| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L015801
BDB015801
|
US10202360, Example 350
CCCCS(=O)(=O)Nc1cc(-c2ccc(=O)n(C)c2)nc(Oc2c(F)ccc(F)c2C)n1
|
C21H22F2N4O4S 464.494000 |
CCXWTFIQYYQKGH-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM345805; PubChem:CID132032995
|
Local ready
Direct docking supported
|
|
E3L015802
BDB015802
|
US10202360, Example 351
CCC(C)S(=O)(=O)Nc1cc(-c2ccc(=O)n(C)c2)nc(Oc2c(F)ccc(F)c2C)n1
|
C21H22F2N4O4S 464.494000 |
HGJCWXVVHQZSNE-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM345806; PubChem:CID132033366
|
Local ready
Direct docking supported
|
|
E3L015803
BDB015803
|
US10202360, Example 352
CCCCS(=O)(=O)Nc1nc(Oc2c(C)cccc2F)nc(-c2ccc(=O)n(C)c2)c1F
|
C21H22F2N4O4S 464.494000 |
KGGXAPSVYZFFDH-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM345807; PubChem:CID132033142
|
Local ready
Direct docking supported
|
|
E3L015804
BDB015804
|
US10202360, Example 353
CCCCS(=O)(=O)Nc1cc(-c2ccc(=O)n(C)c2)nc(OC2CCOCC2)n1
|
C19H26N4O5S 422.507000 |
VHAMMZUXLMXACG-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM345808; PubChem:CID132033223
|
Local ready
Direct docking supported
|
|
E3L015805
BDB015805
|
US10202360, Example 354
CCCS(=O)(=O)Nc1cc(-c2ccc(=O)n(C)c2)nc(OC2CCOCC2)n1
|
C18H24N4O5S 408.480000 |
YLCWSCRQMRSOAB-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM345809; PubChem:CID132033329
|
Local ready
Direct docking supported
|
|
E3L015806
BDB015806
|
US10202360, Example 355
CC(C)Oc1nc(NS(=O)(=O)c2ccccc2)cc(-c2ccc(=O)n(C)c2)n1
|
C19H20N4O4S 400.460000 |
BMMDGPWKMVAKRG-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM345810; PubChem:CID132033618
|
Local ready
Direct docking supported
|
|
E3L015807
BDB015807
|
US10202360, Example 356
Cn1cc(-c2cc3nc(n2)Oc2cccc(c2)OCC=CCCS(=O)(=O)N3)ccc1=O
|
C21H20N4O5S 440.481000 |
IUYXFKDJKDPFMM-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM345811; PubChem:CID132028467
|
Local ready
Direct docking supported
|
|
E3L015808
BDB015808
|
US10202360, Example 357
Cn1cc(-c2cc3nc(n2)Oc2cccc(c2)OCCCCCS(=O)(=O)N3)ccc1=O
|
C21H22N4O5S 442.497000 |
YGPLKSUVGNFQOA-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM345812; PubChem:CID132028468
|
Local ready
Direct docking supported
|
|
E3L015809
BDB015809
|
US10202360, Example 358
Cn1cc(-c2cc3nc(n2)Oc2cccc(c2)OCCC=CCCS(=O)(=O)N3)ccc1=O
|
C22H22N4O5S 454.508000 |
WIGNPOYJJYISSH-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM345813; PubChem:CID138961806
|
Local ready
Direct docking supported
|
|
E3L015810
BDB015810
|
US10202360, Example 359
Cn1cc(-c2cc3nc(n2)Oc2cccc(c2)OCCCCCCS(=O)(=O)N3)ccc1=O
|
C22H24N4O5S 456.524000 |
YTEUSNAYOLNVLT-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM345814; PubChem:CID132032978
|
Local ready
Direct docking supported
|
|
E3L015811
BDB015811
|
US10202360, Example 360
Cn1cc(-c2cc3nc(n2)Oc2cc(Cl)cc(c2Cl)OC/C=C\CCS(=O)(=O)N3)ccc1=O
|
C21H18Cl2N4O5S 509.371000 |
RWDYCTJSDGLAFY-IHWYPQMZSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM345815; PubChem:CID138961807
|
Local ready
Direct docking supported
|
|
E3L015812
BDB015812
|
US10202360, Example 361
Cn1cc(-c2cc3nc(n2)Oc2cc(Cl)cc(c2Cl)OCC/C=C/CCS(=O)(=O)N3)ccc1=O
|
C22H20Cl2N4O5S 523.398000 |
ZNVGWLIINSAYND-NSCUHMNNSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM345816; PubChem:CID138961808
|
Local ready
Direct docking supported
|
|
E3L015813
BDB015813
|
US10202360, Example 362
Cn1cc(-c2cc3nc(n2)Oc2cc(Cl)cc(c2Cl)OCCCCCCS(=O)(=O)N3)ccc1=O
|
C22H22Cl2N4O5S 525.414000 |
XEEFBRHRUCWJOX-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM345817; PubChem:CID138961809
|
Local ready
Direct docking supported
|
|
E3L015814
BDB015814
|
BDBM347289
CC[C@H](C)[C@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1cnc(C)nc1N
|
C40H64N8O7 769.001000 |
IFDIEWUFDUXFBT-PBWGIQFFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM347289
|
Local ready
Direct docking supported
|
|
E3L015815
BDB015815
|
BDBM347290
CC[C@H](C)[C@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@H](C(=O)OC)C(C)C
|
C40H67N5O9 762.002000 |
NLMQIDMXAWAXKA-BKLUCDBQSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM347290
|
Local ready
Direct docking supported
|
|
E3L015816
BDB015816
|
BDBM347291
CC(C)[C@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NCCc1ccccc1
|
C34H40F3N3O5 627.704000 |
RZYDFYGCBKMZSB-OLWNVYNHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM347291; PubChem:CID86582483
|
Local ready
Direct docking supported
|
|
E3L015817
BDB015817
|
BDBM347292
COc1ccc(OC(F)(F)F)cc1CC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NCCc1ccccc1)C(C)C
|
C35H42F3N3O6 657.730000 |
BVYNJOYUTUHWGM-DWDWHFOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM347292; PubChem:CID86582484
|
Local ready
Direct docking supported
|
|
E3L015818
BDB015818
|
BDBM347293
COc1ccc(CC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CCC(=O)NCCc2ccccc2)C(C)C)cc1OC
|
C35H45N3O6 603.760000 |
AVTQWOWAUGDVNN-DMUKBKCISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM347293; PubChem:CID86582485
|
Local ready
Direct docking supported
|
|
E3L015819
BDB015819
|
BDBM347294
CC(C)[C@H](NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NCCc1ccccc1
|
C39H45N3O5 635.805000 |
XYAYYQIRKHBGAI-XFKJAIHHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM347294; PubChem:CID86582486
|
Local ready
Direct docking supported
|
|
E3L015820
BDB015820
|
BDBM347295
COc1ccc(CC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CCC(=O)NCCc2ccccc2)C(C)C)cc1
|
C34H43N3O5 573.734000 |
AQBYLIOZAYOMAG-NGCAANIMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM347295; PubChem:CID86582644
|
Local ready
Direct docking supported
|