null

SMILES: Fc1cccc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(cc4CC3)C#N)CC2)c1

InChI Key: InChIKey=LRAKDNHVXFFUJJ-KVSPAWLASA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50218404   

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))	BDBM50218404 (CHEMBL420789) Show SMILES Fc1cccc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(cc4CC3)C#N)CC2)c1 |wU:11.10,wD:14.14,(29.48,-20.51,;28.68,-19.16,;29.45,-17.83,;28.68,-16.5,;27.14,-16.5,;26.37,-17.83,;24.83,-17.83,;24.06,-16.5,;22.5,-16.5,;21.73,-17.83,;21.73,-15.17,;20.19,-15.17,;19.42,-16.5,;17.88,-16.5,;17.11,-15.17,;15.57,-15.15,;14.8,-13.82,;13.26,-13.8,;12.6,-12.41,;11.11,-12.07,;9.9,-13.03,;8.57,-12.26,;7.24,-13.03,;7.24,-14.57,;8.57,-15.34,;9.9,-14.57,;11.11,-15.52,;12.6,-15.17,;5.89,-15.34,;4.55,-16.11,;17.88,-13.84,;19.42,-13.84,;27.14,-19.16,)| Show InChI InChI=1S/C28H32FN3O/c29-26-3-1-2-22(19-26)7-11-28(33)31-27-9-5-21(6-10-27)12-15-32-16-13-24-8-4-23(20-30)18-25(24)14-17-32/h1-4,7-8,11,18-19,21,27H,5-6,9-10,12-17H2,(H,31,33)/b11-7+/t21-,27-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	6.30	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))	BDBM50218404 (CHEMBL420789) Show SMILES Fc1cccc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(cc4CC3)C#N)CC2)c1 |wU:11.10,wD:14.14,(29.48,-20.51,;28.68,-19.16,;29.45,-17.83,;28.68,-16.5,;27.14,-16.5,;26.37,-17.83,;24.83,-17.83,;24.06,-16.5,;22.5,-16.5,;21.73,-17.83,;21.73,-15.17,;20.19,-15.17,;19.42,-16.5,;17.88,-16.5,;17.11,-15.17,;15.57,-15.15,;14.8,-13.82,;13.26,-13.8,;12.6,-12.41,;11.11,-12.07,;9.9,-13.03,;8.57,-12.26,;7.24,-13.03,;7.24,-14.57,;8.57,-15.34,;9.9,-14.57,;11.11,-15.52,;12.6,-15.17,;5.89,-15.34,;4.55,-16.11,;17.88,-13.84,;19.42,-13.84,;27.14,-19.16,)| Show InChI InChI=1S/C28H32FN3O/c29-26-3-1-2-22(19-26)7-11-28(33)31-27-9-5-21(6-10-27)12-15-32-16-13-24-8-4-23(20-30)18-25(24)14-17-32/h1-4,7-8,11,18-19,21,27H,5-6,9-10,12-17H2,(H,31,33)/b11-7+/t21-,27-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	398	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