Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50004604 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)) | BDBM50484695
(CHEMBL1939073)Show SMILES FCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C4CC4)c3c2)c1Cl Show InChI InChI=1S/C19H18ClF2N5O3S/c20-16-14(27-31(29,30)7-1-6-21)5-4-13(22)15(16)19(28)24-11-8-12-17(10-2-3-10)25-26-18(12)23-9-11/h4-5,8-10,27H,1-3,6-7H2,(H,24,28)(H,23,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description
Inhibition of full-length B-Raf V600E mutant |
Bioorg Med Chem Lett 22: 912-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.030
BindingDB Entry DOI: 10.7270/Q2MP5648 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50484231
(CHEMBL1822068)Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F Show InChI InChI=1S/C17H17ClFN5O4S/c1-3-6-29(26,27)24-12-5-4-11(18)13(14(12)19)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description
Inhibition of full-length B-Raf V600E mutant |
Bioorg Med Chem Lett 22: 912-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.030
BindingDB Entry DOI: 10.7270/Q2MP5648 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50484693
(CHEMBL1939072)Show SMILES CC(C)CS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C4CC4)c3c2)c1Cl Show InChI InChI=1S/C20H21ClFN5O3S/c1-10(2)9-31(29,30)27-15-6-5-14(22)16(17(15)21)20(28)24-12-7-13-18(11-3-4-11)25-26-19(13)23-8-12/h5-8,10-11,27H,3-4,9H2,1-2H3,(H,24,28)(H,23,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description
Inhibition of full-length B-Raf V600E mutant |
Bioorg Med Chem Lett 22: 912-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.030
BindingDB Entry DOI: 10.7270/Q2MP5648 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50484697
(CHEMBL1939068)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1Cl Show InChI InChI=1S/C17H17ClFN5O4S/c1-3-6-29(26,27)24-12-5-4-11(19)13(14(12)18)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description
Inhibition of full-length B-Raf V600E mutant |
Bioorg Med Chem Lett 22: 912-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.030
BindingDB Entry DOI: 10.7270/Q2MP5648 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50484694
(CHEMBL1939070)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C4CC4)c3c2)c1F Show InChI InChI=1S/C19H19F2N5O3S/c1-2-7-30(28,29)26-14-6-5-13(20)15(16(14)21)19(27)23-11-8-12-17(10-3-4-10)24-25-18(12)22-9-11/h5-6,8-10,26H,2-4,7H2,1H3,(H,23,27)(H,22,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description
Inhibition of full-length B-Raf V600E mutant |
Bioorg Med Chem Lett 22: 912-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.030
BindingDB Entry DOI: 10.7270/Q2MP5648 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50484696
(CHEMBL1939071)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C4CC4)c3c2)c1Cl Show InChI InChI=1S/C19H19ClFN5O3S/c1-2-7-30(28,29)26-14-6-5-13(21)15(16(14)20)19(27)23-11-8-12-17(10-3-4-10)24-25-18(12)22-9-11/h5-6,8-10,26H,2-4,7H2,1H3,(H,23,27)(H,22,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description
Inhibition of full-length B-Raf V600E mutant |
Bioorg Med Chem Lett 22: 912-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.030
BindingDB Entry DOI: 10.7270/Q2MP5648 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50484234
(CHEMBL1822067)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F Show InChI InChI=1S/C17H17F2N5O4S/c1-3-6-29(26,27)24-12-5-4-11(18)13(14(12)19)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description
Inhibition of full-length B-Raf V600E mutant |
Bioorg Med Chem Lett 22: 912-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.030
BindingDB Entry DOI: 10.7270/Q2MP5648 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50484692
(CHEMBL1939069)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C(C)C)c3c2)c1F Show InChI InChI=1S/C19H21F2N5O3S/c1-4-7-30(28,29)26-14-6-5-13(20)15(16(14)21)19(27)23-11-8-12-17(10(2)3)24-25-18(12)22-9-11/h5-6,8-10,26H,4,7H2,1-3H3,(H,23,27)(H,22,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description
Inhibition of full-length B-Raf V600E mutant |
