| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049441
BDB049441
|
BDBM50239360
O=S(=O)(Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1)c1cc(F)c(Br)cc1F
|
C21H11BrCl2F2N2O3S 560.203000 |
IMNDKCZZKHFDEJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50239360; PubChem:CID126970815
|
Local ready
Direct docking supported
|
|
E3L049442
BDB049442
|
BDBM50239361
Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)c(Oc3cnc4ccccc4c3)c(Cl)c2)c(C)c1
|
C24H20Cl2N2O3S 487.408000 |
IBWGNBZJPNEUQF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50239361; PubChem:CID137637447
|
Local ready
Direct docking supported
|
|
E3L049443
BDB049443
|
BDBM50239362
O=C1CCc2cc3cc(c2N1Cc1ccccc1)OC/C=C/CO[C@H]1C[C@@H](CO)N(C1)c1cc(n2ncc(Cl)c2n1)N3
|
C31H31ClN6O4 587.080000 |
AFKBQOSFOXILAT-SYUVZMNCSA-N | P41182, Q05516 | Zinc finger and BTB domain-containing protein 16, B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM50239362
|
Local ready
Direct docking supported
|
|
E3L049444
BDB049444
|
BDBM50239363
N#Cc1cnn2c3cc(nc12)N1C[C@H](C[C@H]1CO)OC/C=C/COc1cc(cc2c1NC(=O)CC2)N3
|
C25H25N7O4 487.520000 |
SABLEOBBNNRHAD-WNJMFGOSSA-N | P41182, Q05516 | B-cell lymphoma 6 protein, Zinc finger and BTB domain-containing protein 16 |
BindingDB
BindingDB:BDBM50239363
|
Local ready
Direct docking supported
|
|
E3L049445
BDB049445
|
BDBM50239364
CN1C(=O)CCc2cc3cc(c21)OC/C=C/CO[C@H]1C[C@@H](CO)N(C1)c1cc(n2ncc(Cl)c2n1)N3
|
C25H27ClN6O4 510.982000 |
QRERFNICIICVTE-QLVMYSCWSA-N | P41182, Q05516 | B-cell lymphoma 6 protein, Zinc finger and BTB domain-containing protein 16 |
BindingDB
BindingDB:BDBM50239364
|
Local ready
Direct docking supported
|
|
E3L049446
BDB049446
|
BDBM50239365
O=C1CCc2cc3cc(c2N1CC1CC1)OC/C=C/CO[C@H]1C[C@@H](CO)N(C1)c1cc(n2ncc(Cl)c2n1)N3
|
C28H31ClN6O4 551.047000 |
CVYOHWBMGSIMET-AJLPNKGSSA-N | P41182, Q05516 | Zinc finger and BTB domain-containing protein 16, B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM50239365
|
Local ready
Direct docking supported
|
|
E3L049447
BDB049447
|
BDBM50239366
O=C(O)C[C@@H]1C[C@H]2CN1c1cc(n3ncc(Cl)c3n1)Nc1cc3c(c(c1)OC/C=C/CO2)N(CC1CC(F)(F)C1)C(=O)CC3
|
C30H31ClF2N6O5 629.064000 |
IYJZPSSUGKQBIM-AJLPNKGSSA-N | P41182, Q05516 | Zinc finger and BTB domain-containing protein 16, B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM50239366
|
Local ready
Direct docking supported
|
|
E3L049448
BDB049448
|
BDBM50239367
O=C1CCc2cc3cc(c2N1CCCN1CCOCC1)OC/C=C/CO[C@H]1C[C@@H](CO)N(C1)c1cc(n2ncc(Cl)c2n1)N3
|
C31H38ClN7O5 624.142000 |
JJAULVYQLOLUDN-DRYSHGSZSA-N | P41182, Q05516 | B-cell lymphoma 6 protein, Zinc finger and BTB domain-containing protein 16 |
BindingDB
BindingDB:BDBM50239367
|
Local ready
Direct docking supported
|
|
E3L049449
BDB049449
|
BDBM50239368
COc1cccc(CN2C(=O)CCc3cc4cc(c32)OC/C=C/CO[C@H]2C[C@@H](CO)N(C2)c2cc(n3ncc(C#N)c3n2)N4)c1
|
C33H33N7O5 607.671000 |
VITPQBKTOKJUOO-RVZKJJCTSA-N | P41182, Q05516 | B-cell lymphoma 6 protein, Zinc finger and BTB domain-containing protein 16 |
BindingDB
BindingDB:BDBM50239368
|
Local ready
Direct docking supported
|
|
E3L049450
BDB049450
|
BDBM50239369
Cc1ccccc1CN1C(=O)CCc2cc3cc(c21)OC/C=C/CO[C@H]1C[C@@H](CO)N(C1)c1cc(n2ncc(Cl)c2n1)N3
|
C32H33ClN6O4 601.107000 |
QVZYMLHIWNRHJH-AXJLXYLLSA-N | P41182, Q05516 | Zinc finger and BTB domain-containing protein 16, B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM50239369
|
