Found 26 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360782
(CHEMBL1934513)Show SMILES NC(=O)c1sc2nc(NC3CC3)nc(-c3cc(O)cc(Cl)c3)c2c1N Show InChI InChI=1S/C16H14ClN5O2S/c17-7-3-6(4-9(23)5-7)12-10-11(18)13(14(19)24)25-15(10)22-16(21-12)20-8-1-2-8/h3-5,8,23H,1-2,18H2,(H2,19,24)(H,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360774
(CHEMBL1934647)Show SMILES CC(C)(CO)Nc1nc(-c2cc(O)cc(Cl)c2)c2c(N)c(sc2n1)C(N)=O Show InChI InChI=1S/C17H18ClN5O3S/c1-17(2,6-24)23-16-21-12(7-3-8(18)5-9(25)4-7)10-11(19)13(14(20)26)27-15(10)22-16/h3-5,24-25H,6,19H2,1-2H3,(H2,20,26)(H,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 103 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360779
(CHEMBL1934516)Show SMILES NC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(O)c3F)c2c1N Show InChI InChI=1S/C16H14FN5O2S/c17-10-7(2-1-3-8(10)23)12-9-11(18)13(14(19)24)25-15(9)22-16(21-12)20-6-4-5-6/h1-3,6,23H,4-5,18H2,(H2,19,24)(H,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 111 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360780
(CHEMBL1934515)Show SMILES Cc1ccc(cc1O)-c1nc(NC2CC2)nc2sc(C(N)=O)c(N)c12 Show InChI InChI=1S/C17H17N5O2S/c1-7-2-3-8(6-10(7)23)13-11-12(18)14(15(19)24)25-16(11)22-17(21-13)20-9-4-5-9/h2-3,6,9,23H,4-5,18H2,1H3,(H2,19,24)(H,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 202 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360785
(CHEMBL1934508)Show InChI InChI=1S/C16H15N5O2S/c17-11-10-12(7-2-1-3-9(22)6-7)20-16(19-8-4-5-8)21-15(10)24-13(11)14(18)23/h1-3,6,8,22H,4-5,17H2,(H2,18,23)(H,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 212 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360781
(CHEMBL1934514)Show SMILES NC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)c(O)c3)c2c1N Show InChI InChI=1S/C16H14ClN5O2S/c17-8-4-1-6(5-9(8)23)12-10-11(18)13(14(19)24)25-15(10)22-16(21-12)20-7-2-3-7/h1,4-5,7,23H,2-3,18H2,(H2,19,24)(H,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 271 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360771
(CHEMBL1934650)Show SMILES NC(=O)c1sc2ncnc(-c3cccc(NC(=O)Nc4ccc(cc4)C(F)(F)F)c3)c2c1N Show InChI InChI=1S/C21H15F3N6O2S/c22-21(23,24)11-4-6-12(7-5-11)29-20(32)30-13-3-1-2-10(8-13)16-14-15(25)17(18(26)31)33-19(14)28-9-27-16/h1-9H,25H2,(H2,26,31)(H2,29,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 327 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360773
(CHEMBL1934648)Show SMILES CC(C)(CO)Nc1nc(-c2cccc(O)c2F)c2c(N)c(sc2n1)C(N)=O Show InChI InChI=1S/C17H18FN5O3S/c1-17(2,6-24)23-16-21-12(7-4-3-5-8(25)10(7)18)9-11(19)13(14(20)26)27-15(9)22-16/h3-5,24-25H,6,19H2,1-2H3,(H2,20,26)(H,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 332 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360775
