Found 324 hits with Last Name = 'amiri' and Initial = 'p' 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 |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM202656
(US10245267, Example 1 | US10709712, Example 1 | US...)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(ncn1)N1CCOCC1 Show InChI InChI=1S/C23H21F3N4O2/c1-15-5-6-18(29-22(31)16-3-2-4-17(11-16)23(24,25)26)12-19(15)20-13-21(28-14-27-20)30-7-9-32-10-8-30/h2-6,11-14H,7-10H2,1H3,(H,29,31) | 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 | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio... |
J Med Chem 63: 2013-2027 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4 |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM88120
(US10245267, Example 1156 | US10709712, Example 115...)Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)N1CCOCC1 Show InChI InChI=1S/C25H25F3N4O4/c1-16-2-3-19(30-24(34)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(32-6-9-35-10-7-32)31-23(14-18)36-11-8-33/h2-5,12-15,33H,6-11H2,1H3,(H,30,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio... |
J Med Chem 63: 2013-2027 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4 |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM202686
(US10245267, Example 31 | US10709712, Example 31 | ...)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(nc(NCCO)n1)N1CCOCC1 Show InChI InChI=1S/C25H26F3N5O3/c1-16-5-6-19(30-23(35)17-3-2-4-18(13-17)25(26,27)28)14-20(16)21-15-22(33-8-11-36-12-9-33)32-24(31-21)29-7-10-34/h2-6,13-15,34H,7-12H2,1H3,(H,30,35)(H,29,31,32) | 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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio... |
J Med Chem 63: 2013-2027 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4 |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM87998
(US10245267, Example 1029 | US10709712, Example 103...)Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(O[C@H]2CCOC[C@H]2F)c(c1)N1CCOCC1 |r| Show InChI InChI=1S/C28H28F4N4O4/c1-17-22(13-21(15-33-17)35-26(37)18-3-2-4-20(11-18)28(30,31)32)19-12-24(36-6-9-38-10-7-36)27(34-14-19)40-25-5-8-39-16-23(25)29/h2-4,11-15,23,25H,5-10,16H2,1H3,(H,35,37)/t23-,25+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio... |
J Med Chem 63: 2013-2027 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM202784
(US10245267, Example 131 | US10709712, Example 131 ...)Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1 Show InChI InChI=1S/C28H29F3N4O4/c1-18-24(15-22(17-32-18)34-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-38-12-8-35)27(33-16-20)39-23-5-9-37-10-6-23/h2-4,13-17,23H,5-12H2,1H3,(H,34,36) | 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
| 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 full-length BRAF (unknown origin) |
J Med Chem 60: 4869-4881 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01862 BindingDB Entry DOI: 10.7270/Q2F191ZC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM84365
(US10245267, Example 636 | US10709712, Example 636 ...)Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(N2CCOCC2)c(OC2CCOCC2)nn1 Show InChI InChI=1S/C27H28F3N5O4/c1-17-22(14-20(16-31-17)32-25(36)18-3-2-4-19(13-18)27(28,29)30)23-15-24(35-7-11-38-12-8-35)26(34-33-23)39-21-5-9-37-10-6-21/h2-4,13-16,21H,5-12H2,1H3,(H,32,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| 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 CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio... |
J Med Chem 63: 2013-2027 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4 |
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 | 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)) | BDBM88120
(US10245267, Example 1156 | US10709712, Example 115...)Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)N1CCOCC1 Show InChI InChI=1S/C25H25F3N4O4/c1-16-2-3-19(30-24(34)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(32-6-9-35-10-7-32)31-23(14-18)36-11-8-33/h2-5,12-15,33H,6-11H2,1H3,(H,30,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB 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 full-length BRAF (unknown origin) |
