BDBM50002981 4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclohexylmethyl-2-hydroxy-3-(4-oxo-4H-pyridin-1-yl)-propylcarbamoyl]-2-methylsulfanyl-ethylcarbamoyl}-2-phenyl-ethyl ester::CHEMBL117002

SMILES: CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)Cn1ccc(=O)cc1

InChI Key: InChIKey=RWNFORGFQCZXSD-ORYMTKCHSA-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 = 50002981   

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
Pepsin A (Porcine)	BDBM50002981 (4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...) Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)Cn1ccc(=O)cc1 Show InChI InChI=1S/C34H49N5O6S/c1-46-23-29(32(42)36-28(20-24-8-4-2-5-9-24)30(41)22-38-16-14-27(40)15-17-38)37-33(43)31(21-25-10-6-3-7-11-25)45-34(44)39-18-12-26(35)13-19-39/h3,6-7,10-11,14-17,24,26,28-31,41H,2,4-5,8-9,12-13,18-23,35H2,1H3,(H,36,42)(H,37,43)/t28-,29-,30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured on porcine pepsin.				J Med Chem 35: 3525-36 (1992) BindingDB Entry DOI: 10.7270/Q2DB80S4
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50002981 (4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...) Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)Cn1ccc(=O)cc1 Show InChI InChI=1S/C34H49N5O6S/c1-46-23-29(32(42)36-28(20-24-8-4-2-5-9-24)30(41)22-38-16-14-27(40)15-17-38)37-33(43)31(21-25-10-6-3-7-11-25)45-34(44)39-18-12-26(35)13-19-39/h3,6-7,10-11,14-17,24,26,28-31,41H,2,4-5,8-9,12-13,18-23,35H2,1H3,(H,36,42)(H,37,43)/t28-,29-,30-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	5.5	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro inhibitory activity against human plasma renin at pH 5.5 for suppression of angiotensin I formation.				J Med Chem 35: 3525-36 (1992) BindingDB Entry DOI: 10.7270/Q2DB80S4
					More data for this Ligand-Target Pair
Cathepsin D (Bos taurus)	BDBM50002981 (4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclo...) Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)Cn1ccc(=O)cc1 Show InChI InChI=1S/C34H49N5O6S/c1-46-23-29(32(42)36-28(20-24-8-4-2-5-9-24)30(41)22-38-16-14-27(40)15-17-38)37-33(43)31(21-25-10-6-3-7-11-25)45-34(44)39-18-12-26(35)13-19-39/h3,6-7,10-11,14-17,24,26,28-31,41H,2,4-5,8-9,12-13,18-23,35H2,1H3,(H,36,42)(H,37,43)/t28-,29-,30-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
E. Merck Darmstadt Curated by ChEMBL					Assay Description In vitro inhibitory activity was measured on bovine cathepsin D				J Med Chem 35: 3525-36 (1992) BindingDB Entry DOI: 10.7270/Q2DB80S4
					More data for this Ligand-Target Pair