BDBM476842 US10870660, Compound III-624

SMILES: Cn1cc2c(cccc2n1)C(=O)NC1CC2(CC(CCN3CCc4sc(OCC(C)(F)F)nc4C3)C2)C1

InChI Key: InChIKey=IJKACRJOPXDGDS-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 = 476842   

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))	BDBM476842 (US10870660, Compound III-624) Show SMILES Cn1cc2c(cccc2n1)C(=O)NC1CC2(CC(CCN3CCc4sc(OCC(C)(F)F)nc4C3)C2)C1 |(12.98,-1.91,;12.21,-.58,;10.67,-.42,;10.35,1.09,;9.02,1.86,;9.02,3.4,;10.35,4.17,;11.69,3.4,;11.69,1.86,;12.83,.83,;7.69,1.09,;7.69,-.45,;6.35,1.86,;5.02,1.09,;4.62,-.4,;3.13,,;2.73,-1.49,;1.25,-1.09,;-.09,-1.86,;-1.42,-1.09,;-2.75,-1.86,;-2.75,-3.4,;-4.09,-4.17,;-5.42,-3.4,;-6.89,-3.87,;-7.79,-2.63,;-9.33,-2.63,;-10.1,-1.3,;-11.64,-1.3,;-12.41,.04,;-11.64,-2.84,;-12.98,-2.07,;-6.89,-1.38,;-5.42,-1.86,;-4.09,-1.09,;1.65,.4,;3.53,1.49,)| Show InChI InChI=1S/C27H33F2N5O2S/c1-26(28,29)16-36-25-31-22-15-34(9-7-23(22)37-25)8-6-17-10-27(11-17)12-18(13-27)30-24(35)19-4-3-5-21-20(19)14-33(2)32-21/h3-5,14,17-18H,6-13,15-16H2,1-2H3,(H,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description 225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent...				US Patent US10870660 (2020)
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM476842 (US10870660, Compound III-624) Show SMILES Cn1cc2c(cccc2n1)C(=O)NC1CC2(CC(CCN3CCc4sc(OCC(C)(F)F)nc4C3)C2)C1 |(12.98,-1.91,;12.21,-.58,;10.67,-.42,;10.35,1.09,;9.02,1.86,;9.02,3.4,;10.35,4.17,;11.69,3.4,;11.69,1.86,;12.83,.83,;7.69,1.09,;7.69,-.45,;6.35,1.86,;5.02,1.09,;4.62,-.4,;3.13,,;2.73,-1.49,;1.25,-1.09,;-.09,-1.86,;-1.42,-1.09,;-2.75,-1.86,;-2.75,-3.4,;-4.09,-4.17,;-5.42,-3.4,;-6.89,-3.87,;-7.79,-2.63,;-9.33,-2.63,;-10.1,-1.3,;-11.64,-1.3,;-12.41,.04,;-11.64,-2.84,;-12.98,-2.07,;-6.89,-1.38,;-5.42,-1.86,;-4.09,-1.09,;1.65,.4,;3.53,1.49,)| Show InChI InChI=1S/C27H33F2N5O2S/c1-26(28,29)16-36-25-31-22-15-34(9-7-23(22)37-25)8-6-17-10-27(11-17)12-18(13-27)30-24(35)19-4-3-5-21-20(19)14-33(2)32-21/h3-5,14,17-18H,6-13,15-16H2,1-2H3,(H,30,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description 225 nL of the solutions of the non-specific ligand or the compounds of the present invention at each concentration (in case of vehicle, final concent...				US Patent US10870660 (2020)
					More data for this Ligand-Target Pair