J Med Chem 63: 2013-2027 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM202784
(US10245267, Example 131 | US10709712, Example 131 ...)Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1 Show InChI InChI=1S/C28H29F3N4O4/c1-18-24(15-22(17-32-18)34-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(35-7-11-38-12-8-35)27(33-16-20)39-23-5-9-37-10-6-23/h2-4,13-17,23H,5-12H2,1H3,(H,34,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| 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 CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio... |
J Med Chem 63: 2013-2027 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4 |
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)) | 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)) | BDBM31088
(1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-y...)Show SMILES Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12 Show InChI InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description In vitro inhibitory activity towards Coagulation factor X was determined using chromogenic substrate, MeO-COD-CHG-Gly-Arg-pNA |
ACS Med Chem Lett 6: 961-5 (2015)
Article DOI: 10.1021/ml500526p BindingDB Entry DOI: 10.7270/Q28W3G4S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50510891
(CHEMBL4455996)Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(NCCO)nc(c1)N1CCOCC1 Show InChI InChI=1S/C25H26F3N5O3/c1-16-2-3-19(31-24(35)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(30-6-9-34)32-23(14-18)33-7-10-36-11-8-33/h2-5,12-15,34H,6-11H2,1H3,(H,30,32)(H,31,35) | 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio... |
J Med Chem 63: 2013-2027 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4 |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM88006
(US10245267, Example 1041 | US10709712, Example 104...)Show SMILES Cc1ncc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cc(NCCO)nc(c1)N1CCOCC1 Show InChI InChI=1S/C25H28F2N6O3/c1-16-20(18-12-22(29-5-8-34)32-23(13-18)33-6-9-36-10-7-33)14-19(15-30-16)31-24(35)17-3-4-28-21(11-17)25(2,26)27/h3-4,11-15,34H,5-10H2,1-2H3,(H,29,32)(H,31,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio... |
J Med Chem 63: 2013-2027 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4 |
More data for this Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50500931
(CHEMBL3797873)Show SMILES C[C@H]1CN(CCN1)c1cccc2nc(-c3nc(cnc3N)-c3cccc(c3)C(=O)N(C)C)n(C)c12 |r| Show InChI InChI=1S/C26H30N8O/c1-16-15-34(12-11-28-16)21-10-6-9-19-23(21)33(4)25(31-19)22-24(27)29-14-20(30-22)17-7-5-8-18(13-17)26(35)32(2)3/h5-10,13-14,16,28H,11-12,15H2,1-4H3,(H2,27,29)/t16-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of N-terminal 6His-tagged recombinant human full length wild type MNK2b using biotin-SGSGKRREILSRRPSYR-NH2 as substrate after 1 hr by HTRF... |
J Med Chem 59: 3034-45 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01657 BindingDB Entry DOI: 10.7270/Q2RB77MH |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50510890
(CHEMBL4593446)Show SMILES Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(O)c(c1)N1CCOCC1 Show InChI InChI=1S/C23H21F3N4O3/c1-14-19(16-10-20(22(32)28-12-16)30-5-7-33-8-6-30)11-18(13-27-14)29-21(31)15-3-2-4-17(9-15)23(24,25)26/h2-4,9-13H,5-8H2,1H3,(H,28,32)(H,29,31) | 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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio... |
J Med Chem 63: 2013-2027 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4 |
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 | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50344540
(4-(2-(4-isopropylphenylamino)benzo[d]oxazol-5-ylox...)Show SMILES CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(cc4)C(C)C)nc3c2)ccn1 Show InChI InChI=1S/C23H22N4O3/c1-14(2)15-4-6-16(7-5-15)26-23-27-19-12-17(8-9-21(19)30-23)29-18-10-11-25-20(13-18)22(28)24-3/h4-14H,1-3H3,(H,24,28)(H,26,27) | 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 | 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-Raf assessed as phosphorylation of MEK1/2 by ELISA |
