| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031961
BDB031961
|
BDBM636732
CC/C(=C(/c1ccc(OCCCOCCN2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1)c1ccc2[nH]ncc2c1)c1ccc(Cl)cc1F
|
C48H45ClF2N6O4 843.375000 |
NUHZJIJDJJVSKK-AKESWDMGSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM636732
|
Local ready
Direct docking supported
|
|
E3L031962
BDB031962
|
BDBM636781
CNS(=O)(=O)Nc1cccc(Oc2c(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)n(C)c(=O)c2C)c1OC
|
C25H27FIN5O6S 671.489000 |
AMTUDIPQCKAGPF-UHFFFAOYSA-N | Q13233 | Serine/threonine-protein kinase B-raf, RAF proto-oncogene serine/threonine-protein kinase |
BindingDB, PubChem
BindingDB:BDBM636781; PubChem:CID169552191
|
Local ready
Direct docking supported
|
|
E3L031963
BDB031963
|
BDBM636782
CNS(=O)(=O)Nc1cccc(Oc2c(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)n(C)c(=O)c2C)c1Cl
|
C24H24ClFIN5O5S 675.908000 |
RDFUWPLPCIAPFU-UHFFFAOYSA-N | Q13233 | Serine/threonine-protein kinase B-raf, RAF proto-oncogene serine/threonine-protein kinase |
BindingDB, PubChem
BindingDB:BDBM636782; PubChem:CID169552192
|
Local ready
Direct docking supported
|
|
E3L031964
BDB031964
|
BDBM636783
CNS(=O)(=O)Nc1cccc(Oc2c(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)n(C)c(=O)c2C)c1C
|
C25H27FIN5O5S 655.490000 |
JMLWBDQBPAQURD-UHFFFAOYSA-N | Q13233 | Serine/threonine-protein kinase B-raf |
BindingDB, PubChem
BindingDB:BDBM636783; PubChem:CID169552193
|
Local ready
Direct docking supported
|
|
E3L031965
BDB031965
|
BDBM636784
CNS(=O)(=O)Nc1cccc(Oc2c(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)n(C)c(=O)c2C)c1F
|
C24H24F2IN5O5S 659.453000 |
SCVNXAQVTKOGML-UHFFFAOYSA-N | Q13233 | Serine/threonine-protein kinase B-raf |
BindingDB, PubChem
BindingDB:BDBM636784; PubChem:CID169552194
|
Local ready
Direct docking supported
|
|
E3L031966
BDB031966
|
BDBM636785
CNS(=O)(=O)Nc1cccc(Oc2c(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)n(C)c(=O)c2C)c1
|
C24H25FIN5O5S 641.463000 |
YBURZFXXWCTGRG-UHFFFAOYSA-N | Q13233 | Serine/threonine-protein kinase B-raf |
BindingDB, PubChem
BindingDB:BDBM636785; PubChem:CID169552195
|
Local ready
Direct docking supported
|
|
E3L031967
BDB031967
|
BDBM636786
Cc1c(Oc2cccc(NS(N)(=O)=O)c2)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O
|
C23H23FIN5O5S 627.436000 |
QYFYELRFZFHUHN-UHFFFAOYSA-N | Q13233 | Serine/threonine-protein kinase B-raf |
BindingDB, PubChem
BindingDB:BDBM636786; PubChem:CID169552196
|
Local ready
Direct docking supported
|
|
E3L031968
BDB031968
|
BDBM636787
Cc1c(Oc2cccc(N=[S@@](C)(N)=O)c2)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O
|
C24H25FIN5O4S 625.464000 |
XTLFLWJOTUBJJP-PSXMRANNSA-N | Q13233 | Serine/threonine-protein kinase B-raf |
BindingDB
BindingDB:BDBM636787
|
Local ready
Direct docking supported
|
|
E3L031969
BDB031969
|
BDBM636788
Cc1c(Oc2cccc(N=[S@](C)(N)=O)c2)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O
|
C24H25FIN5O4S 625.464000 |
XTLFLWJOTUBJJP-BHVANESWSA-N | Q13233 | Serine/threonine-protein kinase B-raf |
BindingDB
BindingDB:BDBM636788
|
Local ready
Direct docking supported
|
|
E3L031970
BDB031970
|
BDBM636790
Cc1c(Nc2ccc3c(c2)CNS(=O)(=O)N3)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O
|
C24H24FIN6O4S 638.463000 |
LWRQUQJZNIZOCC-UHFFFAOYSA-N | Q13233 | Serine/threonine-protein kinase B-raf |
BindingDB, PubChem
BindingDB:BDBM636790; PubChem:CID169552198
