BDBM50457452 SB-590885::SB590885

SMILES: CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2\C(CCc2c1)=N\O)-c1ccncc1

InChI Key: InChIKey=MLSAQOINCGAULQ-QFMPWRQOSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50457452   

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))	BDBM50457452 (SB-590885 | SB590885) Show SMILES CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2\C(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/h3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30)/b31-24+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Albert Einstein College of Medicine Curated by ChEMBL					Assay Description Inhibition of full length human 6His-tagged BRAF V600E mutant expressed in baculovirus infected insect cells co-expressing human CDC37 (1 to 378 resi...				J Med Chem 61: 5775-5793 (2018) Article DOI: 10.1021/acs.jmedchem.7b01306 BindingDB Entry DOI: 10.7270/Q2J968ZT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50457452 (SB-590885 | SB590885) Show SMILES CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2\C(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/h3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30)/b31-24+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Albert Einstein College of Medicine Curated by ChEMBL					Assay Description Inhibition of BRAF V600E mutant in human A375 cells assessed as reduction in ERK phosphorylation by immunoblot analysis				J Med Chem 61: 5775-5793 (2018) Article DOI: 10.1021/acs.jmedchem.7b01306 BindingDB Entry DOI: 10.7270/Q2J968ZT
					More data for this Ligand-Target Pair