Found 34 hits of ki for UniProtKB: P15056 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/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)) | BDBM50580084
(CHEMBL5075174)Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1Nc1ccc2ncn(C)c(=O)c2c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRAF (unknown origin) (416 to 766) inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02085
BindingDB Entry DOI: 10.7270/Q2GT5S13 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50580083
(CHEMBL5094268)Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1NC(=O)c1cccc2c(N)ncnc12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRAF (unknown origin) (416 to 766) inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02085
BindingDB Entry DOI: 10.7270/Q2GT5S13 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50557772
(CHEMBL4775998)Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1-c1ccc2cc(N)ncc2c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRAF (unknown origin) (416 to 766) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured after 9... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00063
BindingDB Entry DOI: 10.7270/Q2DZ0D0Z |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50557770
(CHEMBL4780060)Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1Nc1ccc2ncn(C)c(=O)c2c1F | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| <0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRAF (unknown origin) (416 to 766) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured after 9... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00063
BindingDB Entry DOI: 10.7270/Q2DZ0D0Z |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50580081
(CHEMBL5094514)Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRAF (unknown origin) (416 to 766) inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02085
BindingDB Entry DOI: 10.7270/Q2GT5S13 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50557770
(CHEMBL4780060)Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1Nc1ccc2ncn(C)c(=O)c2c1F | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| <0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRAF (unknown origin) (416 to 766) inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02085
BindingDB Entry DOI: 10.7270/Q2GT5S13 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50580082
(CHEMBL5079215)Show SMILES CN(C(=O)Nc1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C)c1cc(N)ncn1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRAF (unknown origin) (416 to 766) inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02085
BindingDB Entry DOI: 10.7270/Q2GT5S13 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50557775
(CHEMBL4758903)Show SMILES Cc1cc(F)c(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1-c1ccc2c(cnn(C)c2=O)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRAF (unknown origin) (416 to 766) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured after 9... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00063
BindingDB Entry DOI: 10.7270/Q2DZ0D0Z |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50557773
(CHEMBL4778772)Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1-c1ccc2c(cnn(C)c2=O)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| <0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRAF (unknown origin) (416 to 766) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured after 9... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00063
BindingDB Entry DOI: 10.7270/Q2DZ0D0Z |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50557771
(CHEMBL4740241)Show SMILES CNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)c(=O)n(C)c2n1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.102 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRAF (unknown origin) (416 to 766) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured after 9... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00063
BindingDB Entry DOI: 10.7270/Q2DZ0D0Z |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50557774
(CHEMBL4776565)Show SMILES Cc1cc(F)c(cc1-c1ccc2c(cnn(C)c2=O)c1)C(=O)NCCCC(C)(C)C | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRAF (unknown origin) (416 to 766) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured after 9... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00063
BindingDB Entry DOI: 10.7270/Q2DZ0D0Z |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50029085
(CHEBI:83405 | CHEMBL525191 | GDC-0879)Show SMILES OCCn1cc(c(n1)-c1ccncc1)-c1ccc2\C(CCc2c1)=N\O Show InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,24-25H,2,4,9-10H2/b22-18+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant (unknown origin) |
Bioorg Med Chem 22: 6201-8 (2014)
Article DOI: 10.1016/j.bmc.2014.08.029
BindingDB Entry DOI: 10.7270/Q2RB7658 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50096279
(CHEMBL3577124)Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.139 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRAF (unknown origin) (416 to 766) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured after 9... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00063
BindingDB Entry DOI: 10.7270/Q2DZ0D0Z |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50096279
