null

SMILES: O=C(N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1)c1cccc2ccccc12

InChI Key: InChIKey=WNRHLKXILALELE-MGFGWZDJSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50218407   

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))	BDBM50218407 (CHEMBL85711) Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1)c1cccc2ccccc12 |wU:3.2,wD:6.6,(22.85,-12.59,;23.3,-11.11,;22.24,-9.99,;20.75,-10.36,;20.3,-11.82,;18.81,-12.18,;17.75,-11.04,;16.25,-11.39,;15.2,-10.25,;13.7,-10.6,;12.66,-9.47,;11.13,-9.57,;10.25,-10.83,;8.75,-10.48,;7.7,-11.61,;8.14,-13.08,;9.63,-13.43,;10.69,-12.31,;12.14,-12.88,;13.47,-12.11,;7.12,-14.22,;6.08,-15.37,;18.21,-9.57,;19.7,-9.24,;24.81,-10.76,;25.21,-9.29,;26.71,-8.89,;27.79,-9.97,;27.39,-11.46,;28.48,-12.56,;28.08,-14.03,;26.57,-14.43,;25.49,-13.35,;25.89,-11.86,)| Show InChI InChI=1S/C30H33N3O/c31-21-23-8-11-24-15-18-33(19-16-26(24)20-23)17-14-22-9-12-27(13-10-22)32-30(34)29-7-3-5-25-4-1-2-6-28(25)29/h1-8,11,20,22,27H,9-10,12-19H2,(H,32,34)/t22-,27-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	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))	BDBM50218407 (CHEMBL85711) Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1)c1cccc2ccccc12 |wU:3.2,wD:6.6,(22.85,-12.59,;23.3,-11.11,;22.24,-9.99,;20.75,-10.36,;20.3,-11.82,;18.81,-12.18,;17.75,-11.04,;16.25,-11.39,;15.2,-10.25,;13.7,-10.6,;12.66,-9.47,;11.13,-9.57,;10.25,-10.83,;8.75,-10.48,;7.7,-11.61,;8.14,-13.08,;9.63,-13.43,;10.69,-12.31,;12.14,-12.88,;13.47,-12.11,;7.12,-14.22,;6.08,-15.37,;18.21,-9.57,;19.7,-9.24,;24.81,-10.76,;25.21,-9.29,;26.71,-8.89,;27.79,-9.97,;27.39,-11.46,;28.48,-12.56,;28.08,-14.03,;26.57,-14.43,;25.49,-13.35,;25.89,-11.86,)| Show InChI InChI=1S/C30H33N3O/c31-21-23-8-11-24-15-18-33(19-16-26(24)20-23)17-14-22-9-12-27(13-10-22)32-30(34)29-7-3-5-25-4-1-2-6-28(25)29/h1-8,11,20,22,27H,9-10,12-19H2,(H,32,34)/t22-,27-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.26E+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