BDBM476915 US10870660, Compound II-047

SMILES: CN1Cc2c(cccc2C(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)C1=O

InChI Key: InChIKey=VICLMFFSPFEHLO-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 = 476915   

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))	BDBM476915 (US10870660, Compound II-047) Show SMILES CN1Cc2c(cccc2C(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)C1=O |r,wU:15.16,wD:12.12,(11.97,-.99,;11.2,.35,;9.67,.51,;9.35,2.02,;10.68,2.79,;10.68,4.33,;9.35,5.1,;8.02,4.33,;8.02,2.79,;6.68,2.02,;6.68,.48,;5.35,2.79,;4.02,2.02,;2.68,2.79,;1.35,2.02,;1.35,.48,;.01,-.29,;-1.32,.48,;-2.65,-.29,;-3.86,.67,;-5.36,.32,;-6.03,-1.06,;-7.55,-1.27,;-7.83,-2.79,;-9.16,-3.56,;-10.49,-2.79,;-11.83,-3.56,;-11.83,-5.1,;-13.16,-4.33,;-13.16,-2.79,;-6.47,-3.52,;-5.36,-2.45,;-3.86,-2.79,;-2.65,-1.83,;2.68,-.29,;4.02,.48,;11.83,1.76,;13.16,2.53,)| Show InChI InChI=1S/C27H33F3N4O3S/c1-33-15-21-19(3-2-4-20(21)25(33)36)24(35)31-18-7-5-17(6-8-18)9-12-34-13-10-22-23(11-14-34)38-26(32-22)37-16-27(28,29)30/h2-4,17-18H,5-16H2,1H3,(H,31,35)/t17-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0220	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))	BDBM476915 (US10870660, Compound II-047) Show SMILES CN1Cc2c(cccc2C(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)C1=O |r,wU:15.16,wD:12.12,(11.97,-.99,;11.2,.35,;9.67,.51,;9.35,2.02,;10.68,2.79,;10.68,4.33,;9.35,5.1,;8.02,4.33,;8.02,2.79,;6.68,2.02,;6.68,.48,;5.35,2.79,;4.02,2.02,;2.68,2.79,;1.35,2.02,;1.35,.48,;.01,-.29,;-1.32,.48,;-2.65,-.29,;-3.86,.67,;-5.36,.32,;-6.03,-1.06,;-7.55,-1.27,;-7.83,-2.79,;-9.16,-3.56,;-10.49,-2.79,;-11.83,-3.56,;-11.83,-5.1,;-13.16,-4.33,;-13.16,-2.79,;-6.47,-3.52,;-5.36,-2.45,;-3.86,-2.79,;-2.65,-1.83,;2.68,-.29,;4.02,.48,;11.83,1.76,;13.16,2.53,)| Show InChI InChI=1S/C27H33F3N4O3S/c1-33-15-21-19(3-2-4-20(21)25(33)36)24(35)31-18-7-5-17(6-8-18)9-12-34-13-10-22-23(11-14-34)38-26(32-22)37-16-27(28,29)30/h2-4,17-18H,5-16H2,1H3,(H,31,35)/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