(CHEMBL1934646)Show SMILES NC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(NC(=O)Nc4ccc(cc4)C(F)(F)F)c3)c2c1N Show InChI InChI=1S/C24H20F3N7O2S/c25-24(26,27)12-4-6-14(7-5-12)31-23(36)32-15-3-1-2-11(10-15)18-16-17(28)19(20(29)35)37-21(16)34-22(33-18)30-13-8-9-13/h1-7,10,13H,8-9,28H2,(H2,29,35)(H,30,33,34)(H2,31,32,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 546 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360778
(CHEMBL1934641)Show SMILES COc1cncc(c1)-c1nc(NC2CC2)nc2sc(C(N)=O)c(N)c12 Show InChI InChI=1S/C16H16N6O2S/c1-24-9-4-7(5-19-6-9)12-10-11(17)13(14(18)23)25-15(10)22-16(21-12)20-8-2-3-8/h4-6,8H,2-3,17H2,1H3,(H2,18,23)(H,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 685 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360769
(CHEMBL1934652)Show SMILES COc1cncc(c1)-c1nc(NC(C)(C)CO)nc2sc(C(N)=O)c(N)c12 Show InChI InChI=1S/C17H20N6O3S/c1-17(2,7-24)23-16-21-12(8-4-9(26-3)6-20-5-8)10-11(18)13(14(19)25)27-15(10)22-16/h4-6,24H,7,18H2,1-3H3,(H2,19,25)(H,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360772
(CHEMBL1934649)Show SMILES CC(C)(CO)Nc1nc(-c2cccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)c2)c2c(N)c(sc2n1)C(N)=O Show InChI InChI=1S/C25H24F3N7O3S/c1-24(2,11-36)35-22-33-18(16-17(29)19(20(30)37)39-21(16)34-22)12-4-3-5-15(10-12)32-23(38)31-14-8-6-13(7-9-14)25(26,27)28/h3-10,36H,11,29H2,1-2H3,(H2,30,37)(H2,31,32,38)(H,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360776
(CHEMBL1934645)Show SMILES Cc1ccc(NC(=O)Nc2cccc(c2)-c2nc(NC3CC3)nc3sc(C(N)=O)c(N)c23)cc1 Show InChI InChI=1S/C24H23N7O2S/c1-12-5-7-15(8-6-12)28-24(33)29-16-4-2-3-13(11-16)19-17-18(25)20(21(26)32)34-22(17)31-23(30-19)27-14-9-10-14/h2-8,11,14H,9-10,25H2,1H3,(H2,26,32)(H,27,30,31)(H2,28,29,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360770
(CHEMBL1934651)Show SMILES COc1cncc(c1)-c1nc(N[C@H](C)CO)nc2sc(C(N)=O)c(N)c12 |r| Show InChI InChI=1S/C16H18N6O3S/c1-7(6-23)20-16-21-12(8-3-9(25-2)5-19-4-8)10-11(17)13(14(18)24)26-15(10)22-16/h3-5,7,23H,6,17H2,1-2H3,(H2,18,24)(H,20,21,22)/t7-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360789
(CHEMBL1934503)Show SMILES C[C@H](CO)Nc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(sc2n1)C(N)=O |r| Show InChI InChI=1S/C16H15Cl2N5O2S/c1-6(5-24)21-16-22-12(7-2-3-8(17)9(18)4-7)10-11(19)13(14(20)25)26-15(10)23-16/h2-4,6,24H,5,19H2,1H3,(H2,20,25)(H,21,22,23)/t6-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360794
(CHEMBL1934497)Show SMILES NC(=O)c1sc2nc(NC3CC3)nc(-c3ccc(Cl)c(Cl)c3)c2c1N Show InChI InChI=1S/C16H13Cl2N5OS/c17-8-4-1-6(5-9(8)18)12-10-11(19)13(14(20)24)25-15(10)23-16(22-12)21-7-2-3-7/h1,4-5,7H,2-3,19H2,(H2,20,24)(H,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360787
(CHEMBL1934505)Show SMILES C[C@H](CO)Oc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(sc2n1)C(N)=O |r| Show InChI InChI=1S/C16H14Cl2N4O3S/c1-6(5-23)25-16-21-12(7-2-3-8(17)9(18)4-7)10-11(19)13(14(20)24)26-15(10)22-16/h2-4,6,23H,5,19H2,1H3,(H2,20,24)/t6-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360791
