BDBM50111756 CHEMBL3605110

SMILES: CNC(=O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1cccc(c1)C(=O)Nc1ccccc1

InChI Key: InChIKey=FPFMWCDMQBVJRF-FBALAVMGSA-N

Data: 1 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 1 hit for monomerid = 50111756   

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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50111756 (CHEMBL3605110) Show SMILES CNC(=O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1cccc(c1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C22H28N4O9/c23-9-14-17(29)18(30)21(34-14)35-15(10-24-19(31)11-4-2-1-3-5-11)13-8-12(27)20(33-13)26-7-6-16(28)25-22(26)32/h1-7,12-15,17-18,20-21,27,29-30H,8-10,23H2,(H,24,31)(H,25,28,32)/t12-,13+,14-,15+,17-,18-,20-,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	292	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay				Bioorg Med Chem 23: 6059-68 (2015) BindingDB Entry DOI: 10.7270/Q2445P7J
					More data for this Ligand-Target Pair