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1 similar compounds to monomer 50002977

Compile data set for download or QSAR
Wt: 691.9
BDBM50002985

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50002985   
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
Cathepsin D


(Bos taurus)
BDBM50002985
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)CCSc1nccs1
Show InChI InChI=1S/C33H49N5O5S3/c1-44-22-27(30(40)36-26(20-23-8-4-2-5-9-23)28(39)14-18-45-32-35-15-19-46-32)37-31(41)29(21-24-10-6-3-7-11-24)43-33(42)38-16-12-25(34)13-17-38/h3,6-7,10-11,15,19,23,25-29,39H,2,4-5,8-9,12-14,16-18,20-22,34H2,1H3,(H,36,40)(H,37,41)/t26-,27-,28-,29-/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
Pepsin A


(Porcine)
BDBM50002985
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)CCSc1nccs1
Show InChI InChI=1S/C33H49N5O5S3/c1-44-22-27(30(40)36-26(20-23-8-4-2-5-9-23)28(39)14-18-45-32-35-15-19-46-32)37-31(41)29(21-24-10-6-3-7-11-24)43-33(42)38-16-12-25(34)13-17-38/h3,6-7,10-11,15,19,23,25-29,39H,2,4-5,8-9,12-14,16-18,20-22,34H2,1H3,(H,36,40)(H,37,41)/t26-,27-,28-,29-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.80E+3n/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
Renin


(Homo sapiens (Human))
BDBM50002985
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)CCSc1nccs1
Show InChI InChI=1S/C33H49N5O5S3/c1-44-22-27(30(40)36-26(20-23-8-4-2-5-9-23)28(39)14-18-45-32-35-15-19-46-32)37-31(41)29(21-24-10-6-3-7-11-24)43-33(42)38-16-12-25(34)13-17-38/h3,6-7,10-11,15,19,23,25-29,39H,2,4-5,8-9,12-14,16-18,20-22,34H2,1H3,(H,36,40)(H,37,41)/t26-,27-,28-,29-/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 5n/an/an/an/a5.5n/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