BDBM50253393 CHEMBL495327::Naphthalene-2-carboxylic acid (4-{2-[((S)-2-amino-4,5,6,7-tetrahydro-benzothiazol-6-yl)-propyl-amino]-ethyl}-cyclohexyl)-amide

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

InChI Key: InChIKey=QKVIHOUAEYBMIJ-OPXMRZJTSA-N

Data: 5 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 5 hits for monomerid = 50253393   

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))	BDBM50253393 (CHEMBL495327 | Naphthalene-2-carboxylic acid (4-{2...) Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,wD:25.27,9.12,(-.71,-29.3,;-.71,-27.76,;-2.04,-26.99,;-2.04,-25.45,;-.71,-24.68,;.63,-25.45,;1.96,-24.68,;1.95,-23.14,;3.3,-22.38,;4.63,-23.15,;4.62,-24.69,;3.29,-25.46,;5.96,-22.39,;7.29,-23.16,;7.29,-24.7,;8.63,-22.39,;9.96,-23.16,;11.29,-22.4,;11.29,-20.86,;12.62,-20.09,;12.62,-18.55,;11.28,-17.78,;9.95,-18.55,;9.95,-20.08,;8.62,-20.85,;-3.37,-24.67,;-3.37,-23.13,;-4.72,-22.35,;-6.05,-23.12,;-7.53,-22.64,;-8.45,-23.9,;-9.99,-23.9,;-7.53,-25.16,;-6.05,-24.67,;-4.72,-25.44,)| Show InChI InChI=1S/C29H38N4OS/c1-2-16-33(25-13-14-26-27(19-25)35-29(30)32-26)17-15-20-7-11-24(12-8-20)31-28(34)23-10-9-21-5-3-4-6-22(21)18-23/h3-6,9-10,18,20,24-25H,2,7-8,11-17,19H2,1H3,(H2,30,32)(H,31,34)/t20-,24-,25-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	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(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50253393 (CHEMBL495327 | Naphthalene-2-carboxylic acid (4-{2...) Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,wD:25.27,9.12,(-.71,-29.3,;-.71,-27.76,;-2.04,-26.99,;-2.04,-25.45,;-.71,-24.68,;.63,-25.45,;1.96,-24.68,;1.95,-23.14,;3.3,-22.38,;4.63,-23.15,;4.62,-24.69,;3.29,-25.46,;5.96,-22.39,;7.29,-23.16,;7.29,-24.7,;8.63,-22.39,;9.96,-23.16,;11.29,-22.4,;11.29,-20.86,;12.62,-20.09,;12.62,-18.55,;11.28,-17.78,;9.95,-18.55,;9.95,-20.08,;8.62,-20.85,;-3.37,-24.67,;-3.37,-23.13,;-4.72,-22.35,;-6.05,-23.12,;-7.53,-22.64,;-8.45,-23.9,;-9.99,-23.9,;-7.53,-25.16,;-6.05,-24.67,;-4.72,-25.44,)| Show InChI InChI=1S/C29H38N4OS/c1-2-16-33(25-13-14-26-27(19-25)35-29(30)32-26)17-15-20-7-11-24(12-8-20)31-28(34)23-10-9-21-5-3-4-6-22(21)18-23/h3-6,9-10,18,20,24-25H,2,7-8,11-17,19H2,1H3,(H2,30,32)(H,31,34)/t20-,24-,25-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]R(+)-7-OH-DPAT from Sprague-Dawley rat dopamine D3 receptor after 90 mins				ACS Med Chem Lett 2: 620-625 (2011) Article DOI: 10.1021/ml200100t BindingDB Entry DOI: 10.7270/Q2028SQ8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50253393 (CHEMBL495327 | Naphthalene-2-carboxylic acid (4-{2...) Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,wD:25.27,9.12,(-.71,-29.3,;-.71,-27.76,;-2.04,-26.99,;-2.04,-25.45,;-.71,-24.68,;.63,-25.45,;1.96,-24.68,;1.95,-23.14,;3.3,-22.38,;4.63,-23.15,;4.62,-24.69,;3.29,-25.46,;5.96,-22.39,;7.29,-23.16,;7.29,-24.7,;8.63,-22.39,;9.96,-23.16,;11.29,-22.4,;11.29,-20.86,;12.62,-20.09,;12.62,-18.55,;11.28,-17.78,;9.95,-18.55,;9.95,-20.08,;8.62,-20.85,;-3.37,-24.67,;-3.37,-23.13,;-4.72,-22.35,;-6.05,-23.12,;-7.53,-22.64,;-8.45,-23.9,;-9.99,-23.9,;-7.53,-25.16,;-6.05,-24.67,;-4.72,-25.44,)| Show InChI InChI=1S/C29H38N4OS/c1-2-16-33(25-13-14-26-27(19-25)35-29(30)32-26)17-15-20-7-11-24(12-8-20)31-28(34)23-10-9-21-5-3-4-6-22(21)18-23/h3-6,9-10,18,20,24-25H,2,7-8,11-17,19H2,1H3,(H2,30,32)(H,31,34)/t20-,24-,25-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates				Bioorg Med Chem Lett 22: 5612-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.003 BindingDB Entry DOI: 10.7270/Q2V69KPV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50253393 (CHEMBL495327 | Naphthalene-2-carboxylic acid (4-{2...) Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,wD:25.27,9.12,(-.71,-29.3,;-.71,-27.76,;-2.04,-26.99,;-2.04,-25.45,;-.71,-24.68,;.63,-25.45,;1.96,-24.68,;1.95,-23.14,;3.3,-22.38,;4.63,-23.15,;4.62,-24.69,;3.29,-25.46,;5.96,-22.39,;7.29,-23.16,;7.29,-24.7,;8.63,-22.39,;9.96,-23.16,;11.29,-22.4,;11.29,-20.86,;12.62,-20.09,;12.62,-18.55,;11.28,-17.78,;9.95,-18.55,;9.95,-20.08,;8.62,-20.85,;-3.37,-24.67,;-3.37,-23.13,;-4.72,-22.35,;-6.05,-23.12,;-7.53,-22.64,;-8.45,-23.9,;-9.99,-23.9,;-7.53,-25.16,;-6.05,-24.67,;-4.72,-25.44,)| Show InChI InChI=1S/C29H38N4OS/c1-2-16-33(25-13-14-26-27(19-25)35-29(30)32-26)17-15-20-7-11-24(12-8-20)31-28(34)23-10-9-21-5-3-4-6-22(21)18-23/h3-6,9-10,18,20,24-25H,2,7-8,11-17,19H2,1H3,(H2,30,32)(H,31,34)/t20-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	307	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)	BDBM50253393 (CHEMBL495327 | Naphthalene-2-carboxylic acid (4-{2...) Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,wD:25.27,9.12,(-.71,-29.3,;-.71,-27.76,;-2.04,-26.99,;-2.04,-25.45,;-.71,-24.68,;.63,-25.45,;1.96,-24.68,;1.95,-23.14,;3.3,-22.38,;4.63,-23.15,;4.62,-24.69,;3.29,-25.46,;5.96,-22.39,;7.29,-23.16,;7.29,-24.7,;8.63,-22.39,;9.96,-23.16,;11.29,-22.4,;11.29,-20.86,;12.62,-20.09,;12.62,-18.55,;11.28,-17.78,;9.95,-18.55,;9.95,-20.08,;8.62,-20.85,;-3.37,-24.67,;-3.37,-23.13,;-4.72,-22.35,;-6.05,-23.12,;-7.53,-22.64,;-8.45,-23.9,;-9.99,-23.9,;-7.53,-25.16,;-6.05,-24.67,;-4.72,-25.44,)| Show InChI InChI=1S/C29H38N4OS/c1-2-16-33(25-13-14-26-27(19-25)35-29(30)32-26)17-15-20-7-11-24(12-8-20)31-28(34)23-10-9-21-5-3-4-6-22(21)18-23/h3-6,9-10,18,20,24-25H,2,7-8,11-17,19H2,1H3,(H2,30,32)(H,31,34)/t20-,24-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+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