BDBM50253472 Benzofuran-2-carboxylic acid (4-{2-[((S)-2-amino-4,5,6,7-tetrahydro-benzothiazol-6-yl)-propyl-amino]-ethyl}-cyclohexyl)-amide::CHEMBL494511

SMILES: CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1cc2ccccc2o1)[C@H]1CCc2nc(N)sc2C1

InChI Key: InChIKey=WTWMPEGOAVNGOY-JBACZVJFSA-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 = 50253472   

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))	BDBM50253472 (Benzofuran-2-carboxylic acid (4-{2-[((S)-2-amino-4...) Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1cc2ccccc2o1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,wD:9.12,24.26,(22,-4.24,;22.01,-2.7,;20.67,-1.93,;20.67,-.39,;22.01,.38,;23.34,-.39,;24.68,.38,;24.67,1.92,;26.01,2.68,;27.34,1.91,;27.33,.36,;26,-.4,;28.68,2.67,;30.01,1.9,;30.01,.36,;31.34,2.67,;32.75,2.04,;33.77,3.18,;35.31,3.18,;36.08,4.51,;35.31,5.85,;33.78,5.85,;33.01,4.52,;31.5,4.2,;19.34,.38,;19.34,1.93,;18,2.71,;16.67,1.94,;15.19,2.42,;14.27,1.16,;12.73,1.16,;15.19,-.1,;16.67,.38,;18,-.38,)| Show InChI InChI=1S/C27H36N4O2S/c1-2-14-31(21-11-12-22-25(17-21)34-27(28)30-22)15-13-18-7-9-20(10-8-18)29-26(32)24-16-19-5-3-4-6-23(19)33-24/h3-6,16,18,20-21H,2,7-15,17H2,1H3,(H2,28,30)(H,29,32)/t18-,20-,21-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.510	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))	BDBM50253472 (Benzofuran-2-carboxylic acid (4-{2-[((S)-2-amino-4...) Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1cc2ccccc2o1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,wD:9.12,24.26,(22,-4.24,;22.01,-2.7,;20.67,-1.93,;20.67,-.39,;22.01,.38,;23.34,-.39,;24.68,.38,;24.67,1.92,;26.01,2.68,;27.34,1.91,;27.33,.36,;26,-.4,;28.68,2.67,;30.01,1.9,;30.01,.36,;31.34,2.67,;32.75,2.04,;33.77,3.18,;35.31,3.18,;36.08,4.51,;35.31,5.85,;33.78,5.85,;33.01,4.52,;31.5,4.2,;19.34,.38,;19.34,1.93,;18,2.71,;16.67,1.94,;15.19,2.42,;14.27,1.16,;12.73,1.16,;15.19,-.1,;16.67,.38,;18,-.38,)| Show InChI InChI=1S/C27H36N4O2S/c1-2-14-31(21-11-12-22-25(17-21)34-27(28)30-22)15-13-18-7-9-20(10-8-18)29-26(32)24-16-19-5-3-4-6-23(19)33-24/h3-6,16,18,20-21H,2,7-15,17H2,1H3,(H2,28,30)(H,29,32)/t18-,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	68	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)	BDBM50253472 (Benzofuran-2-carboxylic acid (4-{2-[((S)-2-amino-4...) Show SMILES CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)c1cc2ccccc2o1)[C@H]1CCc2nc(N)sc2C1 |r,wU:6.5,wD:9.12,24.26,(22,-4.24,;22.01,-2.7,;20.67,-1.93,;20.67,-.39,;22.01,.38,;23.34,-.39,;24.68,.38,;24.67,1.92,;26.01,2.68,;27.34,1.91,;27.33,.36,;26,-.4,;28.68,2.67,;30.01,1.9,;30.01,.36,;31.34,2.67,;32.75,2.04,;33.77,3.18,;35.31,3.18,;36.08,4.51,;35.31,5.85,;33.78,5.85,;33.01,4.52,;31.5,4.2,;19.34,.38,;19.34,1.93,;18,2.71,;16.67,1.94,;15.19,2.42,;14.27,1.16,;12.73,1.16,;15.19,-.1,;16.67,.38,;18,-.38,)| Show InChI InChI=1S/C27H36N4O2S/c1-2-14-31(21-11-12-22-25(17-21)34-27(28)30-22)15-13-18-7-9-20(10-8-18)29-26(32)24-16-19-5-3-4-6-23(19)33-24/h3-6,16,18,20-21H,2,7-15,17H2,1H3,(H2,28,30)(H,29,32)/t18-,20-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.90E+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