|
Local ready
Direct docking supported
|
|
E3L031971
BDB031971
|
BDBM636791
CNS(=O)(=O)Nc1cc(F)cc(Oc2c(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)n(C)c(=O)c2C)c1
|
C24H24F2IN5O5S 659.453000 |
GFLAZPYYZBXKRW-UHFFFAOYSA-N | Q13233 | Serine/threonine-protein kinase B-raf |
BindingDB, PubChem
BindingDB:BDBM636791; PubChem:CID169552199
|
Local ready
Direct docking supported
|
|
E3L031972
BDB031972
|
BDBM636792
Cc1c(Oc2cccc(CS(=O)(=O)N(C)C)c2)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O
|
C26H28FIN4O5S 654.502000 |
QOXNQLJHSAQLLZ-UHFFFAOYSA-N | Q13233 | Serine/threonine-protein kinase B-raf |
BindingDB, PubChem
BindingDB:BDBM636792; PubChem:CID169552200
|
Local ready
Direct docking supported
|
|
E3L031973
BDB031973
|
BDBM636793
CNS(=O)(=O)n1ccc2c(Oc3c(C(=O)NC4CC4)c(Nc4ccc(I)cc4F)n(C)c(=O)c3C)cccc21
|
C26H25FIN5O5S 665.485000 |
YIKAMUVIVNTTMB-UHFFFAOYSA-N | Q13233 | Serine/threonine-protein kinase B-raf |
BindingDB, PubChem
BindingDB:BDBM636793; PubChem:CID169552201
|
Local ready
Direct docking supported
|
|
E3L031974
BDB031974
|
BDBM636795
Cc1c(Oc2ccc3c(c2)NS(=O)(=O)NC3)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O
|
C24H23FIN5O5S 639.447000 |
RLHTYPCXMLGUHM-UHFFFAOYSA-N | Q13233 | Serine/threonine-protein kinase B-raf |
BindingDB, PubChem
BindingDB:BDBM636795; PubChem:CID169552203
|
Local ready
Direct docking supported
|
|
E3L031975
BDB031975
|
BDBM636796
CNS(=O)(=O)Nc1cc(Cl)cc(Oc2c(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)n(C)c(=O)c2C)c1
|
C24H24ClFIN5O5S 675.908000 |
PWVIPJCHFBMPAD-UHFFFAOYSA-N | Q13233 | Serine/threonine-protein kinase B-raf |
BindingDB, PubChem
BindingDB:BDBM636796; PubChem:CID169552204
|
Local ready
Direct docking supported
|
|
E3L031976
BDB031976
|
BDBM636797
CNS(=O)(=O)Nc1cc(Oc2c(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)n(C)c(=O)c2C)ccc1F
|
C24H24F2IN5O5S 659.453000 |
MSCFRHXIUKJPMN-UHFFFAOYSA-N | Q13233 | Serine/threonine-protein kinase B-raf |
BindingDB, PubChem
BindingDB:BDBM636797; PubChem:CID169552205
|
Local ready
Direct docking supported
|
|
E3L031977
BDB031977
|
BDBM636798
Cc1c(Oc2cccc(CS(N)(=O)=O)c2)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O
|
C24H24FIN4O5S 626.448000 |
CJGJTUFSIUIASB-UHFFFAOYSA-N | Q13233 | Serine/threonine-protein kinase B-raf |
BindingDB, PubChem
BindingDB:BDBM636798; PubChem:CID169552206
|
Local ready
Direct docking supported
|
|
E3L031978
BDB031978
|
BDBM636799
Cc1c(Oc2ccc3c(c2)CNS(=O)(=O)N3)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O
|
C24H23FIN5O5S 639.447000 |
ADLMABHUCIKWKV-UHFFFAOYSA-N | Q13233 | Serine/threonine-protein kinase B-raf |
BindingDB, PubChem
BindingDB:BDBM636799; PubChem:CID169552207
|
Local ready
Direct docking supported
|
|
E3L031979
BDB031979
|
BDBM636800
Cc1c(Oc2ccc3c(c2)CN(C)S(=O)(=O)N3)c(C(=O)NC2CC2)c(Nc2ccc(I)cc2F)n(C)c1=O
|
C25H25FIN5O5S 653.474000 |
VRPJWZGZNNHACX-UHFFFAOYSA-N | Q13233 | Serine/threonine-protein kinase B-raf |
BindingDB, PubChem
BindingDB:BDBM636800; PubChem:CID169552208
|
Local ready
Direct docking supported
|
|
E3L031980
BDB031980
|
BDBM636801
CNS(=O)(=O)Nc1ccc(F)c(Oc2c(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)n(C)c(=O)c2C)c1
|
C24H24F2IN5O5S 659.453000 |
YSXYWTWNEZMOOW-UHFFFAOYSA-N | Q13233 | Serine/threonine-protein kinase B-raf |
BindingDB, PubChem
BindingDB:BDBM636801; PubChem:CID169552209
|
Local ready
Direct docking supported
|