Bioorg Med Chem Lett 22: 912-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.030
BindingDB Entry DOI: 10.7270/Q2MP5648 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50484693
(CHEMBL1939072)Show SMILES CC(C)CS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C4CC4)c3c2)c1Cl Show InChI InChI=1S/C20H21ClFN5O3S/c1-10(2)9-31(29,30)27-15-6-5-14(22)16(17(15)21)20(28)24-12-7-13-18(11-3-4-11)25-26-19(13)23-8-12/h5-8,10-11,27H,3-4,9H2,1-2H3,(H,24,28)(H,23,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells |
Bioorg Med Chem Lett 22: 912-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.030
BindingDB Entry DOI: 10.7270/Q2MP5648 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50484697
(CHEMBL1939068)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1Cl Show InChI InChI=1S/C17H17ClFN5O4S/c1-3-6-29(26,27)24-12-5-4-11(19)13(14(12)18)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells |
Bioorg Med Chem Lett 22: 912-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.030
BindingDB Entry DOI: 10.7270/Q2MP5648 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50484234
(CHEMBL1822067)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F Show InChI InChI=1S/C17H17F2N5O4S/c1-3-6-29(26,27)24-12-5-4-11(18)13(14(12)19)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells |
Bioorg Med Chem Lett 22: 912-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.030
BindingDB Entry DOI: 10.7270/Q2MP5648 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50484231
(CHEMBL1822068)Show SMILES CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F Show InChI InChI=1S/C17H17ClFN5O4S/c1-3-6-29(26,27)24-12-5-4-11(18)13(14(12)19)16(25)21-9-7-10-15(20-8-9)22-23-17(10)28-2/h4-5,7-8,24H,3,6H2,1-2H3,(H,21,25)(H,20,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells |
Bioorg Med Chem Lett 22: 912-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.030
BindingDB Entry DOI: 10.7270/Q2MP5648 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50484694
(CHEMBL1939070)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C4CC4)c3c2)c1F Show InChI InChI=1S/C19H19F2N5O3S/c1-2-7-30(28,29)26-14-6-5-13(20)15(16(14)21)19(27)23-11-8-12-17(10-3-4-10)24-25-18(12)22-9-11/h5-6,8-10,26H,2-4,7H2,1H3,(H,23,27)(H,22,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells |
Bioorg Med Chem Lett 22: 912-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.030
BindingDB Entry DOI: 10.7270/Q2MP5648 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50484696
(CHEMBL1939071)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C4CC4)c3c2)c1Cl Show InChI InChI=1S/C19H19ClFN5O3S/c1-2-7-30(28,29)26-14-6-5-13(21)15(16(14)20)19(27)23-11-8-12-17(10-3-4-10)24-25-18(12)22-9-11/h5-6,8-10,26H,2-4,7H2,1H3,(H,23,27)(H,22,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells |
Bioorg Med Chem Lett 22: 912-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.030
BindingDB Entry DOI: 10.7270/Q2MP5648 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50484695
(CHEMBL1939073)Show SMILES FCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C4CC4)c3c2)c1Cl Show InChI InChI=1S/C19H18ClF2N5O3S/c20-16-14(27-31(29,30)7-1-6-21)5-4-13(22)15(16)19(28)24-11-8-12-17(10-2-3-10)25-26-18(12)23-9-11/h4-5,8-10,27H,1-3,6-7H2,(H,24,28)(H,23,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells |
Bioorg Med Chem Lett 22: 912-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.030
BindingDB Entry DOI: 10.7270/Q2MP5648 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50484692
(CHEMBL1939069)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C(C)C)c3c2)c1F Show InChI InChI=1S/C19H21F2N5O3S/c1-4-7-30(28,29)26-14-6-5-13(20)15(16(14)21)19(27)23-11-8-12-17(10(2)3)24-25-18(12)22-9-11/h5-6,8-10,26H,4,7H2,1-3H3,(H,23,27)(H,22,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells |
Bioorg Med Chem Lett 22: 912-5 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.030
BindingDB Entry DOI: 10.7270/Q2MP5648 |
More data for this
Ligand-Target Pair | |
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