BDBM50102010 3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]-1H-indole-5-carbonitrile::CHEMBL54465::cis-3-(4-(3,4-dihydroisoquinolin-2(1H)-yl)cyclohexyl)-1H-indole-5-carbonitrile

SMILES: N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1

InChI Key: InChIKey=LOEPSYRVNXADMM-TYKWCNGQSA-N

Data: 7 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 7 hits for monomerid = 50102010   

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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50102010 (3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...) Show SMILES N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1 |r,wU:12.15,9.8,(-6.79,-2.79,;-6.31,-4.25,;-5.83,-5.72,;-6.86,-6.87,;-6.38,-8.33,;-4.87,-8.64,;-4.09,-9.98,;-2.57,-9.65,;-2.42,-8.11,;-1.09,-7.33,;.25,-8.11,;1.58,-7.34,;1.58,-5.8,;.24,-5.03,;-1.1,-5.81,;2.91,-5.03,;2.91,-3.5,;4.25,-2.73,;5.58,-3.5,;6.91,-2.74,;8.23,-3.51,;8.23,-5.05,;6.89,-5.81,;5.57,-5.04,;4.25,-5.81,;-3.84,-7.48,;-4.32,-6.03,)| Show InChI InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Laboratories Curated by ChEMBL					Assay Description In vitro for its binding affinity for serotonin transporter RB5-HT-T in rat cortical membranes				Bioorg Med Chem Lett 11: 1885-8 (2001) BindingDB Entry DOI: 10.7270/Q2GM86K9
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50102010 (3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...) Show SMILES N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1 |r,wU:12.15,9.8,(-6.79,-2.79,;-6.31,-4.25,;-5.83,-5.72,;-6.86,-6.87,;-6.38,-8.33,;-4.87,-8.64,;-4.09,-9.98,;-2.57,-9.65,;-2.42,-8.11,;-1.09,-7.33,;.25,-8.11,;1.58,-7.34,;1.58,-5.8,;.24,-5.03,;-1.1,-5.81,;2.91,-5.03,;2.91,-3.5,;4.25,-2.73,;5.58,-3.5,;6.91,-2.74,;8.23,-3.51,;8.23,-5.05,;6.89,-5.81,;5.57,-5.04,;4.25,-5.81,;-3.84,-7.48,;-4.32,-6.03,)| Show InChI InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Interdisziplinäre Isotopenforschung Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 18: 4727-30 (2008) Article DOI: 10.1016/j.bmcl.2008.06.077 BindingDB Entry DOI: 10.7270/Q2M61K2K
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50102010 (3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...) Show SMILES N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1 |r,wU:12.15,9.8,(-6.79,-2.79,;-6.31,-4.25,;-5.83,-5.72,;-6.86,-6.87,;-6.38,-8.33,;-4.87,-8.64,;-4.09,-9.98,;-2.57,-9.65,;-2.42,-8.11,;-1.09,-7.33,;.25,-8.11,;1.58,-7.34,;1.58,-5.8,;.24,-5.03,;-1.1,-5.81,;2.91,-5.03,;2.91,-3.5,;4.25,-2.73,;5.58,-3.5,;6.91,-2.74,;8.23,-3.51,;8.23,-5.05,;6.89,-5.81,;5.57,-5.04,;4.25,-5.81,;-3.84,-7.48,;-4.32,-6.03,)| Show InChI InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	189	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Interdisziplinäre Isotopenforschung Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 18: 4727-30 (2008) Article DOI: 10.1016/j.bmcl.2008.06.077 BindingDB Entry DOI: 10.7270/Q2M61K2K