Bioorg Med Chem Lett 21: 3286-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.023 BindingDB Entry DOI: 10.7270/Q2R78FH0 |
More data for this Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50500936
(CHEMBL3798762)Show SMILES CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(n1)-c1nc2cccc(N3CCNCC3)c2n1C Show InChI InChI=1S/C25H28N8O/c1-31(2)25(34)17-7-4-6-16(14-17)19-15-28-23(26)21(29-19)24-30-18-8-5-9-20(22(18)32(24)3)33-12-10-27-11-13-33/h4-9,14-15,27H,10-13H2,1-3H3,(H2,26,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| 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 N-terminal 6His-tagged recombinant human full length wild type MNK2b using biotin-SGSGKRREILSRRPSYR-NH2 as substrate after 1 hr by HTRF... |
J Med Chem 59: 3034-45 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01657 BindingDB Entry DOI: 10.7270/Q2RB77MH |
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 | |
Platelet-derived growth factor receptor beta
(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 | 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 Histamine H1 receptor |
ACS Med Chem Lett 6: 961-5 (2015)
Article DOI: 10.1021/ml500526p BindingDB Entry DOI: 10.7270/Q28W3G4S |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50131822
(CHEMBL3632719)Show SMILES Cn1c(Nc2cccc(c2)C(C)(C)C)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12 Show InChI InChI=1S/C27H25F3N6O/c1-26(2,3)16-6-5-7-17(12-16)33-25-34-20-13-18(8-9-22(20)36(25)4)37-19-10-11-31-21(14-19)24-32-15-23(35-24)27(28,29)30/h5-15H,1-4H3,(H,32,35)(H,33,34) | 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 Histamine H1 receptor |
ACS Med Chem Lett 6: 961-5 (2015)
Article DOI: 10.1021/ml500526p BindingDB Entry DOI: 10.7270/Q28W3G4S |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50112349
(CHEMBL3609328)Show SMILES CN1CCN(CC1)C1=Nc2cc(F)ccc2Nc2ccc(F)cc12 |t:8| Show InChI InChI=1S/C18H18F2N4/c1-23-6-8-24(9-7-23)18-14-10-12(19)2-4-15(14)21-16-5-3-13(20)11-17(16)22-18/h2-5,10-11,21H,6-9H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB 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 recombinant human histamine H1 receptor |
ACS Med Chem Lett 6: 776-81 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00102 BindingDB Entry DOI: 10.7270/Q25X2BQS |
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 | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50344541
(4-(2-(4-ethylphenylamino)benzo[d]oxazol-5-yloxy)-N...)Show SMILES CCc1ccc(Nc2nc3cc(Oc4ccnc(c4)C(=O)NC)ccc3o2)cc1 Show InChI InChI=1S/C22H20N4O3/c1-3-14-4-6-15(7-5-14)25-22-26-18-12-16(8-9-20(18)29-22)28-17-10-11-24-19(13-17)21(27)23-2/h4-13H,3H2,1-2H3,(H,23,27)(H,25,26) | 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 | 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-Raf assessed as phosphorylation of MEK1/2 by ELISA |
Bioorg Med Chem Lett 21: 3286-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.023 BindingDB Entry DOI: 10.7270/Q2R78FH0 |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM26034
(4-({2-[(4-bromophenyl)amino]-1-methyl-1H-1,3-benzo...)Show SMILES Cn1c(Nc2ccc(Br)cc2)nc2cc(Oc3ccnc(c3)C(N)=O)ccc12 Show InChI InChI=1S/C20H16BrN5O2/c1-26-18-7-6-14(28-15-8-9-23-17(11-15)19(22)27)10-16(18)25-20(26)24-13-4-2-12(21)3-5-13/h2-11H,1H3,(H2,22,27)(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis
| Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated... |
J Med Chem 51: 7049-52 (2008)
Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50344525
(4-(2-(3-tert-butylphenylamino)benzo[d]thiazol-5-yl...)Show SMILES CC(C)(C)c1cccc(Nc2nc3cc(Oc4ccnc(c4)C(N)=O)ccc3s2)c1 Show InChI InChI=1S/C23H22N4O2S/c1-23(2,3)14-5-4-6-15(11-14)26-22-27-18-12-16(7-8-20(18)30-22)29-17-9-10-25-19(13-17)21(24)28/h4-13H,1-3H3,(H2,24,28)(H,26,27) | 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 c-Raf assessed as phosphorylation of MEK1/2 by ELISA |
