BDBM50343948 (5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)(5-(pyridin-2-yl)thiophen-2-yl)methanone::CHEMBL1778666::rac-(5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)(5-(pyridin-2-yl)thiophen-2-yl)methanone
SMILES: Oc1ccccc1C1CC(=NN1C(=O)c1ccc(s1)-c1ccccn1)c1cccnc1
InChI Key: InChIKey=QPGIWMWTJYDFOF-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50343948 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)) | BDBM50343948
((5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-...)Show SMILES Oc1ccccc1C1CC(=NN1C(=O)c1ccc(s1)-c1ccccn1)c1cccnc1 |c:10| Show InChI InChI=1S/C24H18N4O2S/c29-21-9-2-1-7-17(21)20-14-19(16-6-5-12-25-15-16)27-28(20)24(30)23-11-10-22(31-23)18-8-3-4-13-26-18/h1-13,15,20,29H,14H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of B-Raf |
Bioorg Med Chem Lett 20: 4800-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.113 BindingDB Entry DOI: 10.7270/Q2MP53M9 |
More data for this Ligand-Target Pair | |
RAF proto-oncogene serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50343948
((5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-...)Show SMILES Oc1ccccc1C1CC(=NN1C(=O)c1ccc(s1)-c1ccccn1)c1cccnc1 |c:10| Show InChI InChI=1S/C24H18N4O2S/c29-21-9-2-1-7-17(21)20-14-19(16-6-5-12-25-15-16)27-28(20)24(30)23-11-10-22(31-23)18-8-3-4-13-26-18/h1-13,15,20,29H,14H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of C-Raf |
Bioorg Med Chem Lett 20: 4800-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.113 BindingDB Entry DOI: 10.7270/Q2MP53M9 |
More data for this Ligand-Target Pair | |