(CHEMBL3577124)Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.139 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRAF (unknown origin) (416 to 766) inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02085
BindingDB Entry DOI: 10.7270/Q2GT5S13 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25391
(CHEMBL200622 | SB-590885 | SB590885 | [2-(4-{4-[(1...)Show SMILES CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1 Show InChI InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,24H,6,10,15-16H2,1-2H3,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description
Inhibition of N-terminus His-6 tagged human B-Raf expressed in baculovirus infected insect Sf9 cells |
Bioorg Med Chem Lett 22: 789-92 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.060
BindingDB Entry DOI: 10.7270/Q2SQ90VM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25391
(CHEMBL200622 | SB-590885 | SB590885 | [2-(4-{4-[(1...)Show SMILES CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1 Show InChI InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,24H,6,10,15-16H2,1-2H3,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.160 | -13.9 | n/a | n/a | n/a | n/a | n/a | 7.0 | 37 |
University of Pennsylvania
| Assay Description
BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve f... |
J Med Chem 51: 6121-7 (2008)
Article DOI: 10.1021/jm800539g
BindingDB Entry DOI: 10.7270/Q2BC3WVM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25391
(CHEMBL200622 | SB-590885 | SB590885 | [2-(4-{4-[(1...)Show SMILES CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1 Show InChI InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,24H,6,10,15-16H2,1-2H3,(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description
Inhibition of BRAF |
Bioorg Med Chem 20: 3746-55 (2012)
Article DOI: 10.1016/j.bmc.2012.04.047
BindingDB Entry DOI: 10.7270/Q2QF8TXP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50580080
(CHEMBL5090624)Show SMILES COc1n[nH]c2ncc(NC(=O)c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)cc12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.165 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRAF (unknown origin) (416 to 766) inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02085
BindingDB Entry DOI: 10.7270/Q2GT5S13 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25628
(2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...)Show InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,18,24H,2,4,9-10H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf |
J Med Chem 55: 7332-41 (2012)
Article DOI: 10.1021/jm300613w
BindingDB Entry DOI: 10.7270/Q29K4CC8 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50557776
(CHEMBL4778419)Show SMILES Cc1cc(F)c(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1-c1cnc2c(cnn(C)c2=O)c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of BRAF (unknown origin) (416 to 766) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured after 9... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00063
BindingDB Entry DOI: 10.7270/Q2DZ0D0Z |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50547978
(CHEMBL4758147)Show SMILES Cc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3ccccc3Cl)c2F)c2ncnc(N)c2c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25391
(CHEMBL200622 | SB-590885 | SB590885 | [2-(4-{4-[(1...)Show SMILES CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1 Show InChI InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,24H,6,10,15-16H2,1-2H3,(H,29,30) | PDB
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| PDB
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PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf |
J Med Chem 55: 7332-41 (2012)
Article DOI: 10.1021/jm300613w
BindingDB Entry DOI: 10.7270/Q29K4CC8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM35327
(pyridylpurine aminoisoquinoline, 1)Show SMILES Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc1ncccc1-c1ncnc2nc[nH]c12 Show InChI InChI=1S/C26H19ClN8/c1-15-4-9-19-18(10-12-29-24(19)34-17-7-5-16(27)6-8-17)21(15)35-25-20(3-2-11-28-25)22-23-26(32-13-30-22)33-14-31-23/h2-14H,1H3,(H,28,35)(H,29,34)(H,30,31,32,33) | PDB
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| MMDB
PDB
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PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf |
J Med Chem 55: 7332-41 (2012)
Article DOI: 10.1021/jm300613w
BindingDB Entry DOI: 10.7270/Q29K4CC8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50547986
(CHEMBL4786638)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F |r,wU:1.0,wD:4.7,(28.77,-6.56,;30.27,-6.89,;31.31,-5.75,;32.81,-6.07,;33.28,-7.54,;32.26,-8.68,;30.75,-8.35,;34.79,-7.86,;35.82,-6.71,;35.34,-5.26,;36.37,-4.11,;37.87,-4.43,;38.34,-5.89,;39.74,-6.51,;39.58,-8.04,;38.08,-8.36,;37.31,-7.03,;41.07,-5.74,;41.07,-4.2,;42.41,-6.51,;43.74,-5.74,;43.74,-4.2,;42.41,-3.43,;45.07,-3.43,;46.4,-4.19,;46.41,-5.74,;47.74,-6.51,;49.07,-5.73,;48.29,-4.39,;49.84,-4.39,;50.41,-6.5,;50.4,-8.05,;51.74,-8.82,;51.74,-10.36,;53.08,-8.05,;53.08,-6.49,;51.74,-5.73,;51.73,-4.19,;45.07,-6.51,;45.07,-8.05,)| | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50547968