Bioorg Med Chem Lett 21: 3286-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.023 BindingDB Entry DOI: 10.7270/Q2R78FH0 |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50344548
(4-(2-(3-tert-butyl phenylamino)benzo[d]oxazol-5-yl...)Show SMILES CNC(=O)c1cc(Oc2ccc3oc(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1 Show InChI InChI=1S/C24H24N4O3/c1-24(2,3)15-6-5-7-16(12-15)27-23-28-19-13-17(8-9-21(19)31-23)30-18-10-11-26-20(14-18)22(29)25-4/h5-14H,1-4H3,(H,25,29)(H,27,28) | 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 c-Raf assessed as phosphorylation of MEK1/2 by ELISA |
Bioorg Med Chem Lett 21: 3286-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.023 BindingDB Entry DOI: 10.7270/Q2R78FH0 |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM26023
(4-({2-[(4-bromophenyl)(methyl)amino]-1H-1,3-benzod...)Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(Br)cc4)nc3c2)ccn1 Show InChI InChI=1S/C21H18BrN5O2/c1-23-20(28)18-12-16(9-10-24-18)29-15-7-8-19-17(11-15)26-21(27(19)2)25-14-5-3-13(22)4-6-14/h3-12H,1-2H3,(H,23,28)(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.8 | 22 |
Novartis
| Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated... |
J Med Chem 51: 7049-52 (2008)
Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50344532
(4-(2-(3-tert-butylphenylamino)benzo[d]thiazol-5-yl...)Show SMILES CNC(=O)c1cc(Oc2ccc3sc(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1 Show InChI InChI=1S/C24H24N4O2S/c1-24(2,3)15-6-5-7-16(12-15)27-23-28-19-13-17(8-9-21(19)31-23)30-18-10-11-26-20(14-18)22(29)25-4/h5-14H,1-4H3,(H,25,29)(H,27,28) | 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 c-Raf assessed as phosphorylation of MEK1/2 by ELISA |
Bioorg Med Chem Lett 21: 3286-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.023 BindingDB Entry DOI: 10.7270/Q2R78FH0 |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.8 | 22 |
Novartis
| Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated... |
J Med Chem 51: 7049-52 (2008)
Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM202839
(US10245267, Example 640 | US10709712, Example 191 ...)Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(N2CCOCC2)c(=O)n(C)n1 Show InChI InChI=1S/C26H28N6O3/c1-17-5-6-19(29-24(33)18-7-8-28-23(13-18)26(2,3)16-27)14-20(17)21-15-22(25(34)31(4)30-21)32-9-11-35-12-10-32/h5-8,13-15H,9-12H2,1-4H3,(H,29,33) | 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 | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio... |
J Med Chem 63: 2013-2027 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4 |
More data for this Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50500931
(CHEMBL3797873)Show SMILES C[C@H]1CN(CCN1)c1cccc2nc(-c3nc(cnc3N)-c3cccc(c3)C(=O)N(C)C)n(C)c12 |r| Show InChI InChI=1S/C26H30N8O/c1-16-15-34(12-11-28-16)21-10-6-9-19-23(21)33(4)25(31-19)22-24(27)29-14-20(30-22)17-7-5-8-18(13-17)26(35)32(2)3/h5-10,13-14,16,28H,11-12,15H2,1-4H3,(H2,27,29)/t16-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ERK2-activated full length wild type MNK1a (unknown origin) using biotin-SGSGKRREILSRRPSYR-NH2 as substrate after 2 hrs by HTRF assay |
J Med Chem 59: 3034-45 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01657 BindingDB Entry DOI: 10.7270/Q2RB77MH |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50510889
(CHEMBL4475855)Show SMILES CO[C@H]1COCC[C@@H]1Oc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)cnc1C |r| Show InChI InChI=1S/C29H31F3N4O5/c1-18-23(14-22(16-33-18)35-27(37)19-4-3-5-21(12-19)29(30,31)32)20-13-24(36-7-10-39-11-8-36)28(34-15-20)41-25-6-9-40-17-26(25)38-2/h3-5,12-16,25-26H,6-11,17H2,1-2H3,(H,35,37)/t25-,26-/m0/s1 | 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CRAF Y340E/Y341E mutant (unknown origin) using human MEK1 K97R mutant as substrate pretreated for 30 mins followed by substrate additio... |
