| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L022201
BDB022201
|
US11161839, Example 2a
CC(Nc1cc(=O)n(C)c2ccc(Nc3cc(C(=O)O)nc(Cl)c3C#N)cc12)C1CC1
|
C22H20ClN5O3 437.887000 |
XPAZEHNQUQAZRT-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522197; PubChem:CID135385608
|
Local ready
Direct docking supported
|
|
E3L022202
BDB022202
|
US11161839, Example 2b
Cn1c(=O)cc(NC2CC2)c2cc(Nc3cc(C(=O)O)nc(Cl)c3C#N)ccc21
|
C20H16ClN5O3 409.833000 |
LAHABQHWFYENRH-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522199; PubChem:CID135386815
|
Local ready
Direct docking supported
|
|
E3L022203
BDB022203
|
US11161839, Example 1c
CC(Nc1cc(=O)n(CCN2C(=O)CCC2=O)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncccn1
|
C27H23ClN8O3 542.987000 |
FJNMAUPDAPYPMY-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522200; PubChem:CID135386187
|
Local ready
Direct docking supported
|
|
E3L022204
BDB022204
|
US11161839, Example 2c
Cn1c(=O)cc(NC2(C)CC2)c2cc(Nc3cc(C(=O)O)nc(Cl)c3C#N)ccc21
|
C21H18ClN5O3 423.860000 |
XVHYCWSDEHQWIU-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522201; PubChem:CID135385754
|
Local ready
Direct docking supported
|
|
E3L022205
BDB022205
|
US11161839, Example 1d
CC(Nc1cc(=O)n(CC2CCOCC2)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncccn1
|
C27H26ClN7O2 516.005000 |
LPZVYAHDUXTSAF-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522202; PubChem:CID135385793
|
Local ready
Direct docking supported
|
|
E3L022206
BDB022206
|
US11161839, Example 2d
Cn1c(=O)cc(NC2(C)CCCC2)c2cc(Nc3cc(C(=O)O)nc(Cl)c3C#N)ccc21
|
C23H22ClN5O3 451.914000 |
LOWCNGIEILAZSQ-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522203; PubChem:CID135385963
|
Local ready
Direct docking supported
|
|
E3L022207
BDB022207
|
US11161839, Example 1e
CC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1nc[nH]n1
|
C20H17ClN8O 420.864000 |
BMQGBNJYFMNIFS-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522204; PubChem:CID135385471
|
Local ready
Direct docking supported
|
|
E3L022208
BDB022208
|
US11161839, Example 3a
CC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)C(=O)NCc1cnn(C)c1
|
C24H23ClN8O2 490.955000 |
OMXNCIYGLQZOHU-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522205; PubChem:CID135385965
|
Local ready
Direct docking supported
|
|
E3L022209
BDB022209
|
BDBM522206
Cn1c(=O)cc(N[C@H]2C[C@H](O)C2)c2cc(Nc3ccnc(Cl)c3C#N)ccc21
|
C20H18ClN5O2 395.850000 |
IHIRVVVOHNLINV-JOCQHMNTSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM522206
|
Local ready
Direct docking supported
|
|
E3L022210
BDB022210
|
US11161839, Example 3b
C[C@@H](Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)C(=O)NCCO
|
C21H21ClN6O3 440.891000 |
GOZYWZBQJIJLQF-GFCCVEGCSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522207; PubChem:CID135386735
|
Local ready
Direct docking supported
|
|
E3L022211
BDB022211
|
US11161839, Example 1g
Cn1c(=O)cc(N[C@H]2CCOC2)c2cc(Nc3ccnc(Cl)c3C#N)ccc21
|
C20H18ClN5O2 395.850000 |
VKAXDUQPBDPGOC-ZDUSSCGKSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522208; PubChem:CID135385568
|
Local ready
Direct docking supported
|
|
E3L022212
BDB022212
|
US11161839, Example 3c
Cc1n[nH]c(C(C)Nc2cc(=O)n(C)c3ccc(Nc4ccnc(Cl)c4C#N)cc23)n1
|
C21H19ClN8O 434.891000 |
UCAWAKBLRICYIB-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522209; PubChem:CID135385331
|
Local ready
Direct docking supported
|
|
E3L022213
BDB022213
|
US11161839, Example 1h
Cc1nc(C(C)Nc2cc(=O)n(C)c3ccc(Nc4ccnc(Cl)c4C#N)cc23)no1
|
C21H18ClN7O2 435.875000 |
IGVHYSBPCAROGK-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522210; PubChem:CID135385952
|
Local ready
Direct docking supported
|
|
E3L022214
BDB022214
|
US11161839, Example 3d
C[C@@H](Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)C(=O)NC1CCCC1
|
C24H25ClN6O2 464.957000 |
HFXLBWNSMJYTRE-CQSZACIVSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522211; PubChem:CID135386564
|
Local ready
Direct docking supported
|
|
E3L022215
BDB022215
|
US11161839, Example 1i
Cc1ccnc(C(C)Nc2cc(=O)n(C)c3ccc(Nc4ccnc(Cl)c4C#N)cc23)n1
|
C23H20ClN7O 445.914000 |
VGCQBODNUOZOIB-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522212; PubChem:CID135387455
|
Local ready
Direct docking supported
|
|
E3L022216
BDB022216
|
US11161839, Example 3e
COCCNC(=O)[C@@H](C)Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12
|
C22H23ClN6O3 454.918000 |
HOIRYVQAFGTJBV-CYBMUJFWSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522213; PubChem:CID135385600
|
Local ready
Direct docking supported
|
|
E3L022217
BDB022217
|
US11161839, Example 1j
CC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1cnccn1
|
C22H18ClN7O 431.887000 |
QLMDWPKIOMOMPN-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522214; PubChem:CID135387457
|
Local ready
Direct docking supported
|
|
E3L022218
BDB022218
|
US11161839, Example 3f
C#CCCNC(=O)[C@@H](C)Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12
|
C23H21ClN6O2 448.914000 |
FBCYZGKJPAIXLB-CQSZACIVSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522215; PubChem:CID135385811
|
Local ready
Direct docking supported
|
|
E3L022219
BDB022219
|
US11161839, Example 1k
CC(CCO)Nc1nc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12
|
C19H19ClN6O2 398.854000 |
VBTCDAMRIYVRLS-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522216; PubChem:CID135386403
|
Local ready
Direct docking supported
|
|
E3L022220
BDB022220
|
US11161839, Example 3g
C[C@@H](CO)Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12
|
C19H18ClN5O2 383.839000 |
GHOQATHOBSWRBO-NSHDSACASA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522217; PubChem:CID135387036
|
Local ready
Direct docking supported
|