BDBM55745 MLS000715219::N-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)-(3,4-dimethoxyphenyl)methyl]propanamide::N-[(5-chloro-8-hydroxy-7-quinolinyl)-(3,4-dimethoxyphenyl)methyl]propanamide::N-[(5-chloro-8-hydroxy-7-quinolyl)-(3,4-dimethoxyphenyl)methyl]propionamide::N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3,4-dimethoxyphenyl)methyl]propanamide::SMR000275198::cid_2921752

SMILES: CCC(=O)NC(c1ccc(OC)c(OC)c1)c1cc(Cl)c2cccnc2c1O

InChI Key: InChIKey=ZMWXCFUGRBATKA-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

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 = 55745   

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
neutrophil cytosolic factor 1 (Homo sapiens (Human))	BDBM55745 (MLS000715219 | N-[(5-chloranyl-8-oxidanyl-quinolin...) Show SMILES CCC(=O)NC(c1ccc(OC)c(OC)c1)c1cc(Cl)c2cccnc2c1O Show InChI InChI=1S/C21H21ClN2O4/c1-4-18(25)24-19(12-7-8-16(27-2)17(10-12)28-3)14-11-15(22)13-6-5-9-23-20(13)21(14)26/h5-11,19,26H,4H2,1-3H3,(H,24,25)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2M90723
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM55745 (MLS000715219 | N-[(5-chloranyl-8-oxidanyl-quinolin...) Show SMILES CCC(=O)NC(c1ccc(OC)c(OC)c1)c1cc(Cl)c2cccnc2c1O Show InChI InChI=1S/C21H21ClN2O4/c1-4-18(25)24-19(12-7-8-16(27-2)17(10-12)28-3)14-11-15(22)13-6-5-9-23-20(13)21(14)26/h5-11,19,26H,4H2,1-3H3,(H,24,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity				J Med Chem 56: 2311-22 (2013) Article DOI: 10.1021/jm301632e BindingDB Entry DOI: 10.7270/Q2348P98
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM55745 (MLS000715219 | N-[(5-chloranyl-8-oxidanyl-quinolin...) Show SMILES CCC(=O)NC(c1ccc(OC)c(OC)c1)c1cc(Cl)c2cccnc2c1O Show InChI InChI=1S/C21H21ClN2O4/c1-4-18(25)24-19(12-7-8-16(27-2)17(10-12)28-3)14-11-15(22)13-6-5-9-23-20(13)21(14)26/h5-11,19,26H,4H2,1-3H3,(H,24,25)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase 3'-processing activity				J Med Chem 56: 2311-22 (2013) Article DOI: 10.1021/jm301632e BindingDB Entry DOI: 10.7270/Q2348P98
					More data for this Ligand-Target Pair
streptokinase A precursor (Streptococcus pyogenes M1 GAS)	BDBM55745 (MLS000715219 | N-[(5-chloranyl-8-oxidanyl-quinolin...) Show SMILES CCC(=O)NC(c1ccc(OC)c(OC)c1)c1cc(Cl)c2cccnc2c1O Show InChI InChI=1S/C21H21ClN2O4/c1-4-18(25)24-19(12-7-8-16(27-2)17(10-12)28-3)14-11-15(22)13-6-5-9-23-20(13)21(14)26/h5-11,19,26H,4H2,1-3H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2736PBV
					More data for this Ligand-Target Pair