Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 449.4 BDBM50038584

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

Found 2 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
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50038584 ((S)-1-(4-Carboxy-8-imidazo[1,5-a]pyridin-5-yl-octa...) Show SMILES OC(=O)C(CCCCc1cccc2cncn12)CCC(=O)N1[C@@H](Cc2ccccc12)C(O)=O Show InChI InChI=1S/C25H27N3O5/c29-23(28-21-11-4-2-7-18(21)14-22(28)25(32)33)13-12-17(24(30)31)6-1-3-8-19-9-5-10-20-15-26-16-27(19)20/h2,4-5,7,9-11,15-17,22H,1,3,6,8,12-14H2,(H,30,31)(H,32,33)/t17?,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Tested for 50% inhibition of Angiotensin converting enzyme(ACE) obtained from rabbit lung (in vitro)				J Med Chem 37: 1823-32 (1994) BindingDB Entry DOI: 10.7270/Q280537C
					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50038584 ((S)-1-(4-Carboxy-8-imidazo[1,5-a]pyridin-5-yl-octa...) Show SMILES OC(=O)C(CCCCc1cccc2cncn12)CCC(=O)N1[C@@H](Cc2ccccc12)C(O)=O Show InChI InChI=1S/C25H27N3O5/c29-23(28-21-11-4-2-7-18(21)14-22(28)25(32)33)13-12-17(24(30)31)6-1-3-8-19-9-5-10-20-15-26-16-27(19)20/h2,4-5,7,9-11,15-17,22H,1,3,6,8,12-14H2,(H,30,31)(H,32,33)/t17?,22-/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Tested for 50% inhibition of thromboxane synthase (TxS) in human platelets (in vitro)				J Med Chem 37: 1823-32 (1994) BindingDB Entry DOI: 10.7270/Q280537C
					More data for this Ligand-Target Pair