BindingDB logo
myBDB logout

BDBM50073880 4-tert-Butyl-1-mercaptomethyl-cyclohexanecarboxylic acid ((S)-1-methylcarbamoyl-2-phenyl-ethyl)-amide::CHEMBL302899

SMILES: CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(CS)CC[C@@H](CC1)C(C)(C)C

InChI Key: InChIKey=WYHXXIRJFMUNNJ-NPPFBWRTSA-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 = 50073880   
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
Matrix metalloproteinase-9 (MMP-9)


(Rattus norvegicus (Rat))
BDBM50073880
PNG
(4-tert-Butyl-1-mercaptomethyl-cyclohexanecarboxyli...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(CS)CC[C@@H](CC1)C(C)(C)C
Show InChI InChI=1S/C22H34N2O2S/c1-21(2,3)17-10-12-22(15-27,13-11-17)20(26)24-18(19(25)23-4)14-16-8-6-5-7-9-16/h5-9,17-18,27H,10-15H2,1-4H3,(H,23,25)(H,24,26)/t17-,18-,22+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>1.00E+4n/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
Tissue inhibitor of metalloproteinases-3


(Rattus norvegicus)
BDBM50073880
PNG
(4-tert-Butyl-1-mercaptomethyl-cyclohexanecarboxyli...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(CS)CC[C@@H](CC1)C(C)(C)C
Show InChI InChI=1S/C22H34N2O2S/c1-21(2,3)17-10-12-22(15-27,13-11-17)20(26)24-18(19(25)23-4)14-16-8-6-5-7-9-16/h5-9,17-18,27H,10-15H2,1-4H3,(H,23,25)(H,24,26)/t17-,18-,22+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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