BDBM382333 US10273244, Example 218

SMILES: Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1C1CCC(O)CC1

InChI Key: InChIKey=YHKSIIGCRXQDQA-UHFFFAOYSA-N

Data: 2 KI

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 = 382333   

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))	BDBM382333 (US10273244, Example 218) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1C1CCC(O)CC1 |w:27.31,31.35,(3.57,.14,;3.97,1.63,;3.07,2.88,;1.58,2.48,;.49,3.57,;-1,3.17,;-2.09,4.26,;-3.57,3.86,;-4.48,5.11,;-5.94,4.63,;-7.41,5.11,;-8.31,3.86,;-7.41,2.61,;-5.94,3.09,;-4.48,2.61,;-7.81,1.13,;-9.29,.73,;-9.69,-.76,;-8.64,-1.99,;-7.12,-1.45,;-6.72,.04,;-9.04,-3.47,;-9.44,-4.96,;-10.53,-3.08,;-7.55,-3.87,;3.97,4.12,;5.44,3.65,;5.44,2.11,;6.77,1.34,;6.77,-.2,;8.1,-.97,;9.44,-.2,;10.77,-.97,;9.44,1.34,;8.1,2.11,)| 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck					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-hD3...				Bioorg Med Chem Lett 18: 3456-61 (2008) BindingDB Entry DOI: 10.7270/Q2RN3B5H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM382333 (US10273244, Example 218) Show SMILES Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1C1CCC(O)CC1 |w:27.31,31.35,(3.57,.14,;3.97,1.63,;3.07,2.88,;1.58,2.48,;.49,3.57,;-1,3.17,;-2.09,4.26,;-3.57,3.86,;-4.48,5.11,;-5.94,4.63,;-7.41,5.11,;-8.31,3.86,;-7.41,2.61,;-5.94,3.09,;-4.48,2.61,;-7.81,1.13,;-9.29,.73,;-9.69,-.76,;-8.64,-1.99,;-7.12,-1.45,;-6.72,.04,;-9.04,-3.47,;-9.44,-4.96,;-10.53,-3.08,;-7.55,-3.87,;3.97,4.12,;5.44,3.65,;5.44,2.11,;6.77,1.34,;6.77,-.2,;8.1,-.97,;9.44,-.2,;10.77,-.97,;9.44,1.34,;8.1,2.11,)| 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	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	575	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck					Assay Description Functional Calcium Assay at hD2 recombinant receptor. CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to G&#...				Bioorg Med Chem Lett 18: 3456-61 (2008) BindingDB Entry DOI: 10.7270/Q2RN3B5H
					More data for this Ligand-Target Pair