Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(3) dopamine receptor' and Ligand = 'BDBM50167935'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50167935 (CHEMBL195083 | N-{4-[4-(3-chloro-2-methoxyphenyl)p...) Show SMILES c1(Cl)c(c(N2CCN(CC2)CCCCNC(C23[Fe]456789%10%11C%12C4=C5C6=C7%12)=O)ccc1)OC.C8(C9=C2%10)=C3%11 |c:21,25,t:38,41,(18.57,1.49,;19.91,.72,;17.23,.72,;15.9,1.49,;14.55,.72,;13.22,1.5,;11.89,.74,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;3.86,.77,;15.9,3.03,;17.23,3.8,;18.57,3.03,;17.23,-.83,;18.57,-1.6,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;2.53,-2.67,)| Show InChI InChI=1S/C21H23ClN3O2.C5H.Fe/c1-27-20-18(22)9-6-10-19(20)25-15-13-24(14-16-25)12-5-4-11-23-21(26)17-7-2-3-8-17;1-2-4-5-3-1;/h6,9-10H,4-5,11-16H2,1H3,(H,23,26);1H;	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Inhibition of [3H]spiperone binding to human dopamine receptor D3 expressed in Chinese hamster ovary cells				J Med Chem 48: 3696-9 (2005) Article DOI: 10.1021/jm050170s BindingDB Entry DOI: 10.7270/Q20K29BF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50167935 (CHEMBL195083 | N-{4-[4-(3-chloro-2-methoxyphenyl)p...) Show SMILES c1(Cl)c(c(N2CCN(CC2)CCCCNC(C23[Fe]456789%10%11C%12C4=C5C6=C7%12)=O)ccc1)OC.C8(C9=C2%10)=C3%11 |c:21,25,t:38,41,(18.57,1.49,;19.91,.72,;17.23,.72,;15.9,1.49,;14.55,.72,;13.22,1.5,;11.89,.74,;11.89,-.8,;13.22,-1.59,;14.57,-.83,;10.55,-1.57,;9.21,-.8,;7.86,-1.57,;6.53,-.78,;5.2,-1.55,;3.87,-.77,;2.53,-1.55,;.22,-2.99,;-1.96,-4.82,;-.88,-5.18,;-.23,-4.26,;-.89,-3.35,;-1.96,-3.7,;3.86,.77,;15.9,3.03,;17.23,3.8,;18.57,3.03,;17.23,-.83,;18.57,-1.6,;1.45,-3.02,;.78,-2.11,;1.45,-1.2,;2.53,-2.67,)| Show InChI InChI=1S/C21H23ClN3O2.C5H.Fe/c1-27-20-18(22)9-6-10-19(20)25-15-13-24(14-16-25)12-5-4-11-23-21(26)17-7-2-3-8-17;1-2-4-5-3-1;/h6,9-10H,4-5,11-16H2,1H3,(H,23,26);1H;	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.80	n/a	n/a	n/a	n/a
Friedrich Alexander University Curated by ChEMBL					Assay Description Effective concentration in [3H]thymidine uptake assay by CHO dhfr- mutant cells expressing human D3 receptor				J Med Chem 48: 3696-9 (2005) Article DOI: 10.1021/jm050170s BindingDB Entry DOI: 10.7270/Q20K29BF
					More data for this Ligand-Target Pair