Local ready
Direct docking supported
|
|
E3L049451
BDB049451
|
BDBM50239379
Cc1ccc(CN2C(=O)CCc3cc4cc(c32)OC/C=C/CO[C@H]2C[C@@H](CO)N(C2)c2cc(n3ncc(Cl)c3n2)N4)cc1
|
C32H33ClN6O4 601.107000 |
ZIMJUFXTVRWAEU-PTVJGBQLSA-N | P41182, Q05516 | B-cell lymphoma 6 protein, Zinc finger and BTB domain-containing protein 16 |
BindingDB
BindingDB:BDBM50239379
|
Local ready
Direct docking supported
|
|
E3L049452
BDB049452
|
BDBM50239380
O=C1CCc2cc3cc(c2N1Cc1ccncc1)OC/C=C/CO[C@H]1C[C@@H](CO)N(C1)c1cc(n2ncc(Cl)c2n1)N3
|
C30H30ClN7O4 588.068000 |
UXCKQZCMUNKJGW-SFGZBRNMSA-N | P41182, Q05516 | B-cell lymphoma 6 protein, Zinc finger and BTB domain-containing protein 16 |
BindingDB
BindingDB:BDBM50239380
|
Local ready
Direct docking supported
|
|
E3L049453
BDB049453
|
BDBM50239383
O=C1CCc2cc3cc(c2N1CC1CC(F)(F)C1)OC/C=C/CO[C@H]1C[C@@H](CO)N(C1)c1cc(n2ncc(Cl)c2n1)N3
|
C29H31ClF2N6O4 601.054000 |
FCTYRSMTSONLAX-AJLPNKGSSA-N | P41182, Q05516 | B-cell lymphoma 6 protein, Zinc finger and BTB domain-containing protein 16 |
BindingDB
BindingDB:BDBM50239383
|
Local ready
Direct docking supported
|
|
E3L049454
BDB049454
|
BDBM50239385
COc1cccc(CN2C(=O)CCc3cc4cc(c32)OC/C=C/CO[C@H]2C[C@@H](CO)N(C2)c2cc(n3ncc(Cl)c3n2)N4)c1
|
C32H33ClN6O5 617.106000 |
QUTCDOJKEIYLAL-ZPRFHTKYSA-N | P41182, Q05516 | B-cell lymphoma 6 protein, Zinc finger and BTB domain-containing protein 16 |
BindingDB
BindingDB:BDBM50239385
|
Local ready
Direct docking supported
|
|
E3L049455
BDB049455
|
BDBM50239386
O=C1CCc2cc3cc(c2N1)OCCCCO[C@H]1C[C@@H](CO)N(C1)c1cc(n2nccc2n1)N3
|
C24H28N6O4 464.526000 |
NPJLBTOWTCQVCX-ROUUACIJSA-N | P41182, Q05516 | Zinc finger and BTB domain-containing protein 16, B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM50239386
|
Local ready
Direct docking supported
|
|
E3L049456
BDB049456
|
BDBM50239388
N#Cc1cnn2c3cc(nc12)N1C[C@H](C[C@H]1CO)OCCCCOc1cc(cc2c1NC(=O)CC2)N3
|
C25H27N7O4 489.536000 |
QIZQEWVSJQPVSX-OALUTQOASA-N | P41182, Q05516 | Zinc finger and BTB domain-containing protein 16, B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM50239388
|
Local ready
Direct docking supported
|
|
E3L049457
BDB049457
|
BDBM50239393
N#Cc1cnn2c3cc(nc12)N1CC[C@@H](C1)OCCCCOc1cc(cc2c1NC(=O)CC2)N3
|
C24H25N7O3 459.510000 |
SASZUXRNQTXQCM-SFHVURJKSA-N | P41182, Q05516 | B-cell lymphoma 6 protein, Zinc finger and BTB domain-containing protein 16 |
BindingDB, PubChem
BindingDB:BDBM50239393; PubChem:CID137646364
|
Local ready
Direct docking supported
|
|
E3L049458
BDB049458
|
BDBM50239394
O=C1CCc2cc3cc(c2N1)OCCCCO[C@H]1C[C@@H](CO)N(C1)c1cc(n2ncc(Cl)c2n1)N3
|
C24H27ClN6O4 498.971000 |
CWLCSZMPZYMVMY-IRXDYDNUSA-N | P41182, Q05516 | Zinc finger and BTB domain-containing protein 16, B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM50239394
|
Local ready
Direct docking supported
|
|
E3L049459
BDB049459
|
BDBM50239395
O=C(O)CCN1C(=O)/C(=C2/C(=O)Nc3ccc(Cl)cc32)SC1=S
|
C14H9ClN2O4S2 368.823000 |
VISHSGZPGQKEFX-KHPPLWFESA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM50239395
|
Local ready
Direct docking supported
|
|
E3L049460
BDB049460
|
BDBM50239396
O=C1CCc2cc3cc(c2N1)OC/C=C/CO[C@H]1C[C@@H](CO)N(C1)c1cc(n2ncc(Cl)c2n1)N3
|
C24H25ClN6O4 496.955000 |
GHUUAHYHOFNSRK-BCGROGQWSA-N | P41182, Q05516 | B-cell lymphoma 6 protein, Zinc finger and BTB domain-containing protein 16 |
BindingDB
BindingDB:BDBM50239396
|
Local ready
Direct docking supported
|