BDBM65595 MLS001204096::N-[(3-methoxyphenyl)-(8-oxidanylquinolin-7-yl)methyl]ethanamide::N-[(8-Hydroxy-quinolin-7-yl)-(3-methoxy-phenyl)-methyl]-acetamide::N-[(8-hydroxy-7-quinolinyl)-(3-methoxyphenyl)methyl]acetamide::N-[(8-hydroxy-7-quinolyl)-(3-methoxyphenyl)methyl]acetamide::N-[(8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]acetamide::SMR000516877::cid_3132202

SMILES: COc1cccc(c1)C(NC(C)=O)c1ccc2cccnc2c1O

InChI Key: InChIKey=XNISVWUYQDHGJO-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 65595   

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
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM65595 (MLS001204096 | N-[(3-methoxyphenyl)-(8-oxidanylqui...) Show SMILES COc1cccc(c1)C(NC(C)=O)c1ccc2cccnc2c1O Show InChI InChI=1S/C19H18N2O3/c1-12(22)21-17(14-5-3-7-15(11-14)24-2)16-9-8-13-6-4-10-20-18(13)19(16)23/h3-11,17,23H,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase 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
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of Clostridium botulinum BoNT/A LC expressed in Escherichia coli assessed as cleavage of SNAPtide preincubated for 5 mins followed by SNAP...				J Med Chem 57: 669-76 (2014) Article DOI: 10.1021/jm4012164 BindingDB Entry DOI: 10.7270/Q2GH9KDZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM65595 (MLS001204096 | N-[(3-methoxyphenyl)-(8-oxidanylqui...) Show SMILES COc1cccc(c1)C(NC(C)=O)c1ccc2cccnc2c1O Show InChI InChI=1S/C19H18N2O3/c1-12(22)21-17(14-5-3-7-15(11-14)24-2)16-9-8-13-6-4-10-20-18(13)19(16)23/h3-11,17,23H,1-2H3,(H,21,22)	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)	BDBM65595 (MLS001204096 | N-[(3-methoxyphenyl)-(8-oxidanylqui...) Show SMILES COc1cccc(c1)C(NC(C)=O)c1ccc2cccnc2c1O Show InChI InChI=1S/C19H18N2O3/c1-12(22)21-17(14-5-3-7-15(11-14)24-2)16-9-8-13-6-4-10-20-18(13)19(16)23/h3-11,17,23H,1-2H3,(H,21,22)	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