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BDBM50033860 CHEMBL3358152

SMILES: C[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O

InChI Key: InChIKey=GPHYVVDMOPSOAK-YQTOOIBONA-N

Data: 3 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 3 hits for monomerid = 50033860   
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
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)


(Homo sapiens (Human))
BDBM50033860
PNG
(CHEMBL3358152)
Show SMILES C[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O |r|
Show InChI InChI=1/C14H12ClN3O4/c1-14(12(20)17-13(21)18-14)6-16-11(19)10-5-7-4-8(15)2-3-9(7)22-10/h2-5H,6H2,1H3,(H,16,19)(H2,17,18,20,21)/t14-/s2
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-4 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033860
PNG
(CHEMBL3358152)
Show SMILES C[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O |r|
Show InChI InChI=1/C14H12ClN3O4/c1-14(12(20)17-13(21)18-14)6-16-11(19)10-5-7-4-8(15)2-3-9(7)22-10/h2-5H,6H2,1H3,(H,16,19)(H2,17,18,20,21)/t14-/s2
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay in presence of 50% rat plasma


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50033860
PNG
(CHEMBL3358152)
Show SMILES C[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O |r|
Show InChI InChI=1/C14H12ClN3O4/c1-14(12(20)17-13(21)18-14)6-16-11(19)10-5-7-4-8(15)2-3-9(7)22-10/h2-5H,6H2,1H3,(H,16,19)(H2,17,18,20,21)/t14-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human ADAMTS-5 using VQTVTWPDMELPLPRNITEGEARGSVILTVKPIFEVSPSPLKG peptide substrate by AlphaScreen assay


J Med Chem 57: 10476-85 (2014)


Article DOI: 10.1021/jm501522n
BindingDB Entry DOI: 10.7270/Q2K35W85
More data for this
Ligand-Target Pair