BDBM50252278 3-[(1,4-cis)-4-(4-Quinoxalin-5-yl-piperazin-1-yl)-cyclohexyl]-1H-indole-5-carbonitrile::CHEMBL481113

SMILES: N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4nccnc34)c2c1

InChI Key: InChIKey=HHLZERFRYKABGR-OYRHEFFESA-N

Data: 2 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 2 hits for monomerid = 50252278   

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))	BDBM50252278 (3-[(1,4-cis)-4-(4-Quinoxalin-5-yl-piperazin-1-yl)-...) Show SMILES N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4nccnc34)c2c1 |r,wU:9.8,12.15,(-5.41,-44.52,;-5,-46.02,;-4.7,-47.53,;-3.23,-48.02,;-2.93,-49.53,;-4.08,-50.54,;-4.1,-52.08,;-5.57,-52.54,;-6.46,-51.29,;-8,-51.27,;-8.76,-49.93,;-10.3,-49.91,;-11.07,-51.24,;-10.32,-52.58,;-8.78,-52.6,;-12.62,-51.23,;-13.4,-52.56,;-14.94,-52.55,;-15.69,-51.21,;-14.91,-49.88,;-13.38,-49.89,;-17.23,-51.21,;-18,-52.54,;-19.55,-52.53,;-20.32,-51.19,;-19.52,-49.86,;-20.29,-48.54,;-19.52,-47.21,;-17.98,-47.22,;-17.23,-48.55,;-17.99,-49.87,;-5.54,-50.04,;-5.84,-48.54,)| Show InChI InChI=1S/C27H28N6/c28-17-19-4-9-24-22(16-19)23(18-31-24)20-5-7-21(8-6-20)32-12-14-33(15-13-32)26-3-1-2-25-27(26)30-11-10-29-25/h1-4,9-11,16,18,20-21,31H,5-8,12-15H2/t20-,21+	PDB 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
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from rat cortical 5HTT reuptake site				Bioorg Med Chem 16: 6707-23 (2008) Article DOI: 10.1016/j.bmc.2008.05.075 BindingDB Entry DOI: 10.7270/Q2GT5MZ4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50252278 (3-[(1,4-cis)-4-(4-Quinoxalin-5-yl-piperazin-1-yl)-...) Show SMILES N#Cc1ccc2[nH]cc([C@@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4nccnc34)c2c1 |r,wU:9.8,12.15,(-5.41,-44.52,;-5,-46.02,;-4.7,-47.53,;-3.23,-48.02,;-2.93,-49.53,;-4.08,-50.54,;-4.1,-52.08,;-5.57,-52.54,;-6.46,-51.29,;-8,-51.27,;-8.76,-49.93,;-10.3,-49.91,;-11.07,-51.24,;-10.32,-52.58,;-8.78,-52.6,;-12.62,-51.23,;-13.4,-52.56,;-14.94,-52.55,;-15.69,-51.21,;-14.91,-49.88,;-13.38,-49.89,;-17.23,-51.21,;-18,-52.54,;-19.55,-52.53,;-20.32,-51.19,;-19.52,-49.86,;-20.29,-48.54,;-19.52,-47.21,;-17.98,-47.22,;-17.23,-48.55,;-17.99,-49.87,;-5.54,-50.04,;-5.84,-48.54,)| Show InChI InChI=1S/C27H28N6/c28-17-19-4-9-24-22(16-19)23(18-31-24)20-5-7-21(8-6-20)32-12-14-33(15-13-32)26-3-1-2-25-27(26)30-11-10-29-25/h1-4,9-11,16,18,20-21,31H,5-8,12-15H2/t20-,21+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells				Bioorg Med Chem 16: 6707-23 (2008) Article DOI: 10.1016/j.bmc.2008.05.075 BindingDB Entry DOI: 10.7270/Q2GT5MZ4
					More data for this Ligand-Target Pair