BDBM50215767 2-((2-carbamothioylpyridin-4-yl)methylamino)-N-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)benzamide::CHEMBL248258

SMILES: NC(=S)c1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1

InChI Key: InChIKey=DIOLCKJIPOAFOB-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 = 50215767   

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))	BDBM50215767 (2-((2-carbamothioylpyridin-4-yl)methylamino)-N-(2,...) Show SMILES NC(=S)c1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1 Show InChI InChI=1S/C21H16F2N4O3S/c22-21(23)29-17-6-5-13(10-18(17)30-21)27-20(28)14-3-1-2-4-15(14)26-11-12-7-8-25-16(9-12)19(24)31/h1-10,26H,11H2,(H2,24,31)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibition of b-Raf				Bioorg Med Chem Lett 17: 4378-81 (2007) Article DOI: 10.1016/j.bmcl.2007.02.075 BindingDB Entry DOI: 10.7270/Q28K78S7
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50215767 (2-((2-carbamothioylpyridin-4-yl)methylamino)-N-(2,...) Show SMILES NC(=S)c1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1 Show InChI InChI=1S/C21H16F2N4O3S/c22-21(23)29-17-6-5-13(10-18(17)30-21)27-20(28)14-3-1-2-4-15(14)26-11-12-7-8-25-16(9-12)19(24)31/h1-10,26H,11H2,(H2,24,31)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Research Center Curated by ChEMBL					Assay Description Inhibition of human recombinant cKit by FRET assay				Bioorg Med Chem Lett 17: 4378-81 (2007) Article DOI: 10.1016/j.bmcl.2007.02.075 BindingDB Entry DOI: 10.7270/Q28K78S7
					More data for this Ligand-Target Pair