null

SMILES: Cn1c(SCCCN2C[C@H]3CCN([C@H]3C2)c2ccc(cc2)C(F)(F)F)nnc1C1CCC(O)CC1

InChI Key: InChIKey=YHKSIIGCRXQDQA-CCMYNQISSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 435389   

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))	BDBM435389 (US10584135, Example 221) Show SMILES Cn1c(SCCCN2C[C@H]3CCN([C@H]3C2)c2ccc(cc2)C(F)(F)F)nnc1C1CCC(O)CC1 |r,w:27.31,31.35,wD:13.12,9.9,(4.11,-.25,;4.29,1.28,;3.17,2.33,;1.68,1.93,;.59,3.02,;-.9,2.62,;-1.99,3.71,;-3.47,3.31,;-4.38,4.55,;-5.84,4.08,;-7.31,4.55,;-8.21,3.31,;-7.31,2.06,;-5.84,2.54,;-4.38,2.06,;-7.79,.6,;-9.29,.28,;-9.77,-1.19,;-8.75,-2.38,;-7.23,-2.01,;-6.75,-.55,;-9.23,-3.85,;-9.71,-5.31,;-10.69,-3.37,;-7.77,-4.32,;3.82,3.72,;5.34,3.54,;5.64,2.03,;7.04,1.38,;7.04,-.16,;8.37,-.93,;9.7,-.16,;11.04,-.93,;9.7,1.38,;8.37,2.15,)| Show InChI InChI=1S/C25H34F3N5OS/c1-31-23(17-3-9-21(34)10-4-17)29-30-24(31)35-14-2-12-32-15-18-11-13-33(22(18)16-32)20-7-5-19(6-8-20)25(26,27)28/h5-8,17-18,21-22,34H,2-4,9-16H2,1H3/t17?,18-,21?,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INDIVIOR UK LIMITED US Patent					Assay Description [3H]-Spiperone Binding Assay at hD3 and hD4 recombinant receptors CHO cells transiently transfected with human dopamine type 3 or 4 receptors (CHO-hD...				US Patent US10584135 (2020) BindingDB Entry DOI: 10.7270/Q29S1TFG
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM435389 (US10584135, Example 221) Show SMILES Cn1c(SCCCN2C[C@H]3CCN([C@H]3C2)c2ccc(cc2)C(F)(F)F)nnc1C1CCC(O)CC1 |r,w:27.31,31.35,wD:13.12,9.9,(4.11,-.25,;4.29,1.28,;3.17,2.33,;1.68,1.93,;.59,3.02,;-.9,2.62,;-1.99,3.71,;-3.47,3.31,;-4.38,4.55,;-5.84,4.08,;-7.31,4.55,;-8.21,3.31,;-7.31,2.06,;-5.84,2.54,;-4.38,2.06,;-7.79,.6,;-9.29,.28,;-9.77,-1.19,;-8.75,-2.38,;-7.23,-2.01,;-6.75,-.55,;-9.23,-3.85,;-9.71,-5.31,;-10.69,-3.37,;-7.77,-4.32,;3.82,3.72,;5.34,3.54,;5.64,2.03,;7.04,1.38,;7.04,-.16,;8.37,-.93,;9.7,-.16,;11.04,-.93,;9.7,1.38,;8.37,2.15,)| Show InChI InChI=1S/C25H34F3N5OS/c1-31-23(17-3-9-21(34)10-4-17)29-30-24(31)35-14-2-12-32-15-18-11-13-33(22(18)16-32)20-7-5-19(6-8-20)25(26,27)28/h5-8,17-18,21-22,34H,2-4,9-16H2,1H3/t17?,18-,21?,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	692	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INDIVIOR UK LIMITED US Patent					Assay Description CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to Gα16 protein (CHO-Gα16-hD2L) were seeded into b...				US Patent US10584135 (2020) BindingDB Entry DOI: 10.7270/Q29S1TFG
					More data for this Ligand-Target Pair