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BDBM50238242 CHEMBL4094455

SMILES: C[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1

InChI Key:

Data: 8 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 8 hits for monomerid = 50238242   
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))
BDBM50238242
PNG
(CHEMBL4094455)
Show SMILES C[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL




J Med Chem 60: 5933-5939 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00650
BindingDB Entry DOI: 10.7270/Q2Z321XM
More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(Homo sapiens (Human))
BDBM50238242
PNG
(CHEMBL4094455)
Show SMILES C[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL




J Med Chem 60: 5933-5939 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00650
BindingDB Entry DOI: 10.7270/Q2Z321XM
More data for this
Ligand-Target Pair
Matrix metalloproteinase 2/9


(Homo sapiens (Human))
BDBM50238242
PNG
(CHEMBL4094455)
Show SMILES C[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
PDB
MMDB

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PC sid
UniChem
Article
PubMed
n/an/a 280n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL




J Med Chem 60: 5933-5939 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00650
BindingDB Entry DOI: 10.7270/Q2Z321XM
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50238242
PNG
(CHEMBL4094455)
Show SMILES C[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
PDB
MMDB

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PC sid
UniChem
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n/an/a 140n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL




J Med Chem 60: 5933-5939 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00650
BindingDB Entry DOI: 10.7270/Q2Z321XM
More data for this
Ligand-Target Pair
Matrix metalloproteinase 12


(Homo sapiens (Human))
BDBM50238242
PNG
(CHEMBL4094455)
Show SMILES C[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
PDB
MMDB

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n/an/a 7n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Affinity towards cytoplasmic Thymidine kinase relative ot TdR; expressed as KM (TdR)/Ki


J Med Chem 60: 5933-5939 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00650
BindingDB Entry DOI: 10.7270/Q2Z321XM
More data for this
Ligand-Target Pair
Matrix metalloproteinase 14


(Homo sapiens (Human))
BDBM50238242
PNG
(CHEMBL4094455)
Show SMILES C[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL




J Med Chem 60: 5933-5939 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00650
BindingDB Entry DOI: 10.7270/Q2Z321XM
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50238242
PNG
(CHEMBL4094455)
Show SMILES C[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive-noncompetitive inhibition against rat mitochondrial thymidine kinase


J Med Chem 60: 5933-5939 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00650
BindingDB Entry DOI: 10.7270/Q2Z321XM
More data for this
Ligand-Target Pair
Matrix metalloproteinase (2 and 3)


(Homo sapiens (Human))
BDBM50238242
PNG
(CHEMBL4094455)
Show SMILES C[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)NC[C@]1(NC(=O)NC1=O)C1CC1 |r|
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL




J Med Chem 60: 5933-5939 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00650
BindingDB Entry DOI: 10.7270/Q2Z321XM
More data for this
Ligand-Target Pair