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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50241374'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Stromelysin-1


(Homo sapiens (Human))
BDBM50241374
PNG
((S)-1-(3-cyclohexyl-1-(methylamino)-1-oxopropan-2-...)
Show SMILES CNC(=O)[C@H](CC1CCCCC1)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C13H21N5O2S2/c1-14-10(19)9(7-8-5-3-2-4-6-8)15-11(20)16-12-17-18-13(21)22-12/h8-9H,2-7H2,1H3,(H,14,19)(H,18,21)(H2,15,16,17,20)/t9-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
4.07E+3n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50241374
PNG
((S)-1-(3-cyclohexyl-1-(methylamino)-1-oxopropan-2-...)
Show SMILES CNC(=O)[C@H](CC1CCCCC1)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C13H21N5O2S2/c1-14-10(19)9(7-8-5-3-2-4-6-8)15-11(20)16-12-17-18-13(21)22-12/h8-9H,2-7H2,1H3,(H,14,19)(H,18,21)(H2,15,16,17,20)/t9-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.10E+3n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-3


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair