BDBM50194724 CHEMBL3941224

SMILES: Cc1c(cccc1-n1c(=O)n(C)c2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O

InChI Key: InChIKey=PRLKSCAIEJJQQV-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 = 50194724   

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))	BDBM50194724 (CHEMBL3941224) Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(15.19,-30.14,;13.85,-30.89,;12.53,-30.1,;11.19,-30.85,;11.16,-32.39,;12.48,-33.18,;13.83,-32.42,;15.15,-33.2,;15.13,-34.74,;13.78,-35.5,;16.45,-35.53,;16.43,-37.08,;17.79,-34.77,;19.11,-35.56,;20.45,-34.81,;20.47,-33.27,;19.15,-32.49,;17.82,-33.24,;16.49,-32.44,;16.51,-30.91,;12.56,-28.57,;13.91,-27.82,;13.92,-26.27,;12.6,-25.48,;12.62,-23.95,;13.96,-23.19,;11.29,-23.16,;11.26,-26.24,;9.79,-25.73,;8.86,-26.97,;7.33,-27.11,;6.68,-28.5,;7.55,-29.76,;9.09,-29.64,;9.75,-28.24,;11.23,-27.78,;5.14,-28.62,;3.74,-27.97,;5.01,-27.08,;4.49,-30.01,)| Show InChI InChI=1S/C32H28N4O4/c1-17-19(9-7-11-25(17)36-30(38)22-8-5-6-10-26(22)35(4)31(36)39)20-14-15-23(29(33)37)28-27(20)21-13-12-18(32(2,3)40)16-24(21)34-28/h5-16,34,40H,1-4H3,(H2,33,37)	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	2.60	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50194724 (CHEMBL3941224) Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2ccccc2c1=O)-c1ccc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(15.19,-30.14,;13.85,-30.89,;12.53,-30.1,;11.19,-30.85,;11.16,-32.39,;12.48,-33.18,;13.83,-32.42,;15.15,-33.2,;15.13,-34.74,;13.78,-35.5,;16.45,-35.53,;16.43,-37.08,;17.79,-34.77,;19.11,-35.56,;20.45,-34.81,;20.47,-33.27,;19.15,-32.49,;17.82,-33.24,;16.49,-32.44,;16.51,-30.91,;12.56,-28.57,;13.91,-27.82,;13.92,-26.27,;12.6,-25.48,;12.62,-23.95,;13.96,-23.19,;11.29,-23.16,;11.26,-26.24,;9.79,-25.73,;8.86,-26.97,;7.33,-27.11,;6.68,-28.5,;7.55,-29.76,;9.09,-29.64,;9.75,-28.24,;11.23,-27.78,;5.14,-28.62,;3.74,-27.97,;5.01,-27.08,;4.49,-30.01,)| Show InChI InChI=1S/C32H28N4O4/c1-17-19(9-7-11-25(17)36-30(38)22-8-5-6-10-26(22)35(4)31(36)39)20-14-15-23(29(33)37)28-27(20)21-13-12-18(32(2,3)40)16-24(21)34-28/h5-16,34,40H,1-4H3,(H2,33,37)	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	460	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 whole blood assessed as suppression of BCR/anti-IgM/IgG-stimulated CD69 surface expression after 18 hrs with agitation by ...				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