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50102010 (3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...) Show SMILES N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1 |r,wU:12.15,9.8,(-6.79,-2.79,;-6.31,-4.25,;-5.83,-5.72,;-6.86,-6.87,;-6.38,-8.33,;-4.87,-8.64,;-4.09,-9.98,;-2.57,-9.65,;-2.42,-8.11,;-1.09,-7.33,;.25,-8.11,;1.58,-7.34,;1.58,-5.8,;.24,-5.03,;-1.1,-5.81,;2.91,-5.03,;2.91,-3.5,;4.25,-2.73,;5.58,-3.5,;6.91,-2.74,;8.23,-3.51,;8.23,-5.05,;6.89,-5.81,;5.57,-5.04,;4.25,-5.81,;-3.84,-7.48,;-4.32,-6.03,)| Show InChI InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	337	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at Alpha-1 adrenergic receptors on rat cortical membranes by [3H]prazosin displacement.				Bioorg Med Chem Lett 11: 1885-8 (2001) BindingDB Entry DOI: 10.7270/Q2GM86K9
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50102010 (3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...) Show SMILES N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1 |r,wU:12.15,9.8,(-6.79,-2.79,;-6.31,-4.25,;-5.83,-5.72,;-6.86,-6.87,;-6.38,-8.33,;-4.87,-8.64,;-4.09,-9.98,;-2.57,-9.65,;-2.42,-8.11,;-1.09,-7.33,;.25,-8.11,;1.58,-7.34,;1.58,-5.8,;.24,-5.03,;-1.1,-5.81,;2.91,-5.03,;2.91,-3.5,;4.25,-2.73,;5.58,-3.5,;6.91,-2.74,;8.23,-3.51,;8.23,-5.05,;6.89,-5.81,;5.57,-5.04,;4.25,-5.81,;-3.84,-7.48,;-4.32,-6.03,)| Show InChI InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	424	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Interdisziplinäre Isotopenforschung Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from human DAT expressed in HEK293 cells				Bioorg Med Chem Lett 18: 4727-30 (2008) Article DOI: 10.1016/j.bmcl.2008.06.077 BindingDB Entry DOI: 10.7270/Q2M61K2K
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50102010 (3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...) Show SMILES N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1 |r,wU:12.15,9.8,(-6.79,-2.79,;-6.31,-4.25,;-5.83,-5.72,;-6.86,-6.87,;-6.38,-8.33,;-4.87,-8.64,;-4.09,-9.98,;-2.57,-9.65,;-2.42,-8.11,;-1.09,-7.33,;.25,-8.11,;1.58,-7.34,;1.58,-5.8,;.24,-5.03,;-1.1,-5.81,;2.91,-5.03,;2.91,-3.5,;4.25,-2.73,;5.58,-3.5,;6.91,-2.74,;8.23,-3.51,;8.23,-5.05,;6.89,-5.81,;5.57,-5.04,;4.25,-5.81,;-3.84,-7.48,;-4.32,-6.03,)| Show InChI InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Interdisziplinäre Isotopenforschung Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortical membrane				Bioorg Med Chem Lett 18: 4727-30 (2008) Article DOI: 10.1016/j.bmcl.2008.06.077 BindingDB Entry DOI: 10.7270/Q2M61K2K
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50102010 (3-[4-(3,4-Dihydro-1H-isoquinolin-2-yl)-cyclohexyl]...) Show SMILES N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCc4ccccc4C3)c2c1 |r,wU:12.15,9.8,(-6.79,-2.79,;-6.31,-4.25,;-5.83,-5.72,;-6.86,-6.87,;-6.38,-8.33,;-4.87,-8.64,;-4.09,-9.98,;-2.57,-9.65,;-2.42,-8.11,;-1.09,-7.33,;.25,-8.11,;1.58,-7.34,;1.58,-5.8,;.24,-5.03,;-1.1,-5.81,;2.91,-5.03,;2.91,-3.5,;4.25,-2.73,;5.58,-3.5,;6.91,-2.74,;8.23,-3.51,;8.23,-5.05,;6.89,-5.81,;5.57,-5.04,;4.25,-5.81,;-3.84,-7.48,;-4.32,-6.03,)| Show InChI InChI=1S/C24H25N3/c25-14-17-5-10-24-22(13-17)23(15-26-24)19-6-8-21(9-7-19)27-12-11-18-3-1-2-4-20(18)16-27/h1-5,10,13,15,19,21,26H,6-9,11-12,16H2/t19-,21+	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Interdisziplinäre Isotopenforschung Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells				Bioorg Med Chem Lett 18: 4727-30 (2008) Article DOI: 10.1016/j.bmcl.2008.06.077 BindingDB Entry DOI: 10.7270/Q2M61K2K
					More data for this Ligand-Target Pair