Found 39 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)) | BDBM50026678
(CHEMBL3335374)Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(OC(F)(F)F)c4)nc3c2)ccn1 Show InChI InChI=1S/C22H18F3N5O3/c1-13(31)27-20-12-16(8-9-26-20)32-15-6-7-19-18(11-15)29-21(30(19)2)28-14-4-3-5-17(10-14)33-22(23,24)25/h3-12H,1-2H3,(H,28,29)(H,26,27,31) | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant (unknown origin) |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026685
(CHEMBL3335373)Show SMILES CC(C)c1cccc(Nc2nc3cc(Oc4ccnc(NC(C)=O)c4)ccc3n2C)c1 Show InChI InChI=1S/C24H25N5O2/c1-15(2)17-6-5-7-18(12-17)27-24-28-21-13-19(8-9-22(21)29(24)4)31-20-10-11-25-23(14-20)26-16(3)30/h5-15H,1-4H3,(H,27,28)(H,25,26,30) | 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 | <0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant (unknown origin) |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026695
(CHEMBL3335372)Show SMILES CCc1cccc(Nc2nc3cc(Oc4ccnc(NC(C)=O)c4)ccc3n2C)c1 Show InChI InChI=1S/C23H23N5O2/c1-4-16-6-5-7-17(12-16)26-23-27-20-13-18(8-9-21(20)28(23)3)30-19-10-11-24-22(14-19)25-15(2)29/h5-14H,4H2,1-3H3,(H,26,27)(H,24,25,29) | 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 | <0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant (unknown origin) |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026692
(CHEMBL3335381)Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cc(ccc4F)C(F)(F)F)nc3c2)ccn1 Show InChI InChI=1S/C22H17F4N5O2/c1-12(32)28-20-11-15(7-8-27-20)33-14-4-6-19-18(10-14)30-21(31(19)2)29-17-9-13(22(24,25)26)3-5-16(17)23/h3-11H,1-2H3,(H,29,30)(H,27,28,32) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant (unknown origin) |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026683
(CHEMBL3335379)Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4ccc(OC(F)(F)F)cc4)nc3c2)ccn1 Show InChI InChI=1S/C22H18F3N5O3/c1-13(31)27-20-12-17(9-10-26-20)32-16-7-8-19-18(11-16)29-21(30(19)2)28-14-3-5-15(6-4-14)33-22(23,24)25/h3-12H,1-2H3,(H,28,29)(H,26,27,31) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant (unknown origin) |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026677
(CHEMBL3335377)Show SMILES CCc1ccc(Nc2nc3cc(Oc4ccnc(NC(C)=O)c4)ccc3n2C)cc1 Show InChI InChI=1S/C23H23N5O2/c1-4-16-5-7-17(8-6-16)26-23-27-20-13-18(9-10-21(20)28(23)3)30-19-11-12-24-22(14-19)25-15(2)29/h5-14H,4H2,1-3H3,(H,26,27)(H,24,25,29) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant (unknown origin) |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026680
(CHEMBL3335385)Show SMILES CC(C)N1CCC(CC1)C(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cc(ccc4F)C(F)(F)F)nc3c2)ccn1 Show InChI InChI=1S/C29H30F4N6O2/c1-17(2)39-12-9-18(10-13-39)27(40)37-26-16-21(8-11-34-26)41-20-5-7-25-24(15-20)36-28(38(25)3)35-23-14-19(29(31,32)33)4-6-22(23)30/h4-8,11,14-18H,9-10,12-13H2,1-3H3,(H,35,36)(H,34,37,40) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant (unknown origin) |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026679
(CHEMBL3335371)Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1 Show InChI InChI=1S/C25H27N5O2/c1-16(31)27-23-15-20(11-12-26-23)32-19-9-10-22-21(14-19)29-24(30(22)5)28-18-8-6-7-17(13-18)25(2,3)4/h6-15H,1-5H3,(H,28,29)(H,26,27,31) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant (unknown origin) |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026694
(CHEMBL3335375)Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(F)(F)F)nc3c2)ccn1 Show InChI InChI=1S/C22H18F3N5O2/c1-13(31)27-20-12-17(8-9-26-20)32-16-6-7-19-18(11-16)29-21(30(19)2)28-15-5-3-4-14(10-15)22(23,24)25/h3-12H,1-2H3,(H,28,29)(H,26,27,31) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant (unknown origin) |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026676
