BDBM50166032 CHEMBL191894::Naphthalene-2-carboxylic acid {4-[2-((S)-8-methoxy-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-a]quinolin-3-yl)-ethyl]-cyclohexyl}-amide

SMILES: COc1ccc2N3CCN(CCC4CCC(CC4)NC(=O)c4ccc5ccccc5c4)C[C@@H]3CCc2c1

InChI Key: InChIKey=PTRAWPOMIAVCDX-XMJNPIQJSA-N

Data: 3 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 3 hits for monomerid = 50166032   

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 (Rattus norvegicus (Rat))	BDBM50166032 (CHEMBL191894 | Naphthalene-2-carboxylic acid {4-[2...) Show SMILES COc1ccc2N3CCN(CCC4CCC(CC4)NC(=O)c4ccc5ccccc5c4)C[C@@H]3CCc2c1 |wU:32.35,(-5.22,2.89,;-3.9,3.66,;-2.54,2.93,;-2.52,1.37,;-1.19,.65,;.12,1.42,;1.48,.67,;1.42,-.85,;2.75,-1.66,;4.11,-.89,;5.65,-.87,;6.45,-2.2,;7.99,-2.18,;8.73,-.84,;10.27,-.82,;11.06,-2.15,;10.3,-3.48,;8.77,-3.51,;12.6,-2.13,;13.35,-.78,;12.56,.55,;14.89,-.77,;15.63,.58,;17.17,.61,;17.95,-.71,;19.47,-.68,;20.26,-1.98,;19.54,-3.32,;18,-3.36,;17.2,-2.06,;15.66,-2.08,;4.13,.67,;2.8,1.46,;2.78,3,;1.43,3.75,;.12,2.96,;-1.23,3.7,)| Show InChI InChI=1S/C32H39N3O2/c1-37-30-14-15-31-26(21-30)10-13-29-22-34(18-19-35(29)31)17-16-23-6-11-28(12-7-23)33-32(36)27-9-8-24-4-2-3-5-25(24)20-27/h2-5,8-9,14-15,20-21,23,28-29H,6-7,10-13,16-19,22H2,1H3,(H,33,36)/t23?,28?,29-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of [3H]-PD 128907 binding to Dopamine receptor D3 in rat ventral striatum				J Med Chem 48: 3171-81 (2005) Article DOI: 10.1021/jm049031l BindingDB Entry DOI: 10.7270/Q2NZ874W
					More data for this Ligand-Target Pair
Dopamine receptor (RAT)	BDBM50166032 (CHEMBL191894 | Naphthalene-2-carboxylic acid {4-[2...) Show SMILES COc1ccc2N3CCN(CCC4CCC(CC4)NC(=O)c4ccc5ccccc5c4)C[C@@H]3CCc2c1 |wU:32.35,(-5.22,2.89,;-3.9,3.66,;-2.54,2.93,;-2.52,1.37,;-1.19,.65,;.12,1.42,;1.48,.67,;1.42,-.85,;2.75,-1.66,;4.11,-.89,;5.65,-.87,;6.45,-2.2,;7.99,-2.18,;8.73,-.84,;10.27,-.82,;11.06,-2.15,;10.3,-3.48,;8.77,-3.51,;12.6,-2.13,;13.35,-.78,;12.56,.55,;14.89,-.77,;15.63,.58,;17.17,.61,;17.95,-.71,;19.47,-.68,;20.26,-1.98,;19.54,-3.32,;18,-3.36,;17.2,-2.06,;15.66,-2.08,;4.13,.67,;2.8,1.46,;2.78,3,;1.43,3.75,;.12,2.96,;-1.23,3.7,)| Show InChI InChI=1S/C32H39N3O2/c1-37-30-14-15-31-26(21-30)10-13-29-22-34(18-19-35(29)31)17-16-23-6-11-28(12-7-23)33-32(36)27-9-8-24-4-2-3-5-25(24)20-27/h2-5,8-9,14-15,20-21,23,28-29H,6-7,10-13,16-19,22H2,1H3,(H,33,36)/t23?,28?,29-/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of [3H]-Spiperone binding to Dopamine receptor D2-like in rat caudate-putamen membrane				J Med Chem 48: 3171-81 (2005) Article DOI: 10.1021/jm049031l BindingDB Entry DOI: 10.7270/Q2NZ874W
					More data for this Ligand-Target Pair
Dopamine D1B (RAT)	BDBM50166032 (CHEMBL191894 | Naphthalene-2-carboxylic acid {4-[2...) Show SMILES COc1ccc2N3CCN(CCC4CCC(CC4)NC(=O)c4ccc5ccccc5c4)C[C@@H]3CCc2c1 |wU:32.35,(-5.22,2.89,;-3.9,3.66,;-2.54,2.93,;-2.52,1.37,;-1.19,.65,;.12,1.42,;1.48,.67,;1.42,-.85,;2.75,-1.66,;4.11,-.89,;5.65,-.87,;6.45,-2.2,;7.99,-2.18,;8.73,-.84,;10.27,-.82,;11.06,-2.15,;10.3,-3.48,;8.77,-3.51,;12.6,-2.13,;13.35,-.78,;12.56,.55,;14.89,-.77,;15.63,.58,;17.17,.61,;17.95,-.71,;19.47,-.68,;20.26,-1.98,;19.54,-3.32,;18,-3.36,;17.2,-2.06,;15.66,-2.08,;4.13,.67,;2.8,1.46,;2.78,3,;1.43,3.75,;.12,2.96,;-1.23,3.7,)| Show InChI InChI=1S/C32H39N3O2/c1-37-30-14-15-31-26(21-30)10-13-29-22-34(18-19-35(29)31)17-16-23-6-11-28(12-7-23)33-32(36)27-9-8-24-4-2-3-5-25(24)20-27/h2-5,8-9,14-15,20-21,23,28-29H,6-7,10-13,16-19,22H2,1H3,(H,33,36)/t23?,28?,29-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1-like in rat brain				J Med Chem 48: 3171-81 (2005) Article DOI: 10.1021/jm049031l BindingDB Entry DOI: 10.7270/Q2NZ874W
					More data for this Ligand-Target Pair