J Med Chem 63: 2013-2027 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4 |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50344538
(CHEMBL1778397 | N-methyl-4-(2-(4-(trifluoromethoxy...)Show SMILES CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(OC(F)(F)F)cc4)nc3c2)ccn1 Show InChI InChI=1S/C21H15F3N4O4/c1-25-19(29)17-11-15(8-9-26-17)30-14-6-7-18-16(10-14)28-20(31-18)27-12-2-4-13(5-3-12)32-21(22,23)24/h2-11H,1H3,(H,25,29)(H,27,28) | 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 | 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-Raf assessed as phosphorylation of MEK1/2 by ELISA |
Bioorg Med Chem Lett 21: 3286-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.023 BindingDB Entry DOI: 10.7270/Q2R78FH0 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase Fyn
(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
UniProtKB/SwissProt
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 [3H]-FPP incorporation into biotin-linked K-ras decapeptide (CVIM) by bovine farnesyltransferase |
ACS Med Chem Lett 6: 961-5 (2015)
Article DOI: 10.1021/ml500526p BindingDB Entry DOI: 10.7270/Q28W3G4S |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(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
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 [3H]-FPP incorporation into biotin-linked K-ras decapeptide (CVIM) by bovine farnesyltransferase |
ACS Med Chem Lett 6: 961-5 (2015)
Article DOI: 10.1021/ml500526p BindingDB Entry DOI: 10.7270/Q28W3G4S |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 1/2/3
(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 antibodypedia 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 Inhibitory activity towards acetylcholine esterase (AChE) |
ACS Med Chem Lett 6: 961-5 (2015)
Article DOI: 10.1021/ml500526p BindingDB Entry DOI: 10.7270/Q28W3G4S |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50344539
(4-(2-(4-butylphenylamino)benzo[d]oxazol-5-yloxy)-N...)Show SMILES CCCCc1ccc(Nc2nc3cc(Oc4ccnc(c4)C(=O)NC)ccc3o2)cc1 Show InChI InChI=1S/C24H24N4O3/c1-3-4-5-16-6-8-17(9-7-16)27-24-28-20-14-18(10-11-22(20)31-24)30-19-12-13-26-21(15-19)23(29)25-2/h6-15H,3-5H2,1-2H3,(H,25,29)(H,27,28) | 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 | 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-Raf assessed as phosphorylation of MEK1/2 by ELISA |
Bioorg Med Chem Lett 21: 3286-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.023 BindingDB Entry DOI: 10.7270/Q2R78FH0 |
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 [V600E]
(Homo sapiens (Human)) | BDBM26023
(4-({2-[(4-bromophenyl)(methyl)amino]-1H-1,3-benzod...)Show SMILES CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(Br)cc4)nc3c2)ccn1 Show InChI InChI=1S/C21H18BrN5O2/c1-23-20(28)18-12-16(9-10-24-18)29-15-7-8-19-17(11-15)26-21(27(19)2)25-14-5-3-13(22)4-6-14/h3-12H,1-2H3,(H,23,28)(H,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis
| Assay Description To measure compound inhibitor effects on the ability of Raf enzymes to phosphorylate the Mek substrate, a capture ELISA utilizing streptavidin-coated... |
J Med Chem 51: 7049-52 (2008)
Article DOI: 10.1021/jm801050k BindingDB Entry DOI: 10.7270/Q2B56H1C |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50344530
(4-(2-(4-bromophenylamino)benzo[d]thiazol-5-yloxy)-...)Show SMILES CNC(=O)c1cc(Oc2ccc3sc(Nc4ccc(Br)cc4)nc3c2)ccn1 Show InChI InChI=1S/C20H15BrN4O2S/c1-22-19(26)17-11-15(8-9-23-17)27-14-6-7-18-16(10-14)25-20(28-18)24-13-4-2-12(21)3-5-13/h2-11H,1H3,(H,22,26)(H,24,25) | 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 | 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-Raf assessed as phosphorylation of MEK1/2 by ELISA |
Bioorg Med Chem Lett 21: 3286-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.023 BindingDB Entry DOI: 10.7270/Q2R78FH0 |
More data for this Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50500936
