFLMCSMCAAM-UKTHLTGXSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50457207; PubChem:CID5769082
|
Local ready
Direct docking supported
|
|
E3L056954
BDB056954
|
BDBM50457208
COC(=O)c1ccc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc1
|
C19H15N3O2 317.348000 |
KXXOZUYRZVMOIJ-XNTDXEJSSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50457208; PubChem:CID5769514
|
Local ready
Direct docking supported
|
|
E3L056955
BDB056955
|
alpha-(Phenylmethylene)-1H-benzimidazole-2-acetonitrile
N#C/C(=C\c1ccccc1)c1nc2ccccc2[nH]1
|
C16H11N3 245.285000 |
YASZPDZHYPEICO-JLHYYAGUSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50457209; PubChem:CID5463326
|
Local ready
Direct docking supported
|
|
E3L056956
BDB056956
|
BDBM50457210
Cc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1
|
C17H13N3 259.312000 |
KMNSBYJUTHMOPK-GXDHUFHOSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50457210; PubChem:CID5711085
|
Local ready
Direct docking supported
|
|
E3L056957
BDB056957
|
(3,5-dimethyl-1H-pyrazol-1-yl)(furan-2-yl)methanone
Cc1cc(C)n(C(=O)c2ccco2)n1
|
C10H10N2O2 190.202000 |
LLJSRUPSMPLORG-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50457211; PubChem:CID786123
|
Local ready
Direct docking supported
|
|
E3L056958
BDB056958
|
Benzotriazol-1-YL-(3-nitro-phenyl)-methanone
O=C(c1cccc([N+](=O)[O-])c1)n1nnc2ccccc21
|
C13H8N4O3 268.232000 |
MXXZHDYGAKNXLA-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50457212; PubChem:CID710710
|
Local ready
Direct docking supported
|
|
E3L056959
BDB056959
|
1-(2-Furoyl)-1H-benzotriazole
O=C(c1ccco1)n1nnc2ccccc21
|
C11H7N3O2 213.196000 |
AFORMRZDGRLVBW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50457213; PubChem:CID792914
|
Local ready
Direct docking supported
|
|
E3L056960
BDB056960
|
1H-benzotriazol-1-yl(3,5-dimethoxyphenyl)methanone
COc1cc(OC)cc(C(=O)n2nnc3ccccc32)c1
|
C15H13N3O3 283.287000 |
FLQDVGKWMLKXAW-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50457214; PubChem:CID743712
|
Local ready
Direct docking supported
|