Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 411.4 BDBM51685

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
dTDP-4-dehydrorhamnose 3,5-epimerase (Mycobacterium tuberculosis H37Rv)	BDBM51685 (4-methoxy-N-[(8-phenylmethoxy-2-quinolinyl)methyli...) Show SMILES COc1ccc(cc1)C(=O)NN=Cc1ccc2cccc(OCc3ccccc3)c2n1 |w:11.11| Show InChI InChI=1S/C25H21N3O3/c1-30-22-14-11-20(12-15-22)25(29)28-26-16-21-13-10-19-8-5-9-23(24(19)27-21)31-17-18-6-3-2-4-7-18/h2-16H,17H2,1H3,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2TD9VRT
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM51685 (4-methoxy-N-[(8-phenylmethoxy-2-quinolinyl)methyli...) Show SMILES COc1ccc(cc1)C(=O)NN=Cc1ccc2cccc(OCc3ccccc3)c2n1 |w:11.11| Show InChI InChI=1S/C25H21N3O3/c1-30-22-14-11-20(12-15-22)25(29)28-26-16-21-13-10-19-8-5-9-23(24(19)27-21)31-17-18-6-3-2-4-7-18/h2-16H,17H2,1H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20V8B80
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM51685 (4-methoxy-N-[(8-phenylmethoxy-2-quinolinyl)methyli...) Show SMILES COc1ccc(cc1)C(=O)NN=Cc1ccc2cccc(OCc3ccccc3)c2n1 |w:11.11| Show InChI InChI=1S/C25H21N3O3/c1-30-22-14-11-20(12-15-22)25(29)28-26-16-21-13-10-19-8-5-9-23(24(19)27-21)31-17-18-6-3-2-4-7-18/h2-16H,17H2,1H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>8.53E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q24M9315
					More data for this Ligand-Target Pair