BDBM50250153 3-acetyl-2-(4-tert-butylphenylamino)-8-chloro-6-nitroquinolin-4(1H)-one::CHEMBL521636

SMILES: CC(=O)c1c(Nc2ccc(cc2)C(C)(C)C)nc2c(Cl)cc(cc2c1O)[N+]([O-])=O

InChI Key: InChIKey=XXOWAPKTUPTIDL-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 = 50250153   

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))	BDBM50250153 (3-acetyl-2-(4-tert-butylphenylamino)-8-chloro-6-ni...) Show SMILES CC(=O)c1c(Nc2ccc(cc2)C(C)(C)C)nc2c(Cl)cc(cc2c1O)[N+]([O-])=O Show InChI InChI=1S/C21H20ClN3O4/c1-11(26)17-19(27)15-9-14(25(28)29)10-16(22)18(15)24-20(17)23-13-7-5-12(6-8-13)21(2,3)4/h5-10H,1-4H3,(H2,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.69E+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))	BDBM50250153 (3-acetyl-2-(4-tert-butylphenylamino)-8-chloro-6-ni...) Show SMILES CC(=O)c1c(Nc2ccc(cc2)C(C)(C)C)nc2c(Cl)cc(cc2c1O)[N+]([O-])=O Show InChI InChI=1S/C21H20ClN3O4/c1-11(26)17-19(27)15-9-14(25(28)29)10-16(22)18(15)24-20(17)23-13-7-5-12(6-8-13)21(2,3)4/h5-10H,1-4H3,(H2,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.43E+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))	BDBM50250153 (3-acetyl-2-(4-tert-butylphenylamino)-8-chloro-6-ni...) Show SMILES CC(=O)c1c(Nc2ccc(cc2)C(C)(C)C)nc2c(Cl)cc(cc2c1O)[N+]([O-])=O Show InChI InChI=1S/C21H20ClN3O4/c1-11(26)17-19(27)15-9-14(25(28)29)10-16(22)18(15)24-20(17)23-13-7-5-12(6-8-13)21(2,3)4/h5-10H,1-4H3,(H2,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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))	BDBM50250153 (3-acetyl-2-(4-tert-butylphenylamino)-8-chloro-6-ni...) Show SMILES CC(=O)c1c(Nc2ccc(cc2)C(C)(C)C)nc2c(Cl)cc(cc2c1O)[N+]([O-])=O Show InChI InChI=1S/C21H20ClN3O4/c1-11(26)17-19(27)15-9-14(25(28)29)10-16(22)18(15)24-20(17)23-13-7-5-12(6-8-13)21(2,3)4/h5-10H,1-4H3,(H2,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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))	BDBM50250153 (3-acetyl-2-(4-tert-butylphenylamino)-8-chloro-6-ni...) Show SMILES CC(=O)c1c(Nc2ccc(cc2)C(C)(C)C)nc2c(Cl)cc(cc2c1O)[N+]([O-])=O Show InChI InChI=1S/C21H20ClN3O4/c1-11(26)17-19(27)15-9-14(25(28)29)10-16(22)18(15)24-20(17)23-13-7-5-12(6-8-13)21(2,3)4/h5-10H,1-4H3,(H2,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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))	BDBM50250153 (3-acetyl-2-(4-tert-butylphenylamino)-8-chloro-6-ni...) Show SMILES CC(=O)c1c(Nc2ccc(cc2)C(C)(C)C)nc2c(Cl)cc(cc2c1O)[N+]([O-])=O Show InChI InChI=1S/C21H20ClN3O4/c1-11(26)17-19(27)15-9-14(25(28)29)10-16(22)18(15)24-20(17)23-13-7-5-12(6-8-13)21(2,3)4/h5-10H,1-4H3,(H2,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.11	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