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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(1A) dopamine receptor' and Ligand = 'BDBM372133'   
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
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM372133
PNG
(N-(2-hydroxyethyl)-2-[8-(1H-indazole-5-carbonyl)-4...)
Show SMILES OCCN(CC(F)(F)F)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O
Show InChI InChI=1S/C27H29F3N6O4/c28-27(29,30)17-34(12-13-37)23(38)16-35-18-36(21-4-2-1-3-5-21)26(25(35)40)8-10-33(11-9-26)24(39)19-6-7-22-20(14-19)15-31-32-22/h1-7,14-15,37H,8-13,16-18H2,(H,31,32)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 36.3n/an/an/an/an/an/a



Georgia Institute of Technology



Assay Description
This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...

J Med Chem 51: 2816-32 (2008)


BindingDB Entry DOI: 10.7270/Q2D220ZB
More data for this
Ligand-Target Pair