(CHEMBL3335380)Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4ccc(cc4)C(F)(F)F)nc3c2)ccn1 Show InChI InChI=1S/C22H18F3N5O2/c1-13(31)27-20-12-17(9-10-26-20)32-16-7-8-19-18(11-16)29-21(30(19)2)28-15-5-3-14(4-6-15)22(23,24)25/h3-12H,1-2H3,(H,28,29)(H,26,27,31) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant (unknown origin) |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026693
(CHEMBL3335378)Show SMILES CC(C)c1ccc(Nc2nc3cc(Oc4ccnc(NC(C)=O)c4)ccc3n2C)cc1 Show InChI InChI=1S/C24H25N5O2/c1-15(2)17-5-7-18(8-6-17)27-24-28-21-13-19(9-10-22(21)29(24)4)31-20-11-12-25-23(14-20)26-16(3)30/h5-15H,1-4H3,(H,27,28)(H,25,26,30) | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant (unknown origin) |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026674
(CHEMBL3335386)Show SMILES CC(C)N1CCN(CC(=O)Nc2cc(Oc3ccc4n(C)c(Nc5cc(ccc5F)C(F)(F)F)nc4c3)ccn2)CC1 Show InChI InChI=1S/C29H31F4N7O2/c1-18(2)40-12-10-39(11-13-40)17-27(41)37-26-16-21(8-9-34-26)42-20-5-7-25-24(15-20)36-28(38(25)3)35-23-14-19(29(31,32)33)4-6-22(23)30/h4-9,14-16,18H,10-13,17H2,1-3H3,(H,35,36)(H,34,37,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant (unknown origin) |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026673
(CHEMBL3335387)Show SMILES CCN1CCN(CC(=O)Nc2cc(Oc3ccc4n(C)c(Nc5cc(ccc5F)C(F)(F)F)nc4c3)ccn2)CC1 Show InChI InChI=1S/C28H29F4N7O2/c1-3-38-10-12-39(13-11-38)17-26(40)36-25-16-20(8-9-33-25)41-19-5-7-24-23(15-19)35-27(37(24)2)34-22-14-18(28(30,31)32)4-6-21(22)29/h4-9,14-16H,3,10-13,17H2,1-2H3,(H,34,35)(H,33,36,40) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant (unknown origin) |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026681
(CHEMBL3335382)Show SMILES Cn1c(Nc2cccc(c2)C(C)(C)C)nc2cc(Oc3ccnc(NC(=O)C4CCNCC4)c3)ccc12 Show InChI InChI=1S/C29H34N6O2/c1-29(2,3)20-6-5-7-21(16-20)32-28-33-24-17-22(8-9-25(24)35(28)4)37-23-12-15-31-26(18-23)34-27(36)19-10-13-30-14-11-19/h5-9,12,15-19,30H,10-11,13-14H2,1-4H3,(H,32,33)(H,31,34,36) | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant (unknown origin) |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026684
(CHEMBL3335376)Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4ccc(cc4)C(C)(C)C)nc3c2)ccn1 Show InChI InChI=1S/C25H27N5O2/c1-16(31)27-23-15-20(12-13-26-23)32-19-10-11-22-21(14-19)29-24(30(22)5)28-18-8-6-17(7-9-18)25(2,3)4/h6-15H,1-5H3,(H,28,29)(H,26,27,31) | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant (unknown origin) |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50026673
(CHEMBL3335387)Show SMILES CCN1CCN(CC(=O)Nc2cc(Oc3ccc4n(C)c(Nc5cc(ccc5F)C(F)(F)F)nc4c3)ccn2)CC1 Show InChI InChI=1S/C28H29F4N7O2/c1-3-38-10-12-39(13-11-38)17-26(40)36-25-16-20(8-9-33-25)41-19-5-7-24-23(15-19)35-27(37(24)2)34-22-14-18(28(30,31)32)4-6-21(22)29/h4-9,14-16H,3,10-13,17H2,1-2H3,(H,34,35)(H,33,36,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of c-Kit (unknown origin) |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha/beta
(Homo sapiens (Human)) | BDBM50026673
(CHEMBL3335387)Show SMILES CCN1CCN(CC(=O)Nc2cc(Oc3ccc4n(C)c(Nc5cc(ccc5F)C(F)(F)F)nc4c3)ccn2)CC1 Show InChI InChI=1S/C28H29F4N7O2/c1-3-38-10-12-39(13-11-38)17-26(40)36-25-16-20(8-9-33-25)41-19-5-7-24-23(15-19)35-27(37(24)2)34-22-14-18(28(30,31)32)4-6-21(22)29/h4-9,14-16H,3,10-13,17H2,1-2H3,(H,34,35)(H,33,36,40) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PDGFR (unknown origin) |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50026673
