BDBM50533652 CHEMBL4543505

SMILES: Cc1c(cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)N1Cc2ccc(F)cc2C1=O

InChI Key: InChIKey=VVJGEJVGPIRMKO-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 = 50533652   

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))	BDBM50533652 (CHEMBL4543505) Show SMILES Cc1c(cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)N1Cc2ccc(F)cc2C1=O Show InChI InChI=1S/C31H26FN3O3/c1-16-20(5-4-6-26(16)35-15-17-7-9-19(32)14-24(17)30(35)37)21-11-12-23(29(33)36)28-27(21)22-10-8-18(31(2,3)38)13-25(22)34-28/h4-14,34,38H,15H2,1-3H3,(H2,33,36)	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	2	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50533652 (CHEMBL4543505) Show SMILES Cc1c(cccc1-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)N1Cc2ccc(F)cc2C1=O Show InChI InChI=1S/C31H26FN3O3/c1-16-20(5-4-6-26(16)35-15-17-7-9-19(32)14-24(17)30(35)37)21-11-12-23(29(33)36)28-27(21)22-10-8-18(31(2,3)38)13-25(22)34-28/h4-14,34,38H,15H2,1-3H3,(H2,33,36)	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	48	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