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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epithelial discoidin domain-containing receptor 1' and Ligand = 'BDBM50368553'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))		BDBM50368553
PNG
(CHEMBL4165977)
Show SMILES CCc1ccc(cc1C#Cc1ccco1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H28F3N3O2/c1-3-21-6-7-23(17-22(21)8-9-26-5-4-14-36-26)27(35)32-25-16-20(15-24(18-25)28(29,30)31)19-34-12-10-33(2)11-13-34/h4-7,14-18H,3,10-13,19H2,1-2H3,(H,32,35)
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of DDR1 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay

J Med Chem 61: 7977-7990 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01045
BindingDB Entry DOI: 10.7270/Q24Q7XHN
More data for this
Ligand-Target Pair