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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50290209'   
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(3) dopamine receptor


(Homo sapiens (Human))		BDBM50290209
PNG
(CHEMBL310577 | Thiophene-2-carboxylic acid (4-{2-[...)
Show SMILES COc1cccc(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2cccs2)CC1 |wU:14.14,wD:17.21,(17.13,-1.01,;17.93,-2.33,;17.18,-3.67,;18,-4.99,;17.25,-6.35,;15.71,-6.38,;14.92,-5.05,;15.66,-3.71,;13.38,-5.09,;12.65,-6.42,;11.11,-6.45,;10.3,-5.14,;8.76,-5.18,;8,-6.52,;6.46,-6.52,;5.68,-7.85,;4.14,-7.86,;3.38,-6.53,;4.14,-5.2,;5.68,-5.19,;1.84,-6.54,;1.07,-7.87,;-.47,-7.87,;1.84,-9.2,;3.37,-9.29,;3.23,-11.93,;1.69,-11.85,;.99,-10.48,;11.04,-3.8,;12.58,-3.76,)|
Show InChI InChI=1S/C24H33N3O2S/c1-29-22-5-2-4-21(18-22)27-15-13-26(14-16-27)12-11-19-7-9-20(10-8-19)25-24(28)23-6-3-17-30-23/h2-6,17-20H,7-16H2,1H3,(H,25,28)/t19-,20-
PDB

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PC cid
PC sid
UniChem

Similars
Article
 1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to displace radioligand [3H]spiperone from human dopamine D3 receptor transfected chinese hamster ovary cell membranes.

Bioorg Med Chem Lett 7: 2403-2408 (1997)


Article DOI: 10.1016/S0960-894X(97)00443-5
BindingDB Entry DOI: 10.7270/Q27W6CQ0
More data for this
Ligand-Target Pair