BDBM50253394 CHEMBL494308::Naphthalene-2-carboxylic acid (4-{2-[((S)-2-amino-4,5,6,7-tetrahydro-benzothiazol-6-yl)-butyl-amino]-ethyl}-cyclohexyl)-amide

SMILES: CCCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1

InChI Key: InChIKey=XLKUVKBPRSKDBI-MZBJOSPHSA-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 = 50253394   

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))	BDBM50253394 (CHEMBL494308 | Naphthalene-2-carboxylic acid (4-{2...) Show SMILES CCCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:7.6,wD:26.28,10.13,(25.45,-29.36,;24.12,-28.59,;24.12,-27.05,;22.79,-26.28,;22.79,-24.74,;24.12,-23.97,;25.46,-24.74,;26.79,-23.97,;26.78,-22.43,;28.12,-21.67,;29.46,-22.44,;29.45,-23.98,;28.11,-24.75,;30.79,-21.68,;32.12,-22.45,;32.12,-23.99,;33.46,-21.68,;34.79,-22.45,;36.12,-21.69,;36.11,-20.15,;37.45,-19.38,;37.45,-17.84,;36.11,-17.07,;34.78,-17.84,;34.78,-19.37,;33.45,-20.14,;21.46,-23.96,;21.46,-22.42,;20.11,-21.64,;18.78,-22.41,;17.3,-21.93,;16.38,-23.19,;14.84,-23.19,;17.3,-24.45,;18.78,-23.96,;20.11,-24.73,)| Show InChI InChI=1S/C30H40N4OS/c1-2-3-17-34(26-14-15-27-28(20-26)36-30(31)33-27)18-16-21-8-12-25(13-9-21)32-29(35)24-11-10-22-6-4-5-7-23(22)19-24/h4-7,10-11,19,21,25-26H,2-3,8-9,12-18,20H2,1H3,(H2,31,33)(H,32,35)/t21-,25-,26-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]PD128907 from dopamine D3 receptor in Sprague-Dawley rat ventral striatum				J Med Chem 51: 5905-8 (2008) Article DOI: 10.1021/jm800471h BindingDB Entry DOI: 10.7270/Q2FN161H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50253394 (CHEMBL494308 | Naphthalene-2-carboxylic acid (4-{2...) Show SMILES CCCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:7.6,wD:26.28,10.13,(25.45,-29.36,;24.12,-28.59,;24.12,-27.05,;22.79,-26.28,;22.79,-24.74,;24.12,-23.97,;25.46,-24.74,;26.79,-23.97,;26.78,-22.43,;28.12,-21.67,;29.46,-22.44,;29.45,-23.98,;28.11,-24.75,;30.79,-21.68,;32.12,-22.45,;32.12,-23.99,;33.46,-21.68,;34.79,-22.45,;36.12,-21.69,;36.11,-20.15,;37.45,-19.38,;37.45,-17.84,;36.11,-17.07,;34.78,-17.84,;34.78,-19.37,;33.45,-20.14,;21.46,-23.96,;21.46,-22.42,;20.11,-21.64,;18.78,-22.41,;17.3,-21.93,;16.38,-23.19,;14.84,-23.19,;17.3,-24.45,;18.78,-23.96,;20.11,-24.73,)| Show InChI InChI=1S/C30H40N4OS/c1-2-3-17-34(26-14-15-27-28(20-26)36-30(31)33-27)18-16-21-8-12-25(13-9-21)32-29(35)24-11-10-22-6-4-5-7-23(22)19-24/h4-7,10-11,19,21,25-26H,2-3,8-9,12-18,20H2,1H3,(H2,31,33)(H,32,35)/t21-,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]Spiperone from D2 receptor in Sprague-Dawley rat caudate-putamen				J Med Chem 51: 5905-8 (2008) Article DOI: 10.1021/jm800471h BindingDB Entry DOI: 10.7270/Q2FN161H
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50253394 (CHEMBL494308 | Naphthalene-2-carboxylic acid (4-{2...) Show SMILES CCCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:7.6,wD:26.28,10.13,(25.45,-29.36,;24.12,-28.59,;24.12,-27.05,;22.79,-26.28,;22.79,-24.74,;24.12,-23.97,;25.46,-24.74,;26.79,-23.97,;26.78,-22.43,;28.12,-21.67,;29.46,-22.44,;29.45,-23.98,;28.11,-24.75,;30.79,-21.68,;32.12,-22.45,;32.12,-23.99,;33.46,-21.68,;34.79,-22.45,;36.12,-21.69,;36.11,-20.15,;37.45,-19.38,;37.45,-17.84,;36.11,-17.07,;34.78,-17.84,;34.78,-19.37,;33.45,-20.14,;21.46,-23.96,;21.46,-22.42,;20.11,-21.64,;18.78,-22.41,;17.3,-21.93,;16.38,-23.19,;14.84,-23.19,;17.3,-24.45,;18.78,-23.96,;20.11,-24.73,)| Show InChI InChI=1S/C30H40N4OS/c1-2-3-17-34(26-14-15-27-28(20-26)36-30(31)33-27)18-16-21-8-12-25(13-9-21)32-29(35)24-11-10-22-6-4-5-7-23(22)19-24/h4-7,10-11,19,21,25-26H,2-3,8-9,12-18,20H2,1H3,(H2,31,33)(H,32,35)/t21-,25-,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]SCH23390 from D1-like receptor in Sprague-Dawley rat striatum				J Med Chem 51: 5905-8 (2008) Article DOI: 10.1021/jm800471h BindingDB Entry DOI: 10.7270/Q2FN161H
					More data for this Ligand-Target Pair