BDBM50272202 (2S,5S)-5-(4-cyclohexylbenzylthio)-1-((S)-3-mercapto-2-methylpropanoyl)pyrrolidine-2-carboxylic acid::CHEMBL502817

SMILES: C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCc1ccc(cc1)C1CCCCC1

InChI Key: InChIKey=RTXAZUNBJFJIBI-XPGWFJOJSA-N

Data: 2 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 2 hits for monomerid = 50272202   

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))	BDBM50272202 ((2S,5S)-5-(4-cyclohexylbenzylthio)-1-((S)-3-mercap...) Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCc1ccc(cc1)C1CCCCC1 |r| Show InChI InChI=1S/C22H31NO3S2/c1-15(13-27)21(24)23-19(22(25)26)11-12-20(23)28-14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-10,15,17,19-20,27H,2-6,11-14H2,1H3,(H,25,26)/t15-,19+,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of ACE (unknown origin)				Bioorg Med Chem Lett 18: 4529-32 (2008) Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Cavia porcellus)	BDBM50272202 ((2S,5S)-5-(4-cyclohexylbenzylthio)-1-((S)-3-mercap...) Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCc1ccc(cc1)C1CCCCC1 |r| Show InChI InChI=1S/C22H31NO3S2/c1-15(13-27)21(24)23-19(22(25)26)11-12-20(23)28-14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-10,15,17,19-20,27H,2-6,11-14H2,1H3,(H,25,26)/t15-,19+,20+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of guinea pig lung leukotriene A4 hydrolase				Bioorg Med Chem Lett 18: 4529-32 (2008) Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ
					More data for this Ligand-Target Pair