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BDBM50127867 2-(R)-1-Hydrazinocarbonylmethyl-4-methyl-pentanoic acid [2-(1H-indol-3-yl)-1-methylcarbamoyl-ethyl]-amide::CHEMBL51996

SMILES: CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NN

InChI Key: InChIKey=UQQMFHHUUGVIPE-FWJOYPJLSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50127867   
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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50127867
PNG
(2-(R)-1-Hydrazinocarbonylmethyl-4-methyl-pentanoic...)
Show SMILES CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NN
Show InChI InChI=1S/C20H29N5O3/c1-12(2)8-13(10-18(26)25-21)19(27)24-17(20(28)22-3)9-14-11-23-16-7-5-4-6-15(14)16/h4-7,11-13,17,23H,8-10,21H2,1-3H3,(H,22,28)(H,24,27)(H,25,26)/t13-,17?/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 50n/an/an/an/an/an/a



Université de Reims Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-1


Bioorg Med Chem Lett 13: 1783-6 (2003)


BindingDB Entry DOI: 10.7270/Q2WH2PCT
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50127867
PNG
(2-(R)-1-Hydrazinocarbonylmethyl-4-methyl-pentanoic...)
Show SMILES CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NN
Show InChI InChI=1S/C20H29N5O3/c1-12(2)8-13(10-18(26)25-21)19(27)24-17(20(28)22-3)9-14-11-23-16-7-5-4-6-15(14)16/h4-7,11-13,17,23H,8-10,21H2,1-3H3,(H,22,28)(H,24,27)(H,25,26)/t13-,17?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 550n/an/an/an/an/an/a



Université de Reims Champagne-Ardenne

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 13: 1783-6 (2003)


BindingDB Entry DOI: 10.7270/Q2WH2PCT
More data for this
Ligand-Target Pair