| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L062281
BDB062281
|
BDBM50596500
Cc1ccc(CC(=O)O)cc1OCCC1CCN(c2nc3ccc(Cl)cc3s2)CC1
|
C23H25ClN2O3S 444.984000 |
WWMKSYGAMJOHCB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50596500; PubChem:CID57966530
|
Local ready
Direct docking supported
|
|
E3L062282
BDB062282
|
BDBM50596501
Cc1cc(CC(=O)O)cc(OCCC2CCN(c3nc4ccc(Cl)cc4s3)CC2)c1
|
C23H25ClN2O3S 444.984000 |
ZPVDMEPVFBETQM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50596501; PubChem:CID57967182
|
Local ready
Direct docking supported
|
|
E3L062283
BDB062283
|
BDBM50596502
O=C(O)Cc1ccc(Cl)c(OCCC2CCN(c3nc4ccc(Cl)cc4s3)CC2)c1
|
C22H22Cl2N2O3S 465.402000 |
FUEGDUVTXZWBMT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50596502; PubChem:CID57967022
|
Local ready
Direct docking supported
|
|
E3L062284
BDB062284
|
BDBM50596503
CCc1ccc(CC(=O)O)cc1OCCC1CCN(c2nc3ccc(Cl)cc3s2)CC1
|
C24H27ClN2O3S 459.011000 |
CSDWIBHREUDPME-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50596503; PubChem:CID57967052
|
Local ready
Direct docking supported
|
|
E3L062285
BDB062285
|
BDBM50596504
Cc1ccc(OCCC2CCN(c3nc4ccc(Cl)cc4s3)CC2)cc1CC(=O)O
|
C23H25ClN2O3S 444.984000 |
ACXVPJWIBMHZAF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50596504; PubChem:CID57966710
|
Local ready
Direct docking supported
|
|
E3L062286
BDB062286
|
BDBM50596585
Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2
|
C28H24N6O3 492.539000 |
FMSBJUGTJUGWQX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50596585; PubChem:CID162717042
|
Local ready
Direct docking supported
|
|
E3L062287
BDB062287
|
BDBM50596586
Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)N[C@@H](C)c1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2
|
C31H29N7O4 563.618000 |
KDPQFXRDUUVUMM-FQSKIORSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50596586; PubChem:CID168274064
|
Local ready
Direct docking supported
|
|
E3L062288
BDB062288
|
BDBM50596587
Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)c1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2
|
C29H24N6O4 520.549000 |
LIMLIVTUMOXJTD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50596587; PubChem:CID162717041
|
Local ready
Direct docking supported
|
|
E3L062289
BDB062289
|
BDBM50596588
Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)N[C@H](C)c1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2
|
C31H29N7O4 563.618000 |
KDPQFXRDUUVUMM-WPUOIDIFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50596588; PubChem:CID168292095
|
Local ready
Direct docking supported
|
|
E3L062290
BDB062290
|
BDBM50596589
Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)NC(C)(C)c1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2
|
C32H31N7O4 577.645000 |
OSSMVMKSVHUBNI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50596589; PubChem:CID168269352
|
Local ready
Direct docking supported
|
|
E3L062291
BDB062291
|
BDBM50596590
Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)NC(c1nc3c(C(N)=O)cccc3[nH]1)C(C)C)C(=O)N2
|
C33H33N7O4 591.672000 |
ZYPRPLRGMSHRRW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50596590; PubChem:CID168294648
|
Local ready
Direct docking supported
|
|
E3L062292
BDB062292
|
Parp1/brd4-IN-1
Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(Cc1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2C
|
C29H26N6O3 506.566000 |
JHEWPSFLMCUPRO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50596591; PubChem:CID162717039
|
Local ready
Direct docking supported
|
|
E3L062293
BDB062293
|
BDBM50596592
Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)N[C@@H](C)c1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2C
|
C32H31N7O4 577.645000 |
VVRJJQVKZCGPSG-STFFIMJZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50596592; PubChem:CID168277490
|
Local ready
Direct docking supported
|
|
E3L062294
BDB062294
|
BDBM50596593
Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)N(CC(=O)NCc1nc3c(C(N)=O)cccc3[nH]1)C(=O)N2C
|
C31H29N7O4 563.618000 |
QHEYBDYWUSNRBP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50596593; PubChem:CID162717037
|
Local ready
Direct docking supported
|
|
E3L062295
BDB062295
|
BDBM50596830
CCN1CCN(c2ccc(Nc3ncnc(-c4cccnc4Nc4c(Cl)c(OC)cc(OC)c4Cl)n3)cc2)CC1
|
C28H30Cl2N8O2 581.508000 |
QVPHYLGGPUFPEQ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50596830; PubChem:CID156730485
|
Local ready
Direct docking supported
|
|
E3L062296
BDB062296
|
BDBM50597098
Cn1c(=O)c2c(c3cc(Nc4ccnc(Cl)c4C#N)ccc31)N[C@@H](C1CC1)CCO2
|
C22H20ClN5O2 421.888000 |
YYUZEYWEXPZHOG-MRXNPFEDSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50597098; PubChem:CID146188987
|
Local ready
Direct docking supported
|
|
E3L062297
BDB062297
|
US20230287003, Example 1c
CCC1CCOc2c(c3cc(Nc4ccnc(Cl)c4C#N)ccc3n(C)c2=O)N1
|
C21H20ClN5O2 409.877000 |
AIZFCBGYSFGUNU-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50597099; PubChem:CID146172016
|
Local ready
Direct docking supported
|
|
E3L062298
BDB062298
|
BDBM50597100
Cn1c(=O)c2c(c3cc(Nc4ccnc(Cl)c4C#N)ccc31)NC(C1CC1)CCO2
|
C22H20ClN5O2 421.888000 |
YYUZEYWEXPZHOG-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50597100; PubChem:CID146171934
|
Local ready
Direct docking supported
|
|
E3L062299
BDB062299
|
BDBM50597101
C[C@@H]1CCOc2c(c3cc(Nc4ccnc(Cl)c4C#N)ccc3n(C)c2=O)N1
|
C20H18ClN5O2 395.850000 |
BQTQTNBOKMCWAJ-LLVKDONJSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50597101; PubChem:CID146188986
|
Local ready
Direct docking supported
|
|
E3L062300
BDB062300
|
BDBM50597102
C[C@H]1CCOc2c(c3cc(Nc4ccnc(Cl)c4C#N)ccc3n(C)c2=O)N1
|
C20H18ClN5O2 395.850000 |
BQTQTNBOKMCWAJ-NSHDSACASA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50597102; PubChem:CID146171979
|
Local ready
Direct docking supported
|