BDBM50403250 CHEMBL51780

SMILES: OC(=O)CN1c2ccccc2SC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O

InChI Key: InChIKey=FPUIOUHUIOAZBC-CVEARBPZSA-N

Data: 4 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 4 hits for monomerid = 50403250   

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
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50403250 (CHEMBL51780) Show SMILES OC(=O)CN1c2ccccc2SC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O Show InChI InChI=1S/C21H22N2O4S2/c24-19(25)11-23-17-8-4-5-9-18(17)29-13-16(21(23)27)22-20(26)15(12-28)10-14-6-2-1-3-7-14/h1-9,15-16,28H,10-13H2,(H,22,26)(H,24,25)/t15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for inhibition of Angiotensin converting enzyme (ACE)				Bioorg Med Chem Lett 4: 1789-1794 (1994) Article DOI: 10.1016/S0960-894X(01)80372-3 BindingDB Entry DOI: 10.7270/Q22Z16PQ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50403250 (CHEMBL51780) Show SMILES OC(=O)CN1c2ccccc2SC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O Show InChI InChI=1S/C21H22N2O4S2/c24-19(25)11-23-17-8-4-5-9-18(17)29-13-16(21(23)27)22-20(26)15(12-28)10-14-6-2-1-3-7-14/h1-9,15-16,28H,10-13H2,(H,22,26)(H,24,25)/t15-,16+/m1/s1	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of angiotensin converting enzyme isolated from rat lung.				Bioorg Med Chem Lett 4: 2193-2198 (1994) Article DOI: 10.1016/S0960-894X(00)80070-0 BindingDB Entry DOI: 10.7270/Q2F47Q9D
					More data for this Ligand-Target Pair
Neutral Endopeptidase (NEP) (Rattus norvegicus (Rat))	BDBM50403250 (CHEMBL51780) Show SMILES OC(=O)CN1c2ccccc2SC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O Show InChI InChI=1S/C21H22N2O4S2/c24-19(25)11-23-17-8-4-5-9-18(17)29-13-16(21(23)27)22-20(26)15(12-28)10-14-6-2-1-3-7-14/h1-9,15-16,28H,10-13H2,(H,22,26)(H,24,25)/t15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of Neutral Endopeptidase isolated from rat kidney.				Bioorg Med Chem Lett 4: 2193-2198 (1994) Article DOI: 10.1016/S0960-894X(00)80070-0 BindingDB Entry DOI: 10.7270/Q2F47Q9D
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50403250 (CHEMBL51780) Show SMILES OC(=O)CN1c2ccccc2SC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O Show InChI InChI=1S/C21H22N2O4S2/c24-19(25)11-23-17-8-4-5-9-18(17)29-13-16(21(23)27)22-20(26)15(12-28)10-14-6-2-1-3-7-14/h1-9,15-16,28H,10-13H2,(H,22,26)(H,24,25)/t15-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for inhibition of neutral endopeptidase (NEP)				Bioorg Med Chem Lett 4: 1789-1794 (1994) Article DOI: 10.1016/S0960-894X(01)80372-3 BindingDB Entry DOI: 10.7270/Q22Z16PQ
					More data for this Ligand-Target Pair