(CHEMBL3335387)Show SMILES CCN1CCN(CC(=O)Nc2cc(Oc3ccc4n(C)c(Nc5cc(ccc5F)C(F)(F)F)nc4c3)ccn2)CC1 Show InChI InChI=1S/C28H29F4N7O2/c1-3-38-10-12-39(13-11-38)17-26(40)36-25-16-20(8-9-33-25)41-19-5-7-24-23(15-19)35-27(37(24)2)34-22-14-18(28(30,31)32)4-6-21(22)29/h4-9,14-16H,3,10-13,17H2,1-2H3,(H,34,35)(H,33,36,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of CSF1R kinase (unknown origin) |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1/2/3
(Homo sapiens (Human)) | BDBM50026673
(CHEMBL3335387)Show SMILES CCN1CCN(CC(=O)Nc2cc(Oc3ccc4n(C)c(Nc5cc(ccc5F)C(F)(F)F)nc4c3)ccn2)CC1 Show InChI InChI=1S/C28H29F4N7O2/c1-3-38-10-12-39(13-11-38)17-26(40)36-25-16-20(8-9-33-25)41-19-5-7-24-23(15-19)35-27(37(24)2)34-22-14-18(28(30,31)32)4-6-21(22)29/h4-9,14-16H,3,10-13,17H2,1-2H3,(H,34,35)(H,33,36,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR (unknown origin) |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026675
(CHEMBL3335383)Show SMILES CN1CCC(CC1)C(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1 Show InChI InChI=1S/C30H36N6O2/c1-30(2,3)21-7-6-8-22(17-21)32-29-33-25-18-23(9-10-26(25)36(29)5)38-24-11-14-31-27(19-24)34-28(37)20-12-15-35(4)16-13-20/h6-11,14,17-20H,12-13,15-16H2,1-5H3,(H,32,33)(H,31,34,37) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant (unknown origin) |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026686
(CHEMBL3335384)Show SMILES CC(C)N1CCC(CC1)C(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1 Show InChI InChI=1S/C32H40N6O2/c1-21(2)38-16-13-22(14-17-38)30(39)36-29-20-26(12-15-33-29)40-25-10-11-28-27(19-25)35-31(37(28)6)34-24-9-7-8-23(18-24)32(3,4)5/h7-12,15,18-22H,13-14,16-17H2,1-6H3,(H,34,35)(H,33,36,39) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF V600E mutant (unknown origin) |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50026673
(CHEMBL3335387)Show SMILES CCN1CCN(CC(=O)Nc2cc(Oc3ccc4n(C)c(Nc5cc(ccc5F)C(F)(F)F)nc4c3)ccn2)CC1 Show InChI InChI=1S/C28H29F4N7O2/c1-3-38-10-12-39(13-11-38)17-26(40)36-25-16-20(8-9-33-25)41-19-5-7-24-23(15-19)35-27(37(24)2)34-22-14-18(28(30,31)32)4-6-21(22)29/h4-9,14-16H,3,10-13,17H2,1-2H3,(H,34,35)(H,33,36,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of LCK (unknown origin) |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026693
(CHEMBL3335378)Show SMILES CC(C)c1ccc(Nc2nc3cc(Oc4ccnc(NC(C)=O)c4)ccc3n2C)cc1 Show InChI InChI=1S/C24H25N5O2/c1-15(2)17-5-7-18(8-6-17)27-24-28-21-13-19(9-10-22(21)29(24)4)31-20-11-12-25-23(14-20)26-16(3)30/h5-15H,1-4H3,(H,27,28)(H,25,26,30) | 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 | n/a | n/a | 90 | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF (unknown origin)-mediated ERK phosphorylation by cell-based assay |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026673
(CHEMBL3335387)Show SMILES CCN1CCN(CC(=O)Nc2cc(Oc3ccc4n(C)c(Nc5cc(ccc5F)C(F)(F)F)nc4c3)ccn2)CC1 Show InChI InChI=1S/C28H29F4N7O2/c1-3-38-10-12-39(13-11-38)17-26(40)36-25-16-20(8-9-33-25)41-19-5-7-24-23(15-19)35-27(37(24)2)34-22-14-18(28(30,31)32)4-6-21(22)29/h4-9,14-16H,3,10-13,17H2,1-2H3,(H,34,35)(H,33,36,40) | 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 | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF (unknown origin)-mediated ERK phosphorylation by cell-based assay |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026679
(CHEMBL3335371)Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1 Show InChI InChI=1S/C25H27N5O2/c1-16(31)27-23-15-20(11-12-26-23)32-19-9-10-22-21(14-19)29-24(30(22)5)28-18-8-6-7-17(13-18)25(2,3)4/h6-15H,1-5H3,(H,28,29)(H,26,27,31) | 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 | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF (unknown origin)-mediated ERK phosphorylation by cell-based assay |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026677
