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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50192445'   
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


(Rattus norvegicus (Rat))		BDBM50192445
PNG
(CHEMBL3959240 | US10239870, Example 285)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)S(N)(=O)=O |r|
Show InChI InChI=1S/C25H28F3N5O2S2/c1-32-22(18-5-9-20(10-6-18)37(29,34)35)30-31-23(32)36-14-2-12-33-13-11-24(16-33)15-21(24)17-3-7-19(8-4-17)25(26,27)28/h3-10,21H,2,11-16H2,1H3,(H2,29,34,35)/t21-,24+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
US Patent
 0.316n/an/an/an/an/an/an/an/a



Georgia Institute of Technology



Assay Description
[125I]-7OH-PIPAT Binding Assay at rat native D3 receptor on membranes from rat ventral striatum. Homogenates from frozen rat brain ventral striatum (...

J Med Chem 51: 2816-32 (2008)


BindingDB Entry DOI: 10.7270/Q2HT2RNX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50192445
PNG
(CHEMBL3959240 | US10239870, Example 285)
Show SMILES Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)S(N)(=O)=O |r|
Show InChI InChI=1S/C25H28F3N5O2S2/c1-32-22(18-5-9-20(10-6-18)37(29,34)35)30-31-23(32)36-14-2-12-33-13-11-24(16-33)15-21(24)17-3-7-19(8-4-17)25(26,27)28/h3-10,21H,2,11-16H2,1H3,(H2,29,34,35)/t21-,24+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.316n/an/an/an/an/an/an/an/a



Aptuit s.r.l.

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting

J Med Chem 59: 8549-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00972
BindingDB Entry DOI: 10.7270/Q2SQ9298
More data for this
Ligand-Target Pair