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BDBM50238813 CHEMBL4083740

SMILES: CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCCCNC(=O)C=C)c2n1

InChI Key: InChIKey=ILALOCHUUUGKPJ-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50238813   
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
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50238813
PNG
(CHEMBL4083740)
Show SMILES CNc1ncc2cc(-c3c(Cl)c(OC)cc(OC)c3Cl)c(=O)n(CCCCNC(=O)C=C)c2n1 |(28.89,-34.94,;28.89,-33.4,;30.23,-32.63,;30.23,-31.09,;31.56,-30.32,;32.89,-31.08,;34.23,-30.3,;35.57,-31.08,;36.9,-30.32,;36.9,-28.79,;35.56,-28.02,;38.23,-28.02,;38.23,-26.48,;39.56,-25.71,;39.57,-28.79,;39.56,-30.33,;40.9,-31.11,;42.23,-30.34,;38.23,-31.1,;38.22,-32.64,;35.56,-32.63,;36.89,-33.4,;34.22,-33.4,;34.22,-34.94,;35.55,-35.71,;35.54,-37.25,;36.88,-38.03,;36.87,-39.57,;38.2,-40.34,;39.54,-39.57,;38.2,-41.88,;39.53,-42.65,;32.89,-32.63,;31.56,-33.4,)|
Show InChI InChI=1S/C23H25Cl2N5O4/c1-5-17(31)27-8-6-7-9-30-21-13(12-28-23(26-2)29-21)10-14(22(30)32)18-19(24)15(33-3)11-16(34-4)20(18)25/h5,10-12H,1,6-9H2,2-4H3,(H,27,31)(H,26,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Principia Biopharma, Inc.

Curated by ChEMBL


Assay Description
In vitro antagonist activity against rat prostatic androgen receptor (AR)


J Med Chem 60: 6516-6527 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00360
BindingDB Entry DOI: 10.7270/Q2C53P3H
More data for this
Ligand-Target Pair