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BDBM50073890 4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic acid ((S)-1-cyclopentylcarbamoyl-2-phenyl-ethyl)-amide::CHEMBL64390

SMILES: CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCC1

InChI Key: InChIKey=KKIOBDXUQCQOTL-AWRGLXIESA-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 = 50073890   
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
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073890
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCC1
Show InChI InChI=1S/C24H36N2O3S/c1-2-29-20-12-14-24(17-30,15-13-20)23(28)26-21(16-18-8-4-3-5-9-18)22(27)25-19-10-6-7-11-19/h3-5,8-9,19-21,30H,2,6-7,10-17H2,1H3,(H,25,27)(H,26,28)/t20-,21-,24+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 666n/an/an/an/an/an/a



Novartis Biomedical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase-3


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9 (MMP-9)


(Rattus norvegicus (Rat))
BDBM50073890
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCC1
Show InChI InChI=1S/C24H36N2O3S/c1-2-29-20-12-14-24(17-30,15-13-20)23(28)26-21(16-18-8-4-3-5-9-18)22(27)25-19-10-6-7-11-19/h3-5,8-9,19-21,30H,2,6-7,10-17H2,1H3,(H,25,27)(H,26,28)/t20-,21-,24+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 24n/an/an/an/an/an/a



Novartis Biomedical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase-9


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50073890
PNG
(4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...)
Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCC1
Show InChI InChI=1S/C24H36N2O3S/c1-2-29-20-12-14-24(17-30,15-13-20)23(28)26-21(16-18-8-4-3-5-9-18)22(27)25-19-10-6-7-11-19/h3-5,8-9,19-21,30H,2,6-7,10-17H2,1H3,(H,25,27)(H,26,28)/t20-,21-,24+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
n/an/a 561n/an/an/an/an/an/a



Novartis Biomedical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase 1


Citation and Details
More data for this
Ligand-Target Pair