null

SMILES: O=C(N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1)c1cccc2ncccc12

InChI Key: InChIKey=REDQYSRGGWSYHE-OKDASEJXSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50218405   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50218405 (CHEMBL86127) Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1)c1cccc2ncccc12 |wU:3.2,wD:6.6,(24.18,-14.53,;24.01,-13.01,;22.61,-12.38,;21.36,-13.29,;21.52,-14.81,;20.26,-15.72,;18.86,-15.09,;17.6,-16,;16.21,-15.37,;14.95,-16.28,;13.55,-15.65,;12.17,-16.37,;11.87,-17.88,;10.38,-18.16,;9.87,-19.61,;10.86,-20.77,;12.38,-20.49,;12.87,-19.05,;14.41,-19,;15.34,-17.77,;10.33,-22.24,;9.8,-23.69,;18.7,-13.56,;19.95,-12.66,;25.27,-12.1,;26.67,-12.73,;27.91,-11.82,;27.74,-10.29,;26.35,-9.66,;26.18,-8.13,;24.78,-7.5,;23.52,-8.4,;23.69,-9.94,;25.1,-10.57,)| Show InChI InChI=1S/C29H32N4O/c30-20-22-6-9-23-13-17-33(18-14-24(23)19-22)16-12-21-7-10-25(11-8-21)32-29(34)27-3-1-5-28-26(27)4-2-15-31-28/h1-6,9,15,19,21,25H,7-8,10-14,16-18H2,(H,32,34)/t21-,25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D3 by displacement of [125I]iodosulpiride expressed in CHO cells				Bioorg Med Chem Lett 10: 2553-5 (2000) BindingDB Entry DOI: 10.7270/Q24Q7X55
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50218405 (CHEMBL86127) Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1)c1cccc2ncccc12 |wU:3.2,wD:6.6,(24.18,-14.53,;24.01,-13.01,;22.61,-12.38,;21.36,-13.29,;21.52,-14.81,;20.26,-15.72,;18.86,-15.09,;17.6,-16,;16.21,-15.37,;14.95,-16.28,;13.55,-15.65,;12.17,-16.37,;11.87,-17.88,;10.38,-18.16,;9.87,-19.61,;10.86,-20.77,;12.38,-20.49,;12.87,-19.05,;14.41,-19,;15.34,-17.77,;10.33,-22.24,;9.8,-23.69,;18.7,-13.56,;19.95,-12.66,;25.27,-12.1,;26.67,-12.73,;27.91,-11.82,;27.74,-10.29,;26.35,-9.66,;26.18,-8.13,;24.78,-7.5,;23.52,-8.4,;23.69,-9.94,;25.1,-10.57,)| Show InChI InChI=1S/C29H32N4O/c30-20-22-6-9-23-13-17-33(18-14-24(23)19-22)16-12-21-7-10-25(11-8-21)32-29(34)27-3-1-5-28-26(27)4-2-15-31-28/h1-6,9,15,19,21,25H,7-8,10-14,16-18H2,(H,32,34)/t21-,25-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity towards human Dopamine receptor D2 by displacement of [125I]iodosulpiride expressed in CHO cells				Bioorg Med Chem Lett 10: 2553-5 (2000) BindingDB Entry DOI: 10.7270/Q24Q7X55
					More data for this Ligand-Target Pair