null

SMILES: CC(=O)Nc1cccc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(cc4CC3)C#N)CC2)c1

InChI Key: InChIKey=OFRYPJSVIVBOHV-WSABRRFESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50218410   

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))	BDBM50218410 (CHEMBL313255) Show SMILES CC(=O)Nc1cccc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(cc4CC3)C#N)CC2)c1 |wU:14.13,wD:17.17,(30.46,-21.82,;29.69,-20.49,;30.46,-19.16,;28.15,-20.51,;27.37,-19.16,;28.14,-17.83,;27.37,-16.5,;25.81,-16.5,;25.04,-17.83,;23.5,-17.83,;22.73,-16.5,;21.19,-16.5,;20.42,-17.83,;20.42,-15.17,;18.88,-15.17,;18.11,-16.5,;16.55,-16.5,;15.78,-15.17,;14.24,-15.15,;13.49,-13.82,;11.95,-13.8,;11.28,-12.41,;9.78,-12.07,;8.59,-13.03,;7.26,-12.26,;5.91,-13.03,;5.91,-14.57,;7.26,-15.34,;8.59,-14.57,;9.78,-15.52,;11.28,-15.17,;4.56,-15.34,;3.23,-16.11,;16.55,-13.84,;18.11,-13.84,;25.81,-19.16,)| Show InChI InChI=1S/C30H36N4O2/c1-22(35)32-29-4-2-3-24(20-29)8-12-30(36)33-28-10-6-23(7-11-28)13-16-34-17-14-26-9-5-25(21-31)19-27(26)15-18-34/h2-5,8-9,12,19-20,23,28H,6-7,10-11,13-18H2,1H3,(H,32,35)(H,33,36)/b12-8+/t23-,28-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	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))	BDBM50218410 (CHEMBL313255) Show SMILES CC(=O)Nc1cccc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(cc4CC3)C#N)CC2)c1 |wU:14.13,wD:17.17,(30.46,-21.82,;29.69,-20.49,;30.46,-19.16,;28.15,-20.51,;27.37,-19.16,;28.14,-17.83,;27.37,-16.5,;25.81,-16.5,;25.04,-17.83,;23.5,-17.83,;22.73,-16.5,;21.19,-16.5,;20.42,-17.83,;20.42,-15.17,;18.88,-15.17,;18.11,-16.5,;16.55,-16.5,;15.78,-15.17,;14.24,-15.15,;13.49,-13.82,;11.95,-13.8,;11.28,-12.41,;9.78,-12.07,;8.59,-13.03,;7.26,-12.26,;5.91,-13.03,;5.91,-14.57,;7.26,-15.34,;8.59,-14.57,;9.78,-15.52,;11.28,-15.17,;4.56,-15.34,;3.23,-16.11,;16.55,-13.84,;18.11,-13.84,;25.81,-19.16,)| Show InChI InChI=1S/C30H36N4O2/c1-22(35)32-29-4-2-3-24(20-29)8-12-30(36)33-28-10-6-23(7-11-28)13-16-34-17-14-26-9-5-25(21-31)19-27(26)15-18-34/h2-5,8-9,12,19-20,23,28H,6-7,10-11,13-18H2,1H3,(H,32,35)(H,33,36)/b12-8+/t23-,28-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	501	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