null

SMILES: O=C(N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1)c1ccc2ccccc2c1

InChI Key: InChIKey=AOMCGXSEEARDEI-FXBOJIBUSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50218402   

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))	BDBM50218402 (CHEMBL86402) Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1)c1ccc2ccccc2c1 |wU:3.2,wD:6.6,(21.53,-12.47,;22.3,-11.13,;21.53,-9.81,;19.99,-9.81,;19.22,-11.14,;17.68,-11.14,;16.91,-9.81,;15.37,-9.81,;14.6,-11.13,;13.05,-11.13,;12.28,-9.81,;10.76,-9.58,;9.64,-10.63,;8.25,-9.95,;6.99,-10.83,;7.1,-12.35,;8.49,-13.01,;9.76,-12.14,;11.03,-13.02,;12.49,-12.56,;5.81,-13.22,;4.52,-14.08,;17.68,-8.48,;19.22,-8.48,;23.84,-11.13,;24.61,-12.47,;26.16,-12.47,;26.93,-11.13,;28.47,-11.13,;29.24,-9.81,;28.47,-8.46,;26.93,-8.46,;26.16,-9.81,;24.61,-9.81,)| Show InChI InChI=1S/C30H33N3O/c31-21-23-5-8-25-14-17-33(18-15-27(25)19-23)16-13-22-6-11-29(12-7-22)32-30(34)28-10-9-24-3-1-2-4-26(24)20-28/h1-5,8-10,19-20,22,29H,6-7,11-18H2,(H,32,34)/t22-,29-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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))	BDBM50218402 (CHEMBL86402) Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1)c1ccc2ccccc2c1 |wU:3.2,wD:6.6,(21.53,-12.47,;22.3,-11.13,;21.53,-9.81,;19.99,-9.81,;19.22,-11.14,;17.68,-11.14,;16.91,-9.81,;15.37,-9.81,;14.6,-11.13,;13.05,-11.13,;12.28,-9.81,;10.76,-9.58,;9.64,-10.63,;8.25,-9.95,;6.99,-10.83,;7.1,-12.35,;8.49,-13.01,;9.76,-12.14,;11.03,-13.02,;12.49,-12.56,;5.81,-13.22,;4.52,-14.08,;17.68,-8.48,;19.22,-8.48,;23.84,-11.13,;24.61,-12.47,;26.16,-12.47,;26.93,-11.13,;28.47,-11.13,;29.24,-9.81,;28.47,-8.46,;26.93,-8.46,;26.16,-9.81,;24.61,-9.81,)| Show InChI InChI=1S/C30H33N3O/c31-21-23-5-8-25-14-17-33(18-15-27(25)19-23)16-13-22-6-11-29(12-7-22)32-30(34)28-10-9-24-3-1-2-4-26(24)20-28/h1-5,8-10,19-20,22,29H,6-7,11-18H2,(H,32,34)/t22-,29-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.16E+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