BDBM382334 US10273244, Example 219

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

InChI Key: InChIKey=YHKSIIGCRXQDQA-IVFBNWJGSA-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 = 382334   

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))	BDBM382334 (US10273244, 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,wU:9.8,13.12,(3.57,7.24,;3.97,8.73,;3.07,9.97,;1.58,9.57,;.49,10.66,;-1,10.26,;-2.09,11.35,;-3.57,10.95,;-4.48,12.2,;-5.94,11.72,;-7.41,12.2,;-8.31,10.95,;-7.41,9.71,;-5.94,10.18,;-4.48,9.71,;-7.81,8.22,;-9.29,7.82,;-9.69,6.34,;-8.62,5.19,;-7.12,5.64,;-6.72,7.13,;-9.02,3.71,;-9.41,2.22,;-10.5,4.1,;-7.53,3.31,;3.97,11.22,;5.44,10.74,;5.44,9.2,;6.77,8.43,;6.77,6.89,;8.1,6.12,;9.44,6.89,;10.77,6.12,;9.44,8.43,;8.1,9.2,)| 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+/m0/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
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))	BDBM382334 (US10273244, 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,wU:9.8,13.12,(3.57,7.24,;3.97,8.73,;3.07,9.97,;1.58,9.57,;.49,10.66,;-1,10.26,;-2.09,11.35,;-3.57,10.95,;-4.48,12.2,;-5.94,11.72,;-7.41,12.2,;-8.31,10.95,;-7.41,9.71,;-5.94,10.18,;-4.48,9.71,;-7.81,8.22,;-9.29,7.82,;-9.69,6.34,;-8.62,5.19,;-7.12,5.64,;-6.72,7.13,;-9.02,3.71,;-9.41,2.22,;-10.5,4.1,;-7.53,3.31,;3.97,11.22,;5.44,10.74,;5.44,9.2,;6.77,8.43,;6.77,6.89,;8.1,6.12,;9.44,6.89,;10.77,6.12,;9.44,8.43,;8.1,9.2,)| 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+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
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