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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 = 'BDBM50214405'   
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))		BDBM50214405
PNG
((6aR,9R)-N-((S)-1-((S)-1-((S)-2-carbamoylpyrrolidi...)
Show SMILES CC(C)[C@H](NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N1CCC[C@H]1C(N)=O |c:22|
Show InChI InChI=1S/C35H41N7O6/c1-19(2)31(39-33(44)22-15-25-24-6-4-7-26-30(24)21(17-37-26)16-29(25)40(3)18-22)34(45)38-27(14-20-9-11-23(12-10-20)42(47)48)35(46)41-13-5-8-28(41)32(36)43/h4,6-7,9-12,15,17,19,22,27-29,31,37H,5,8,13-14,16,18H2,1-3H3,(H2,36,43)(H,38,45)(H,39,44)/t22-,27+,28+,29-,31+/m1/s1
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Similars
Article
PubMed
n/an/an/a 7.80E+3n/an/an/an/an/a



Institut d'Investigacions Biomèdiques August Pi i

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23390 from dopamine D1 receptor in lamb striatum membrane after 1 hr

J Med Chem 50: 3062-9 (2007)


Article DOI: 10.1021/jm060947x
BindingDB Entry DOI: 10.7270/Q2BP02GQ
More data for this
Ligand-Target Pair