BDBM50194716 CHEMBL3939772

SMILES: CC(C)(O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(c3)-n3cnc4ccccc4c3=O)c21)C(N)=O

InChI Key: InChIKey=QLOZANPUSMPMFG-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50194716   

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))	BDBM50194716 (CHEMBL3939772) Show SMILES CC(C)(O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(c3)-n3cnc4ccccc4c3=O)c21)C(N)=O Show InChI InChI=1S/C30H24N4O3/c1-30(2,37)18-10-11-21-25(15-18)33-27-23(28(31)35)13-12-20(26(21)27)17-6-5-7-19(14-17)34-16-32-24-9-4-3-8-22(24)29(34)36/h3-16,33,37H,1-2H3,(H2,31,35)	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	410	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 Ramos-B cells assessed as suppression of BCR/anti-IgG-stimulated Ca2+ flux after 1 hr incubation in dark by FLIPR1 assay				J Med Chem 59: 9173-9200 (2016) Article DOI: 10.1021/acs.jmedchem.6b01088 BindingDB Entry DOI: 10.7270/Q23T9K5H
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50194716 (CHEMBL3939772) Show SMILES CC(C)(O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(c3)-n3cnc4ccccc4c3=O)c21)C(N)=O Show InChI InChI=1S/C30H24N4O3/c1-30(2,37)18-10-11-21-25(15-18)33-27-23(28(31)35)13-12-20(26(21)27)17-6-5-7-19(14-17)34-16-32-24-9-4-3-8-22(24)29(34)36/h3-16,33,37H,1-2H3,(H2,31,35)	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	410	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))	BDBM50194716 (CHEMBL3939772) Show SMILES CC(C)(O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(c3)-n3cnc4ccccc4c3=O)c21)C(N)=O Show InChI InChI=1S/C30H24N4O3/c1-30(2,37)18-10-11-21-25(15-18)33-27-23(28(31)35)13-12-20(26(21)27)17-6-5-7-19(14-17)34-16-32-24-9-4-3-8-22(24)29(34)36/h3-16,33,37H,1-2H3,(H2,31,35)	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	44	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))	BDBM50194716 (CHEMBL3939772) Show SMILES CC(C)(O)c1ccc2c(c1)[nH]c1c(ccc(-c3cccc(c3)-n3cnc4ccccc4c3=O)c21)C(N)=O Show InChI InChI=1S/C30H24N4O3/c1-30(2,37)18-10-11-21-25(15-18)33-27-23(28(31)35)13-12-20(26(21)27)17-6-5-7-19(14-17)34-16-32-24-9-4-3-8-22(24)29(34)36/h3-16,33,37H,1-2H3,(H2,31,35)	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	44	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 full length recombinant human His-tagged BTK expressed in baculovirus using fluoresceinated peptide incubated for 60 mins by fluorescen...				J Med Chem 59: 9173-9200 (2016) Article DOI: 10.1021/acs.jmedchem.6b01088 BindingDB Entry DOI: 10.7270/Q23T9K5H
					More data for this Ligand-Target Pair