(CHEMBL4780489)Show SMILES Nc1ncnc2c(cccc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)N2CCCC2)c1F | PDB
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| PC cid
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UniChem
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25617
(N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...)Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F Show InChI InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22) | PDB
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| MMDB
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Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf |
J Med Chem 55: 7332-41 (2012)
Article DOI: 10.1021/jm300613w
BindingDB Entry DOI: 10.7270/Q29K4CC8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50547981
(CHEMBL4740654)Show SMILES Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(NCCN)c2c1 | PDB
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| PC cid
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| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco
Curated by ChEMBL
| Assay Description
Inhibition of B-Raf |
Chem Biol 12: 621-37 (2005)
Article DOI: 10.1016/j.chembiol.2005.04.011
BindingDB Entry DOI: 10.7270/Q2R49RR6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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CHEMBL
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| DrugBank
PDB
Article
PubMed
| 38 | -10.5 | n/a | n/a | n/a | n/a | n/a | 7.0 | 37 |
University of Pennsylvania
| Assay Description
BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve f... |
J Med Chem 51: 6121-7 (2008)
Article DOI: 10.1021/jm800539g
BindingDB Entry DOI: 10.7270/Q2BC3WVM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50547987
(CHEMBL4760343)Show SMILES Cl.N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)Cc2ccccc2)c1F |r,wU:2.0,wD:5.7,(58.19,-8.97,;58.91,-6.74,;60.41,-7.06,;61.45,-5.92,;62.95,-6.24,;63.42,-7.71,;62.4,-8.85,;60.89,-8.53,;64.93,-8.03,;65.96,-6.89,;65.48,-5.43,;66.51,-4.28,;68.01,-4.61,;68.48,-6.06,;69.88,-6.68,;69.73,-8.22,;68.22,-8.54,;67.45,-7.2,;71.22,-5.91,;71.22,-4.37,;72.55,-6.68,;73.89,-5.92,;73.89,-4.37,;72.55,-3.6,;75.22,-3.6,;76.55,-4.36,;76.56,-5.91,;77.89,-6.68,;79.22,-5.9,;78.44,-4.57,;79.99,-4.56,;80.56,-6.68,;81.89,-5.91,;83.22,-6.68,;84.55,-5.91,;84.56,-4.37,;83.21,-3.6,;81.89,-4.37,;75.22,-6.69,;75.22,-8.23,)| | PDB
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| Article
PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50547982
(CHEMBL4749836)Show SMILES Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N[C@@H]3CCCNC3)c2c1 |r| | PDB
MMDB
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Reactome pathway
KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM25381
(1,7-dibenzyl-8-[(2-hydroxyethyl)sulfanyl]-3-methyl...)Show SMILES Cn1c2nc(SCCO)n(Cc3ccccc3)c2c(=O)n(Cc2ccccc2)c1=O Show InChI InChI=1S/C22H22N4O3S/c1-24-19-18(20(28)26(22(24)29)15-17-10-6-3-7-11-17)25(21(23-19)30-13-12-27)14-16-8-4-2-5-9-16/h2-11,27H,12-15H2,1H3 | PDB
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| Article
PubMed
| 106 | -9.89 | 1.72E+3 | n/a | n/a | n/a | n/a | 7.0 | 37 |
University of Pennsylvania
| Assay Description
BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve f... |
J Med Chem 51: 6121-7 (2008)
Article DOI: 10.1021/jm800539g
BindingDB Entry DOI: 10.7270/Q2BC3WVM |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50547988
(CHEMBL4781285)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2ccccc2Cl)c1F |r,wU:1.0,wD:4.7,(2.27,-26,;3.78,-26.32,;4.8,-25.18,;6.3,-25.5,;6.78,-26.96,;5.75,-28.11,;4.24,-27.79,;8.29,-27.28,;9.32,-26.13,;8.84,-24.68,;9.87,-23.53,;11.37,-23.86,;11.85,-25.31,;13.24,-25.93,;13.09,-27.47,;11.58,-27.79,;10.81,-26.45,;14.58,-25.16,;14.58,-23.62,;15.91,-25.93,;17.25,-25.17,;17.25,-23.62,;15.91,-22.85,;18.58,-22.85,;19.91,-23.61,;19.92,-25.16,;21.25,-25.93,;22.58,-25.15,;21.8,-23.82,;23.35,-23.81,;23.92,-25.93,;23.91,-27.47,;25.25,-28.25,;26.59,-27.47,;26.59,-25.92,;25.25,-25.15,;25.24,-23.61,;18.58,-25.94,;18.58,-27.48,)| | PDB
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MCE
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UniChem
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50547984
(CHEMBL4753081)Show SMILES Cl.Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N[C@H]3CC[C@H](N)CC3)c2c1 |r,wU:37.38,wD:34.34,(59.73,-45.54,;69.53,-50.16,;69.53,-48.62,;70.85,-47.85,;70.85,-46.32,;72.18,-45.55,;72.18,-44.01,;73.52,-46.32,;74.85,-45.55,;74.85,-44,;73.52,-43.24,;76.18,-43.23,;77.52,-44,;77.52,-45.55,;78.86,-46.32,;80.18,-45.54,;79.4,-44.2,;80.95,-44.19,;81.52,-46.31,;81.51,-47.86,;82.85,-48.63,;82.85,-50.17,;84.19,-47.86,;84.19,-46.3,;82.85,-45.53,;82.84,-43.99,;76.18,-46.32,;76.18,-47.86,;69.51,-45.55,;69.52,-44.02,;68.19,-43.25,;66.86,-44.02,;66.87,-45.55,;65.54,-46.32,;64.2,-45.55,;64.2,-44.02,;62.87,-43.25,;61.54,-44.02,;60.2,-43.24,;61.53,-45.56,;62.87,-46.33,;68.19,-46.31,;68.18,-47.85,)| | PDB
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| PC cid
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UniChem
| Article
PubMed
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
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