BDBM50268020 CHEMBL4104859

SMILES: COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2ccccc2Cl)c1F

InChI Key: InChIKey=IJCIUYHKCPCMCR-UHFFFAOYSA-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 = 50268020   

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
Mixed lineage kinase 7 (Homo sapiens (Human))	BDBM50268020 (CHEMBL4104859) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2ccccc2Cl)c1F Show InChI InChI=1S/C21H13ClF2N4O3S/c1-31-21-14-10-12(11-25-20(14)26-27-21)6-7-13-16(23)8-9-17(19(13)24)28-32(29,30)18-5-3-2-4-15(18)22/h2-5,8-11,28H,1H3,(H,25,26,27)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human full-length ZAK expressed in baculovirus infected Sf9 insect cells using MBP as substrate after...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50268020 (CHEMBL4104859) Show SMILES COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2ccccc2Cl)c1F Show InChI InChI=1S/C21H13ClF2N4O3S/c1-31-21-14-10-12(11-25-20(14)26-27-21)6-7-13-16(23)8-9-17(19(13)24)28-32(29,30)18-5-3-2-4-15(18)22/h2-5,8-11,28H,1H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau , Macao, China. Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged recombinant human full-length B-RAF expressed in baculovirus expression system using Ser/Thr3 as substrate after 1...				J Med Chem 60: 5927-5932 (2017) Article DOI: 10.1021/acs.jmedchem.7b00572 BindingDB Entry DOI: 10.7270/Q29G5Q9V
					More data for this Ligand-Target Pair