Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'D(2) dopamine receptor' and Ligand = 'BDBM50167936'   

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(2) dopamine receptor (Homo sapiens (Human))	BDBM50167936 ((2E)-3-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1...) Show SMILES c1cc(OC)c(N2CCN(CC2)CCCCNC(\C=C(/C)C23C4=C5C6=C2[Fe]34562345C6C2=C3C4=C56)=O)cc1 |c:23,25,35,39,(17.57,4.15,;17.57,2.6,;16.23,1.82,;16.23,.3,;17.57,-.48,;14.9,2.6,;13.56,1.82,;13.57,.3,;12.21,-.48,;10.88,.3,;10.9,1.85,;12.23,2.61,;9.55,-.45,;8.21,.32,;6.87,-.45,;5.54,.33,;4.19,-.43,;2.86,.34,;1.53,-.43,;.19,.34,;.19,1.89,;-1.14,-.43,;-1.14,-1.57,;-2.22,-1.93,;-2.89,-1.01,;-2.22,-.09,;-3.45,-1.88,;-5.63,-3.73,;-4.55,-4.08,;-3.9,-3.16,;-4.56,-2.24,;-5.63,-2.6,;2.86,1.89,;14.9,4.14,;16.23,4.93,)| Show InChI InChI=1S/C24H28N3O2.C5H.Fe/c1-20(21-9-3-4-10-21)19-24(28)25-13-7-8-14-26-15-17-27(18-16-26)22-11-5-6-12-23(22)29-2;1-2-4-5-3-1;/h5-6,11-12,19H,7-8,13-18H2,1-2H3,(H,25,28);1H;/b20-19+;;	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	120	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 D2 short 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(2) dopamine receptor (Homo sapiens (Human))	BDBM50167936 ((2E)-3-{1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1...) Show SMILES c1cc(OC)c(N2CCN(CC2)CCCCNC(\C=C(/C)C23C4=C5C6=C2[Fe]34562345C6C2=C3C4=C56)=O)cc1 |c:23,25,35,39,(17.57,4.15,;17.57,2.6,;16.23,1.82,;16.23,.3,;17.57,-.48,;14.9,2.6,;13.56,1.82,;13.57,.3,;12.21,-.48,;10.88,.3,;10.9,1.85,;12.23,2.61,;9.55,-.45,;8.21,.32,;6.87,-.45,;5.54,.33,;4.19,-.43,;2.86,.34,;1.53,-.43,;.19,.34,;.19,1.89,;-1.14,-.43,;-1.14,-1.57,;-2.22,-1.93,;-2.89,-1.01,;-2.22,-.09,;-3.45,-1.88,;-5.63,-3.73,;-4.55,-4.08,;-3.9,-3.16,;-4.56,-2.24,;-5.63,-2.6,;2.86,1.89,;14.9,4.14,;16.23,4.93,)| Show InChI InChI=1S/C24H28N3O2.C5H.Fe/c1-20(21-9-3-4-10-21)19-24(28)25-13-7-8-14-26-15-17-27(18-16-26)22-11-5-6-12-23(22)29-2;1-2-4-5-3-1;/h5-6,11-12,19H,7-8,13-18H2,1-2H3,(H,25,28);1H;/b20-19+;;	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	170	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 D2 long 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