(CHEMBL1934501)Show SMILES NC(=O)c1sc2nc(NCCO)nc(-c3ccc(Cl)c(Cl)c3)c2c1N Show InChI InChI=1S/C15H13Cl2N5O2S/c16-7-2-1-6(5-8(7)17)11-9-10(18)12(13(19)24)25-14(9)22-15(21-11)20-3-4-23/h1-2,5,23H,3-4,18H2,(H2,19,24)(H,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360788
(CHEMBL1934504)Show SMILES CC(C)(CO)Nc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(sc2n1)C(N)=O Show InChI InChI=1S/C17H17Cl2N5O2S/c1-17(2,6-25)24-16-22-12(7-3-4-8(18)9(19)5-7)10-11(20)13(14(21)26)27-15(10)23-16/h3-5,25H,6,20H2,1-2H3,(H2,21,26)(H,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360790
(CHEMBL1934502)Show SMILES NCCNc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(sc2n1)C(N)=O Show InChI InChI=1S/C15H14Cl2N6OS/c16-7-2-1-6(5-8(7)17)11-9-10(19)12(13(20)24)25-14(9)23-15(22-11)21-4-3-18/h1-2,5H,3-4,18-19H2,(H2,20,24)(H,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360777
(CHEMBL1934644)Show SMILES NC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(NC(=O)Nc4ccccc4)c3)c2c1N Show InChI InChI=1S/C23H21N7O2S/c24-17-16-18(29-22(26-14-9-10-14)30-21(16)33-19(17)20(25)31)12-5-4-8-15(11-12)28-23(32)27-13-6-2-1-3-7-13/h1-8,11,14H,9-10,24H2,(H2,25,31)(H,26,29,30)(H2,27,28,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360783
(CHEMBL1934510)Show SMILES COc1cccc(c1)-c1nc(NC2CC2)nc2sc(C(N)=O)c(N)c12 Show InChI InChI=1S/C17H17N5O2S/c1-24-10-4-2-3-8(7-10)13-11-12(18)14(15(19)23)25-16(11)22-17(21-13)20-9-5-6-9/h2-4,7,9H,5-6,18H2,1H3,(H2,19,23)(H,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360784
(CHEMBL1934509)Show InChI InChI=1S/C16H15N5O2S/c17-11-10-12(7-1-5-9(22)6-2-7)20-16(19-8-3-4-8)21-15(10)24-13(11)14(18)23/h1-2,5-6,8,22H,3-4,17H2,(H2,18,23)(H,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360786
(CHEMBL1934506)Show SMILES C[C@H](CO)Cc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(sc2n1)C(N)=O |r| Show InChI InChI=1S/C17H16Cl2N4O2S/c1-7(6-24)4-11-22-14(8-2-3-9(18)10(19)5-8)12-13(20)15(16(21)25)26-17(12)23-11/h2-3,5,7,24H,4,6,20H2,1H3,(H2,21,25)/t7-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360792
(CHEMBL1934499)Show InChI InChI=1S/C13H9Cl2N5OS/c14-5-2-1-4(3-6(5)15)9-7-8(16)10(11(17)21)22-12(7)20-13(18)19-9/h1-3H,16H2,(H2,17,21)(H2,18,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50360793
(CHEMBL1934498)Show InChI InChI=1S/C13H8Cl2N4OS/c14-6-2-1-5(3-7(6)15)10-8-9(16)11(12(17)20)21-13(8)19-4-18-10/h1-4H,16H2,(H2,17,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf in human A375 cells assessed as inhibition of phosphorylation of MEK1/2 by meso scale assay |
Bioorg Med Chem Lett 22: 747-52 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.006
BindingDB Entry DOI: 10.7270/Q26Q1XP7 |
More data for this
Ligand-Target Pair | |
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