BDBM50249606 3-acetyl-8-bromo-5-chloro-2-(4-chlorophenylamino)quinolin-4(1H)-one::CHEMBL513042

SMILES: CC(=O)c1c(O)c2c(Cl)ccc(Br)c2nc1Nc1ccc(Cl)cc1

InChI Key: InChIKey=URUPDOIKTMCJNA-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50249606   

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
Calpain1 (Homo sapiens (Human))	BDBM50249606 (3-acetyl-8-bromo-5-chloro-2-(4-chlorophenylamino)q...) Show SMILES CC(=O)c1c(O)c2c(Cl)ccc(Br)c2nc1Nc1ccc(Cl)cc1 Show InChI InChI=1S/C17H11BrCl2N2O2/c1-8(23)13-16(24)14-12(20)7-6-11(18)15(14)22-17(13)21-10-4-2-9(19)3-5-10/h2-7H,1H3,(H2,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes mu-calpain after 30 mins by fluorometric assay using pep1 as substrate				J Med Chem 52: 3093-7 (2009) Article DOI: 10.1021/jm8014734 BindingDB Entry DOI: 10.7270/Q2KK9CQ4
					More data for this Ligand-Target Pair
Calpain1 (Homo sapiens (Human))	BDBM50249606 (3-acetyl-8-bromo-5-chloro-2-(4-chlorophenylamino)q...) Show SMILES CC(=O)c1c(O)c2c(Cl)ccc(Br)c2nc1Nc1ccc(Cl)cc1 Show InChI InChI=1S/C17H11BrCl2N2O2/c1-8(23)13-16(24)14-12(20)7-6-11(18)15(14)22-17(13)21-10-4-2-9(19)3-5-10/h2-7H,1H3,(H2,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes mu-calpain by fluorometric assay using pep2 as substrate				J Med Chem 52: 3093-7 (2009) Article DOI: 10.1021/jm8014734 BindingDB Entry DOI: 10.7270/Q2KK9CQ4
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50249606 (3-acetyl-8-bromo-5-chloro-2-(4-chlorophenylamino)q...) Show SMILES CC(=O)c1c(O)c2c(Cl)ccc(Br)c2nc1Nc1ccc(Cl)cc1 Show InChI InChI=1S/C17H11BrCl2N2O2/c1-8(23)13-16(24)14-12(20)7-6-11(18)15(14)22-17(13)21-10-4-2-9(19)3-5-10/h2-7H,1H3,(H2,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin D after 30 mins by fluorometric end-point assay				J Med Chem 52: 3093-7 (2009) Article DOI: 10.1021/jm8014734 BindingDB Entry DOI: 10.7270/Q2KK9CQ4
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50249606 (3-acetyl-8-bromo-5-chloro-2-(4-chlorophenylamino)q...) Show SMILES CC(=O)c1c(O)c2c(Cl)ccc(Br)c2nc1Nc1ccc(Cl)cc1 Show InChI InChI=1S/C17H11BrCl2N2O2/c1-8(23)13-16(24)14-12(20)7-6-11(18)15(14)22-17(13)21-10-4-2-9(19)3-5-10/h2-7H,1H3,(H2,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin L after 30 mins by fluorometric end-point assay				J Med Chem 52: 3093-7 (2009) Article DOI: 10.1021/jm8014734 BindingDB Entry DOI: 10.7270/Q2KK9CQ4
					More data for this Ligand-Target Pair
Pro-cathepsin H (Homo sapiens (Human))	BDBM50249606 (3-acetyl-8-bromo-5-chloro-2-(4-chlorophenylamino)q...) Show SMILES CC(=O)c1c(O)c2c(Cl)ccc(Br)c2nc1Nc1ccc(Cl)cc1 Show InChI InChI=1S/C17H11BrCl2N2O2/c1-8(23)13-16(24)14-12(20)7-6-11(18)15(14)22-17(13)21-10-4-2-9(19)3-5-10/h2-7H,1H3,(H2,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin H after 30 mins by fluorometric end-point assay				J Med Chem 52: 3093-7 (2009) Article DOI: 10.1021/jm8014734 BindingDB Entry DOI: 10.7270/Q2KK9CQ4
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50249606 (3-acetyl-8-bromo-5-chloro-2-(4-chlorophenylamino)q...) Show SMILES CC(=O)c1c(O)c2c(Cl)ccc(Br)c2nc1Nc1ccc(Cl)cc1 Show InChI InChI=1S/C17H11BrCl2N2O2/c1-8(23)13-16(24)14-12(20)7-6-11(18)15(14)22-17(13)21-10-4-2-9(19)3-5-10/h2-7H,1H3,(H2,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B after 30 mins by fluorometric end-point assay				J Med Chem 52: 3093-7 (2009) Article DOI: 10.1021/jm8014734 BindingDB Entry DOI: 10.7270/Q2KK9CQ4
					More data for this Ligand-Target Pair