(CHEMBL3335377)Show SMILES CCc1ccc(Nc2nc3cc(Oc4ccnc(NC(C)=O)c4)ccc3n2C)cc1 Show InChI InChI=1S/C23H23N5O2/c1-4-16-5-7-17(8-6-16)26-23-27-20-13-18(9-10-21(20)28(23)3)30-19-11-12-24-22(14-19)25-15(2)29/h5-14H,4H2,1-3H3,(H,26,27)(H,24,25,29) | 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 | n/a | n/a | 80 | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF (unknown origin)-mediated ERK phosphorylation by cell-based assay |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026686
(CHEMBL3335384)Show SMILES CC(C)N1CCC(CC1)C(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1 Show InChI InChI=1S/C32H40N6O2/c1-21(2)38-16-13-22(14-17-38)30(39)36-29-20-26(12-15-33-29)40-25-10-11-28-27(19-25)35-31(37(28)6)34-24-9-7-8-23(18-24)32(3,4)5/h7-12,15,18-22H,13-14,16-17H2,1-6H3,(H,34,35)(H,33,36,39) | 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 | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF (unknown origin)-mediated ERK phosphorylation by cell-based assay |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026683
(CHEMBL3335379)Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4ccc(OC(F)(F)F)cc4)nc3c2)ccn1 Show InChI InChI=1S/C22H18F3N5O3/c1-13(31)27-20-12-17(9-10-26-20)32-16-7-8-19-18(11-16)29-21(30(19)2)28-14-3-5-15(6-4-14)33-22(23,24)25/h3-12H,1-2H3,(H,28,29)(H,26,27,31) | 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 | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF (unknown origin)-mediated ERK phosphorylation by cell-based assay |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026685
(CHEMBL3335373)Show SMILES CC(C)c1cccc(Nc2nc3cc(Oc4ccnc(NC(C)=O)c4)ccc3n2C)c1 Show InChI InChI=1S/C24H25N5O2/c1-15(2)17-6-5-7-18(12-17)27-24-28-21-13-19(8-9-22(21)29(24)4)31-20-10-11-25-23(14-20)26-16(3)30/h5-15H,1-4H3,(H,27,28)(H,25,26,30) | 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 | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF (unknown origin)-mediated ERK phosphorylation by cell-based assay |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026681
(CHEMBL3335382)Show SMILES Cn1c(Nc2cccc(c2)C(C)(C)C)nc2cc(Oc3ccnc(NC(=O)C4CCNCC4)c3)ccc12 Show InChI InChI=1S/C29H34N6O2/c1-29(2,3)20-6-5-7-21(16-20)32-28-33-24-17-22(8-9-25(24)35(28)4)37-23-12-15-31-26(18-23)34-27(36)19-10-13-30-14-11-19/h5-9,12,15-19,30H,10-11,13-14H2,1-4H3,(H,32,33)(H,31,34,36) | 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 | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF (unknown origin)-mediated ERK phosphorylation by cell-based assay |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026678
(CHEMBL3335374)Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(OC(F)(F)F)c4)nc3c2)ccn1 Show InChI InChI=1S/C22H18F3N5O3/c1-13(31)27-20-12-16(8-9-26-20)32-15-6-7-19-18(11-15)29-21(30(19)2)28-14-4-3-5-17(10-14)33-22(23,24)25/h3-12H,1-2H3,(H,28,29)(H,26,27,31) | 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 | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF (unknown origin)-mediated ERK phosphorylation by cell-based assay |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026676
(CHEMBL3335380)Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4ccc(cc4)C(F)(F)F)nc3c2)ccn1 Show InChI InChI=1S/C22H18F3N5O2/c1-13(31)27-20-12-17(9-10-26-20)32-16-7-8-19-18(11-16)29-21(30(19)2)28-15-5-3-14(4-6-15)22(23,24)25/h3-12H,1-2H3,(H,28,29)(H,26,27,31) | 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 | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF (unknown origin)-mediated ERK phosphorylation by cell-based assay |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026675
