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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 = 435388   

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))	BDBM435388 (US10584135, Example 219) 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,-7.58,;4.29,-6.05,;3.17,-5.01,;1.68,-5.4,;.59,-4.31,;-.9,-4.71,;-1.99,-3.62,;-3.47,-4.02,;-4.38,-2.78,;-5.84,-3.25,;-7.31,-2.78,;-8.21,-4.02,;-7.31,-5.27,;-5.84,-4.79,;-4.38,-5.27,;-7.79,-6.73,;-9.29,-7.05,;-9.77,-8.52,;-8.75,-9.72,;-7.23,-9.34,;-6.75,-7.88,;-9.23,-11.18,;-9.71,-12.64,;-10.69,-10.7,;-7.76,-11.66,;3.82,-3.61,;5.34,-3.8,;5.64,-5.31,;7.04,-5.96,;7.04,-7.5,;8.37,-8.27,;9.7,-7.5,;11.04,-8.27,;9.7,-5.96,;8.37,-5.19,)| 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	2.14	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))	BDBM435388 (US10584135, Example 219) 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,-7.58,;4.29,-6.05,;3.17,-5.01,;1.68,-5.4,;.59,-4.31,;-.9,-4.71,;-1.99,-3.62,;-3.47,-4.02,;-4.38,-2.78,;-5.84,-3.25,;-7.31,-2.78,;-8.21,-4.02,;-7.31,-5.27,;-5.84,-4.79,;-4.38,-5.27,;-7.79,-6.73,;-9.29,-7.05,;-9.77,-8.52,;-8.75,-9.72,;-7.23,-9.34,;-6.75,-7.88,;-9.23,-11.18,;-9.71,-12.64,;-10.69,-10.7,;-7.76,-11.66,;3.82,-3.61,;5.34,-3.8,;5.64,-5.31,;7.04,-5.96,;7.04,-7.5,;8.37,-8.27,;9.7,-7.5,;11.04,-8.27,;9.7,-5.96,;8.37,-5.19,)| 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	676	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