BDBM50484261 CHEMBL1822246

SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(Br)c3c2)c1F

InChI Key: InChIKey=NBQINCNBHMKBQV-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50484261   

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))	BDBM50484261 (CHEMBL1822246) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(Br)c3c2)c1F Show InChI InChI=1S/C17H15BrF2N4O3S/c1-2-5-28(26,27)24-13-4-3-12(19)14(15(13)20)17(25)23-9-6-10-11(18)8-22-16(10)21-7-9/h3-4,6-8,24H,2,5H2,1H3,(H,21,22)(H,23,25)	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	39	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human MALME-3M cells after 1 hr by fluorescence analysis				ACS Med Chem Lett 2: 342-7 (2011) Article DOI: 10.1021/ml200025q BindingDB Entry DOI: 10.7270/Q2H134VM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50484261 (CHEMBL1822246) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(Br)c3c2)c1F Show InChI InChI=1S/C17H15BrF2N4O3S/c1-2-5-28(26,27)24-13-4-3-12(19)14(15(13)20)17(25)23-9-6-10-11(18)8-22-16(10)21-7-9/h3-4,6-8,24H,2,5H2,1H3,(H,21,22)(H,23,25)	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	3.40	n/a	n/a	n/a	n/a	n/a	n/a
ArrayBioPharma Curated by ChEMBL					Assay Description Inhibition of full length B-Raf V600E mutant				Bioorg Med Chem Lett 21: 5533-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.097 BindingDB Entry DOI: 10.7270/Q28K7CX8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50484261 (CHEMBL1822246) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(Br)c3c2)c1F Show InChI InChI=1S/C17H15BrF2N4O3S/c1-2-5-28(26,27)24-13-4-3-12(19)14(15(13)20)17(25)23-9-6-10-11(18)8-22-16(10)21-7-9/h3-4,6-8,24H,2,5H2,1H3,(H,21,22)(H,23,25)	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	190	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of B-Raf V600E mutant-mediated Erk phosphorylation in human A375 cells after 1 hr by fluorescence analysis				ACS Med Chem Lett 2: 342-7 (2011) Article DOI: 10.1021/ml200025q BindingDB Entry DOI: 10.7270/Q2H134VM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50484261 (CHEMBL1822246) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(Br)c3c2)c1F Show InChI InChI=1S/C17H15BrF2N4O3S/c1-2-5-28(26,27)24-13-4-3-12(19)14(15(13)20)17(25)23-9-6-10-11(18)8-22-16(10)21-7-9/h3-4,6-8,24H,2,5H2,1H3,(H,21,22)(H,23,25)	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	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of full length human B-Raf V600E mutant expressed in baculovirus infected insect cells assessed as [gamma-33P]incorporation into MEK after...				ACS Med Chem Lett 2: 342-7 (2011) Article DOI: 10.1021/ml200025q BindingDB Entry DOI: 10.7270/Q2H134VM
					More data for this Ligand-Target Pair