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BDBM50002969 4-Amino-piperidine-1-carboxylic acid 1-{1-[1-cyclohexylmethyl-2-hydroxy-4-(1-methyl-1H-tetrazol-5-ylsulfanyl)-butylcarbamoyl]-2-methylsulfanyl-ethylcarbamoyl}-2-phenyl-ethyl ester::CHEMBL334254

SMILES: CSC[C@H](NC(=O)[C@H](Cc1ccccc1)OC(=O)N1CCC(N)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ncc(CO)n1C

InChI Key: InChIKey=UICFCOFDSWADFQ-ORYMTKCHSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50002969   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Pepsin A


(Porcine)
BDBM50002969
PNG
(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)CCSc1ncc(CO)n1C
Show InChI InChI=1S/C35H54N6O6S2/c1-40-27(22-42)21-37-34(40)49-18-15-30(43)28(19-24-9-5-3-6-10-24)38-32(44)29(23-48-2)39-33(45)31(20-25-11-7-4-8-12-25)47-35(46)41-16-13-26(36)14-17-41/h4,7-8,11-12,21,24,26,28-31,42-43H,3,5-6,9-10,13-20,22-23,36H2,1-2H3,(H,38,44)(H,39,45)/t28-,29-,30-,31-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/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)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50002969
PNG
(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)CCSc1ncc(CO)n1C
Show InChI InChI=1S/C35H54N6O6S2/c1-40-27(22-42)21-37-34(40)49-18-15-30(43)28(19-24-9-5-3-6-10-24)38-32(44)29(23-48-2)39-33(45)31(20-25-11-7-4-8-12-25)47-35(46)41-16-13-26(36)14-17-41/h4,7-8,11-12,21,24,26,28-31,42-43H,3,5-6,9-10,13-20,22-23,36H2,1-2H3,(H,38,44)(H,39,45)/t28-,29-,30-,31-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/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)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50002969
PNG
(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)CCSc1ncc(CO)n1C
Show InChI InChI=1S/C35H54N6O6S2/c1-40-27(22-42)21-37-34(40)49-18-15-30(43)28(19-24-9-5-3-6-10-24)38-32(44)29(23-48-2)39-33(45)31(20-25-11-7-4-8-12-25)47-35(46)41-16-13-26(36)14-17-41/h4,7-8,11-12,21,24,26,28-31,42-43H,3,5-6,9-10,13-20,22-23,36H2,1-2H3,(H,38,44)(H,39,45)/t28-,29-,30-,31-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60n/an/an/an/an/an/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)


Article DOI: 10.1021/jm00097a010
BindingDB Entry DOI: 10.7270/Q2DB80S4
More data for this
Ligand-Target Pair