Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50014879 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)) | BDBM50404281
(CHEMBL2111784)Show SMILES C[C@H](Nc1cc(ccn1)-c1sc(nc1-c1ccc(F)cc1)C1CCN(C)CC1)c1ccccc1 Show InChI InChI=1S/C28H29FN4S/c1-19(20-6-4-3-5-7-20)31-25-18-23(12-15-30-25)27-26(21-8-10-24(29)11-9-21)32-28(34-27)22-13-16-33(2)17-14-22/h3-12,15,18-19,22H,13-14,16-17H2,1-2H3,(H,30,31)/t19-/m0/s1 | 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 | 2.10E+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 human RAF proto-oncogene serine/threonine-protein kinase |
Bioorg Med Chem Lett 14: 3595-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.106 BindingDB Entry DOI: 10.7270/Q2V69J2C |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50148690
(4-[5-(2-Cyclohexylamino-pyridin-4-yl)-4-(4-fluoro-...)Show SMILES OC1(CCNCC1)c1nc(c(o1)-c1ccnc(NC2CCCCC2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H29FN4O2/c26-19-8-6-17(7-9-19)22-23(32-24(30-22)25(31)11-14-27-15-12-25)18-10-13-28-21(16-18)29-20-4-2-1-3-5-20/h6-10,13,16,20,27,31H,1-5,11-12,14-15H2,(H,28,29) | 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 | 8.70E+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 human RAF proto-oncogene serine/threonine-protein kinase |
Bioorg Med Chem Lett 14: 3595-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.106 BindingDB Entry DOI: 10.7270/Q2V69J2C |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50148692
(CHEMBL120185 | Cyclopentyl-{4-[2-(4-fluoro-phenyl)...)Show SMILES CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1 Show InChI InChI=1S/C26H29FN8/c1-33-14-16-34(17-15-33)22-11-10-21-24(30-22)32-25(18-6-8-19(27)9-7-18)35(21)23-12-13-28-26(31-23)29-20-4-2-3-5-20/h6-13,20H,2-5,14-17H2,1H3,(H,28,29,31) | 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 | >1.00E+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 human RAF proto-oncogene serine/threonine-protein kinase |
Bioorg Med Chem Lett 14: 3595-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.106 BindingDB Entry DOI: 10.7270/Q2V69J2C |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50148694
(4-[1-(2-Cyclopentylamino-pyrimidin-4-yl)-2-(3-trif...)Show SMILES CN1CCC(O)(CC1)c1cn(c(n1)-c1cccc(c1)C(F)(F)F)-c1ccnc(NC2CCCC2)n1 Show InChI InChI=1S/C25H29F3N6O/c1-33-13-10-24(35,11-14-33)20-16-34(21-9-12-29-23(32-21)30-19-7-2-3-8-19)22(31-20)17-5-4-6-18(15-17)25(26,27)28/h4-6,9,12,15-16,19,35H,2-3,7-8,10-11,13-14H2,1H3,(H,29,30,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+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 human RAF proto-oncogene serine/threonine-protein kinase |
Bioorg Med Chem Lett 14: 3595-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.106 BindingDB Entry DOI: 10.7270/Q2V69J2C |
More data for this Ligand-Target Pair | |