BDBM476851 US10870660, Compound III-685

SMILES: Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3sc(CCC(F)F)nc3C2)CC1

InChI Key: InChIKey=OAUBLUIXSXPHTA-IYARVYRRSA-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 = 476851   

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))	BDBM476851 (US10870660, Compound III-685) Show SMILES Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3sc(CCC(F)F)nc3C2)CC1 |r,wU:16.18,wD:13.14,(12.12,-2.23,;11.35,-.9,;9.82,-.74,;9.5,.77,;8.17,1.54,;8.17,3.08,;9.5,3.85,;10.84,3.08,;10.84,1.54,;11.98,.51,;6.84,.77,;6.84,-.77,;5.5,1.54,;4.17,.77,;2.85,1.54,;1.52,.77,;1.52,-.77,;.18,-1.54,;-1.15,-.77,;-2.48,-1.54,;-2.47,-3.08,;-3.8,-3.85,;-5.13,-3.08,;-6.6,-3.56,;-7.5,-2.31,;-9.04,-2.31,;-9.81,-.98,;-11.35,-.98,;-12.12,.36,;-12.12,-2.31,;-6.6,-1.06,;-5.13,-1.54,;-3.8,-.77,;2.85,-1.54,;4.18,-.77,)| Show InChI InChI=1S/C26H33F2N5OS/c1-32-15-20-19(3-2-4-21(20)31-32)26(34)29-18-7-5-17(6-8-18)11-13-33-14-12-23-22(16-33)30-25(35-23)10-9-24(27)28/h2-4,15,17-18,24H,5-14,16H2,1H3,(H,29,34)/t17-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	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))	BDBM476851 (US10870660, Compound III-685) Show SMILES Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3sc(CCC(F)F)nc3C2)CC1 |r,wU:16.18,wD:13.14,(12.12,-2.23,;11.35,-.9,;9.82,-.74,;9.5,.77,;8.17,1.54,;8.17,3.08,;9.5,3.85,;10.84,3.08,;10.84,1.54,;11.98,.51,;6.84,.77,;6.84,-.77,;5.5,1.54,;4.17,.77,;2.85,1.54,;1.52,.77,;1.52,-.77,;.18,-1.54,;-1.15,-.77,;-2.48,-1.54,;-2.47,-3.08,;-3.8,-3.85,;-5.13,-3.08,;-6.6,-3.56,;-7.5,-2.31,;-9.04,-2.31,;-9.81,-.98,;-11.35,-.98,;-12.12,.36,;-12.12,-2.31,;-6.6,-1.06,;-5.13,-1.54,;-3.8,-.77,;2.85,-1.54,;4.18,-.77,)| Show InChI InChI=1S/C26H33F2N5OS/c1-32-15-20-19(3-2-4-21(20)31-32)26(34)29-18-7-5-17(6-8-18)11-13-33-14-12-23-22(16-33)30-25(35-23)10-9-24(27)28/h2-4,15,17-18,24H,5-14,16H2,1H3,(H,29,34)/t17-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	280	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