BDBM50514786 CHEMBL4541406

SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(CNC(=O)CCCCNc3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)cc2)c1F

InChI Key: InChIKey=AAIPPJPUZKZIHC-UHFFFAOYSA-N

Data: 2 Kd

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 = 50514786   

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))	BDBM50514786 (CHEMBL4541406) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(CNC(=O)CCCCNc3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)cc2)c1F Show InChI InChI=1S/C42H39F2N7O8S/c1-2-17-60(58,59)50-32-13-12-31(43)36(37(32)44)38(54)30-22-48-39-28(30)18-25(21-47-39)24-8-6-23(7-9-24)20-46-34(52)5-3-4-16-45-26-10-11-27-29(19-26)42(57)51(41(27)56)33-14-15-35(53)49-40(33)55/h6-13,18-19,21-22,33,45,50H,2-5,14-17,20H2,1H3,(H,46,52)(H,47,48)(H,49,53,55)	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	n/a	9.5	n/a	n/a	n/a	n/a	n/a
Cullgen Inc. Curated by ChEMBL					Assay Description Binding affinity to DNA-tagged BRAF (unknown origin) by KINOMEscan assay				J Med Chem 63: 4069-4080 (2020) Article DOI: 10.1021/acs.jmedchem.9b02083
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50514786 (CHEMBL4541406) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(CNC(=O)CCCCNc3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)cc2)c1F Show InChI InChI=1S/C42H39F2N7O8S/c1-2-17-60(58,59)50-32-13-12-31(43)36(37(32)44)38(54)30-22-48-39-28(30)18-25(21-47-39)24-8-6-23(7-9-24)20-46-34(52)5-3-4-16-45-26-10-11-27-29(19-26)42(57)51(41(27)56)33-14-15-35(53)49-40(33)55/h6-13,18-19,21-22,33,45,50H,2-5,14-17,20H2,1H3,(H,46,52)(H,47,48)(H,49,53,55)	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	n/a	14	n/a	n/a	n/a	n/a	n/a
Cullgen Inc. Curated by ChEMBL					Assay Description Binding affinity to DNA-tagged BRAF (unknown origin) V600E mutant by KINOMEscan assay				J Med Chem 63: 4069-4080 (2020) Article DOI: 10.1021/acs.jmedchem.9b02083
					More data for this Ligand-Target Pair