BDBM50533651 CHEMBL4473176

SMILES: Cc1c(cccc1-n1cnc2cccc(F)c2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O

InChI Key: InChIKey=ORJFFARTKDXDQU-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 = 50533651   

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))	BDBM50533651 (CHEMBL4473176) Show SMILES Cc1c(cccc1-n1cnc2cccc(F)c2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O Show InChI InChI=1S/C31H25FN4O3/c1-16-18(6-4-9-25(16)36-15-34-23-8-5-7-22(32)27(23)30(36)38)19-12-13-21(29(33)37)28-26(19)20-11-10-17(31(2,3)39)14-24(20)35-28/h4-15,35,39H,1-3H3,(H2,33,37)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of BTK in human RamosB cells assessed as suppression of BCR/anti-IgM stimulated calcium flux pre-incubated for 1 hr followed by BCR/anti-I...				J Med Chem 59: 7915-35 (2016) Article DOI: 10.1021/acs.jmedchem.6b00722
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50533651 (CHEMBL4473176) Show SMILES Cc1c(cccc1-n1cnc2cccc(F)c2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O Show InChI InChI=1S/C31H25FN4O3/c1-16-18(6-4-9-25(16)36-15-34-23-8-5-7-22(32)27(23)30(36)38)19-12-13-21(29(33)37)28-26(19)20-11-10-17(31(2,3)39)14-24(20)35-28/h4-15,35,39H,1-3H3,(H2,33,37)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of His-tagged full length human recombinant BTK expressed in baculovirus using fluoresceinated peptide substrate after 60 mins by fluoresc...				J Med Chem 59: 7915-35 (2016) Article DOI: 10.1021/acs.jmedchem.6b00722
					More data for this Ligand-Target Pair