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SMILES: Nc1nccc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)c1C#CCO

InChI Key: InChIKey=HGHDKUIVPHCCKQ-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50272013   
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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50272013
PNG
(1-(4-(2-amino-3-(3-hydroxyprop-1-ynyl)pyridin-4-yl...)
Show SMILES Nc1nccc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)c1C#CCO
Show InChI InChI=1S/C23H18F2N4O4/c24-15-5-3-14(4-6-15)12-21(31)29-23(32)28-16-7-8-20(18(25)13-16)33-19-9-10-27-22(26)17(19)2-1-11-30/h3-10,13,30H,11-12H2,(H2,26,27)(H2,28,29,31,32)
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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Met kinase (unknown origin)


Bioorg Med Chem Lett 18: 3224-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.047
BindingDB Entry DOI: 10.7270/Q2XG9QX1
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50272013
PNG
(1-(4-(2-amino-3-(3-hydroxyprop-1-ynyl)pyridin-4-yl...)
Show SMILES Nc1nccc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)c1C#CCO
Show InChI InChI=1S/C23H18F2N4O4/c24-15-5-3-14(4-6-15)12-21(31)29-23(32)28-16-7-8-20(18(25)13-16)33-19-9-10-27-22(26)17(19)2-1-11-30/h3-10,13,30H,11-12H2,(H2,26,27)(H2,28,29,31,32)
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KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human c-MET


Eur J Med Chem 46: 3675-80 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.031
BindingDB Entry DOI: 10.7270/Q2891676
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50272013
PNG
(1-(4-(2-amino-3-(3-hydroxyprop-1-ynyl)pyridin-4-yl...)
Show SMILES Nc1nccc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)c1C#CCO
Show InChI InChI=1S/C23H18F2N4O4/c24-15-5-3-14(4-6-15)12-21(31)29-23(32)28-16-7-8-20(18(25)13-16)33-19-9-10-27-22(26)17(19)2-1-11-30/h3-10,13,30H,11-12H2,(H2,26,27)(H2,28,29,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


Bioorg Med Chem Lett 18: 3224-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.047
BindingDB Entry DOI: 10.7270/Q2XG9QX1
More data for this
Ligand-Target Pair