BDBM50219950 3-cyano-N-((1r,4r)-4-(2-(4-(3-cyano-5-(trifluoromethyl)phenyl)piperazin-1-yl)ethyl)cyclohexyl)benzenesulfonamide::CHEMBL392527

SMILES: FC(F)(F)c1cc(cc(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NS(=O)(=O)c2cccc(c2)C#N)CC1)C#N

InChI Key: InChIKey=SHWRVFAKOGFBCZ-LSNLESRRSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50219950   

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 (Rattus norvegicus (Rat))	BDBM50219950 (3-cyano-N-((1r,4r)-4-(2-(4-(3-cyano-5-(trifluorome...) Show SMILES FC(F)(F)c1cc(cc(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NS(=O)(=O)c2cccc(c2)C#N)CC1)C#N |wU:19.23,wD:16.16,(20.94,-42.03,;19.62,-41.26,;18.85,-42.59,;20.4,-39.93,;18.29,-40.49,;18.29,-38.95,;16.96,-38.17,;15.63,-38.94,;15.63,-40.47,;16.95,-41.25,;14.29,-41.24,;14.29,-42.78,;12.96,-43.54,;11.62,-42.76,;10.29,-43.53,;8.95,-42.76,;7.63,-43.53,;6.29,-42.77,;4.95,-43.53,;4.95,-45.08,;6.29,-45.85,;7.63,-45.08,;3.61,-45.88,;2.26,-45.11,;1.5,-46.46,;3.01,-43.77,;.91,-44.34,;-.41,-45.11,;-1.74,-44.34,;-1.75,-42.8,;-.41,-42.03,;.92,-42.8,;-.41,-40.49,;-.41,-38.94,;11.62,-41.23,;12.97,-40.46,;16.95,-36.63,;16.95,-35.1,)| Show InChI InChI=1S/C27H30F3N5O2S/c28-27(29,30)23-14-22(19-32)15-25(17-23)35-12-10-34(11-13-35)9-8-20-4-6-24(7-5-20)33-38(36,37)26-3-1-2-21(16-26)18-31/h1-3,14-17,20,24,33H,4-13H2/t20-,24-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Ltd Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from rat dopamine D3 receptor expressed in Sf9 cells				Bioorg Med Chem Lett 17: 5340-4 (2007) Article DOI: 10.1016/j.bmcl.2007.08.015 BindingDB Entry DOI: 10.7270/Q22F7N5G
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50219950 (3-cyano-N-((1r,4r)-4-(2-(4-(3-cyano-5-(trifluorome...) Show SMILES FC(F)(F)c1cc(cc(c1)N1CCN(CC[C@H]2CC[C@@H](CC2)NS(=O)(=O)c2cccc(c2)C#N)CC1)C#N |wU:19.23,wD:16.16,(20.94,-42.03,;19.62,-41.26,;18.85,-42.59,;20.4,-39.93,;18.29,-40.49,;18.29,-38.95,;16.96,-38.17,;15.63,-38.94,;15.63,-40.47,;16.95,-41.25,;14.29,-41.24,;14.29,-42.78,;12.96,-43.54,;11.62,-42.76,;10.29,-43.53,;8.95,-42.76,;7.63,-43.53,;6.29,-42.77,;4.95,-43.53,;4.95,-45.08,;6.29,-45.85,;7.63,-45.08,;3.61,-45.88,;2.26,-45.11,;1.5,-46.46,;3.01,-43.77,;.91,-44.34,;-.41,-45.11,;-1.74,-44.34,;-1.75,-42.8,;-.41,-42.03,;.92,-42.8,;-.41,-40.49,;-.41,-38.94,;11.62,-41.23,;12.97,-40.46,;16.95,-36.63,;16.95,-35.1,)| Show InChI InChI=1S/C27H30F3N5O2S/c28-27(29,30)23-14-22(19-32)15-25(17-23)35-12-10-34(11-13-35)9-8-20-4-6-24(7-5-20)33-38(36,37)26-3-1-2-21(16-26)18-31/h1-3,14-17,20,24,33H,4-13H2/t20-,24-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Ltd Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat striatal membranes				Bioorg Med Chem Lett 17: 5340-4 (2007) Article DOI: 10.1016/j.bmcl.2007.08.015 BindingDB Entry DOI: 10.7270/Q22F7N5G
					More data for this Ligand-Target Pair