(CHEMBL3335383)Show SMILES CN1CCC(CC1)C(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1 Show InChI InChI=1S/C30H36N6O2/c1-30(2,3)21-7-6-8-22(17-21)32-29-33-25-18-23(9-10-26(25)36(29)5)38-24-11-14-31-27(19-24)34-28(37)20-12-15-35(4)16-13-20/h6-11,14,17-20H,12-13,15-16H2,1-5H3,(H,32,33)(H,31,34,37) | 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 | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF (unknown origin)-mediated ERK phosphorylation by cell-based assay |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026674
(CHEMBL3335386)Show SMILES CC(C)N1CCN(CC(=O)Nc2cc(Oc3ccc4n(C)c(Nc5cc(ccc5F)C(F)(F)F)nc4c3)ccn2)CC1 Show InChI InChI=1S/C29H31F4N7O2/c1-18(2)40-12-10-39(11-13-40)17-27(41)37-26-16-21(8-9-34-26)42-20-5-7-25-24(15-20)36-28(38(25)3)35-23-14-19(29(31,32)33)4-6-22(23)30/h4-9,14-16,18H,10-13,17H2,1-3H3,(H,35,36)(H,34,37,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF (unknown origin)-mediated ERK phosphorylation by cell-based assay |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026695
(CHEMBL3335372)Show SMILES CCc1cccc(Nc2nc3cc(Oc4ccnc(NC(C)=O)c4)ccc3n2C)c1 Show InChI InChI=1S/C23H23N5O2/c1-4-16-6-5-7-17(12-16)26-23-27-20-13-18(8-9-21(20)28(23)3)30-19-10-11-24-22(14-19)25-15(2)29/h5-14H,4H2,1-3H3,(H,26,27)(H,24,25,29) | 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 | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF (unknown origin)-mediated ERK phosphorylation by cell-based assay |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026694
(CHEMBL3335375)Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(F)(F)F)nc3c2)ccn1 Show InChI InChI=1S/C22H18F3N5O2/c1-13(31)27-20-12-17(8-9-26-20)32-16-6-7-19-18(11-16)29-21(30(19)2)28-15-5-3-4-14(10-15)22(23,24)25/h3-12H,1-2H3,(H,28,29)(H,26,27,31) | 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 | n/a | n/a | 400 | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF (unknown origin)-mediated ERK phosphorylation by cell-based assay |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026692
(CHEMBL3335381)Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cc(ccc4F)C(F)(F)F)nc3c2)ccn1 Show InChI InChI=1S/C22H17F4N5O2/c1-12(32)28-20-11-15(7-8-27-20)33-14-4-6-19-18(10-14)30-21(31(19)2)29-17-9-13(22(24,25)26)3-5-16(17)23/h3-11H,1-2H3,(H,29,30)(H,27,28,32) | 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 | n/a | n/a | 90 | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF (unknown origin)-mediated ERK phosphorylation by cell-based assay |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026680
(CHEMBL3335385)Show SMILES CC(C)N1CCC(CC1)C(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cc(ccc4F)C(F)(F)F)nc3c2)ccn1 Show InChI InChI=1S/C29H30F4N6O2/c1-17(2)39-12-9-18(10-13-39)27(40)37-26-16-21(8-11-34-26)41-20-5-7-25-24(15-20)36-28(38(25)3)35-23-14-19(29(31,32)33)4-6-22(23)30/h4-8,11,14-18H,9-10,12-13H2,1-3H3,(H,35,36)(H,34,37,40) | 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 | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF (unknown origin)-mediated ERK phosphorylation by cell-based assay |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50026684
(CHEMBL3335376)Show SMILES CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4ccc(cc4)C(C)(C)C)nc3c2)ccn1 Show InChI InChI=1S/C25H27N5O2/c1-16(31)27-23-15-20(12-13-26-23)32-19-10-11-22-21(14-19)29-24(30(22)5)28-18-8-6-17(7-9-18)25(2,3)4/h6-15H,1-5H3,(H,28,29)(H,26,27,31) | 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 | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of BRAF (unknown origin)-mediated ERK phosphorylation by cell-based assay |
ACS Med Chem Lett 5: 989-92 (2014)
Article DOI: 10.1021/ml5002272
BindingDB Entry DOI: 10.7270/Q2RN39FP |
More data for this
Ligand-Target Pair | |
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