(CHEMBL3798762)Show SMILES CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(n1)-c1nc2cccc(N3CCNCC3)c2n1C Show InChI InChI=1S/C25H28N8O/c1-31(2)25(34)17-7-4-6-16(14-17)19-15-28-23(26)21(29-19)24-30-18-8-5-9-20(22(18)32(24)3)33-12-10-27-11-13-33/h4-9,14-15,27H,10-13H2,1-3H3,(H2,26,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ERK2-activated full length wild type MNK1a (unknown origin) using biotin-SGSGKRREILSRRPSYR-NH2 as substrate after 2 hrs by HTRF assay |
J Med Chem 59: 3034-45 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01657 BindingDB Entry DOI: 10.7270/Q2RB77MH |
More data for this Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50500933
(CHEMBL3797828)Show SMILES CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(c1)-c1nc2cccc(N3CCNCC3)c2[nH]1 Show InChI InChI=1S/C25H27N7O/c1-31(2)25(33)17-6-3-5-16(13-17)18-14-19(23(26)28-15-18)24-29-20-7-4-8-21(22(20)30-24)32-11-9-27-10-12-32/h3-8,13-15,27H,9-12H2,1-2H3,(H2,26,28)(H,29,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of N-terminal 6His-tagged recombinant human full length wild type MNK2b using biotin-SGSGKRREILSRRPSYR-NH2 as substrate after 1 hr by HTRF... |
J Med Chem 59: 3034-45 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01657 BindingDB Entry DOI: 10.7270/Q2RB77MH |
More data for this Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50500934
(CHEMBL3800585)Show SMILES C[C@H]1CN(CCN1)c1cccc2nc(-c3nc(cnc3N)-c3cc(ccn3)C(=O)N(C)C)n(C)c12 |r| Show InChI InChI=1S/C25H29N9O/c1-15-14-34(11-10-27-15)20-7-5-6-17-22(20)33(4)24(31-17)21-23(26)29-13-19(30-21)18-12-16(8-9-28-18)25(35)32(2)3/h5-9,12-13,15,27H,10-11,14H2,1-4H3,(H2,26,29)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| 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 ERK2-activated full length wild type MNK1a (unknown origin) using biotin-SGSGKRREILSRRPSYR-NH2 as substrate after 2 hrs by HTRF assay |
J Med Chem 59: 3034-45 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01657 BindingDB Entry DOI: 10.7270/Q2RB77MH |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50344542
(4-(2-(4-bromophenylamino)benzo[d]oxazol-5-yloxy)-N...)Show SMILES CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Br)cc4)nc3c2)ccn1 Show InChI InChI=1S/C20H15BrN4O3/c1-22-19(26)17-11-15(8-9-23-17)27-14-6-7-18-16(10-14)25-20(28-18)24-13-4-2-12(21)3-5-13/h2-11H,1H3,(H,22,26)(H,24,25) | 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 | 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-Raf assessed as phosphorylation of MEK1/2 by ELISA |
Bioorg Med Chem Lett 21: 3286-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.023 BindingDB Entry DOI: 10.7270/Q2R78FH0 |
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 Reduced farnesylation of H-ras transformed NIH3T3 cells |
ACS Med Chem Lett 6: 961-5 (2015)
Article DOI: 10.1021/ml500526p BindingDB Entry DOI: 10.7270/Q28W3G4S |
More data for this Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(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
UniProtKB/SwissProt
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 Inhibitory activity towards acetylcholine esterase (AChE) |
ACS Med Chem Lett 6: 961-5 (2015)
Article DOI: 10.1021/ml500526p BindingDB Entry DOI: 10.7270/Q28W3G4S |
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 | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50344527
(4-(2-(4-isopropylphenylamino)benzo[d]thiazol-5-ylo...)Show SMILES CNC(=O)c1cc(Oc2ccc3sc(Nc4ccc(cc4)C(C)C)nc3c2)ccn1 Show InChI InChI=1S/C23H22N4O2S/c1-14(2)15-4-6-16(7-5-15)26-23-27-19-12-17(8-9-21(19)30-23)29-18-10-11-25-20(13-18)22(28)24-3/h4-14H,1-3H3,(H,24,28)(H,26,27) | 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 | 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-Raf assessed as phosphorylation of MEK1/2 by ELISA |
Bioorg Med Chem Lett 21: 3286-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.023 BindingDB Entry DOI: 10.7270/Q2R78FH0 |
More data for this Ligand-Target Pair | |