BDBM476758 US10870660, Compound III-024

SMILES: CN1Cc2c(cccc2C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)C1=O

InChI Key: InChIKey=MSNNKJFHFNWHFR-AQYVVDRMSA-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 = 476758   

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))	BDBM476758 (US10870660, Compound III-024) Show SMILES CN1Cc2c(cccc2C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)C1=O |r,wU:15.16,wD:12.12,(12.04,-1.54,;11.27,-.21,;9.74,-.05,;9.42,1.46,;10.75,2.23,;10.75,3.77,;9.42,4.54,;8.09,3.77,;8.09,2.23,;6.75,1.46,;6.75,-.08,;5.42,2.23,;4.08,1.46,;2.75,2.23,;1.42,1.46,;1.42,-.08,;.08,-.85,;-1.25,-.08,;-2.58,-.85,;-2.47,-2.39,;-3.6,-3.43,;-5.12,-3.21,;-5.89,-4.54,;-7.43,-4.54,;-8.2,-3.21,;-9.74,-3.21,;-10.51,-1.87,;-12.05,-1.87,;-12.82,-.54,;-12.05,-3.41,;-13.38,-2.64,;-7.43,-1.87,;-5.89,-1.87,;-5.33,-.44,;-3.86,.02,;2.75,-.85,;4.08,-.08,;11.9,1.2,;13.38,1.6,)| Show InChI InChI=1S/C30H38F2N4O3/c1-30(31,32)19-39-27-11-8-21-13-16-36(17-14-26(21)34-27)15-12-20-6-9-22(10-7-20)33-28(37)23-4-3-5-24-25(23)18-35(2)29(24)38/h3-5,8,11,20,22H,6-7,9-10,12-19H2,1-2H3,(H,33,37)/t20-,22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0120	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))	BDBM476758 (US10870660, Compound III-024) Show SMILES CN1Cc2c(cccc2C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)C1=O |r,wU:15.16,wD:12.12,(12.04,-1.54,;11.27,-.21,;9.74,-.05,;9.42,1.46,;10.75,2.23,;10.75,3.77,;9.42,4.54,;8.09,3.77,;8.09,2.23,;6.75,1.46,;6.75,-.08,;5.42,2.23,;4.08,1.46,;2.75,2.23,;1.42,1.46,;1.42,-.08,;.08,-.85,;-1.25,-.08,;-2.58,-.85,;-2.47,-2.39,;-3.6,-3.43,;-5.12,-3.21,;-5.89,-4.54,;-7.43,-4.54,;-8.2,-3.21,;-9.74,-3.21,;-10.51,-1.87,;-12.05,-1.87,;-12.82,-.54,;-12.05,-3.41,;-13.38,-2.64,;-7.43,-1.87,;-5.89,-1.87,;-5.33,-.44,;-3.86,.02,;2.75,-.85,;4.08,-.08,;11.9,1.2,;13.38,1.6,)| Show InChI InChI=1S/C30H38F2N4O3/c1-30(31,32)19-39-27-11-8-21-13-16-36(17-14-26(21)34-27)15-12-20-6-9-22(10-7-20)33-28(37)23-4-3-5-24-25(23)18-35(2)29(24)38/h3-5,8,11,20,22H,6-7,9-10,12-19H2,1-2H3,(H,33,37)/t20-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	140	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