BDBM50252647 1-Ethyl-3-{(1,4-cis)-4-[4-(1H-indol-4-yl)-piperazin-1-yl]-cyclohexyl}-1H-indole-5-carbonitrile::CHEMBL493684

SMILES: CCn1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N

InChI Key: InChIKey=MOSKUJJUMANAJX-ZRZAMGCNSA-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 = 50252647   

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))	BDBM50252647 (1-Ethyl-3-{(1,4-cis)-4-[4-(1H-indol-4-yl)-piperazi...) Show SMILES CCn1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N |r,wU:8.11,5.4,(16.98,-13.21,;15.58,-12.57,;14.32,-13.46,;12.86,-12.97,;11.95,-14.21,;10.41,-14.19,;9.66,-12.85,;8.11,-12.83,;7.34,-14.16,;8.09,-15.5,;9.63,-15.52,;5.8,-14.15,;5.02,-15.48,;3.48,-15.47,;2.72,-14.13,;3.5,-12.8,;5.04,-12.81,;1.19,-14.13,;.43,-12.79,;-1.11,-12.78,;-1.89,-14.11,;-1.13,-15.46,;-1.6,-16.93,;-.35,-17.84,;.9,-16.93,;.42,-15.46,;12.84,-15.45,;12.5,-16.94,;13.63,-17.99,;15.1,-17.52,;15.43,-16.03,;14.31,-15,;13.29,-19.49,;12.88,-20.97,)| Show InChI InChI=1S/C29H33N5/c1-2-32-20-26(25-18-21(19-30)6-11-29(25)32)22-7-9-23(10-8-22)33-14-16-34(17-15-33)28-5-3-4-27-24(28)12-13-31-27/h3-6,11-13,18,20,22-23,31H,2,7-10,14-17H2,1H3/t22-,23+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.4	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))	BDBM50252647 (1-Ethyl-3-{(1,4-cis)-4-[4-(1H-indol-4-yl)-piperazi...) Show SMILES CCn1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N |r,wU:8.11,5.4,(16.98,-13.21,;15.58,-12.57,;14.32,-13.46,;12.86,-12.97,;11.95,-14.21,;10.41,-14.19,;9.66,-12.85,;8.11,-12.83,;7.34,-14.16,;8.09,-15.5,;9.63,-15.52,;5.8,-14.15,;5.02,-15.48,;3.48,-15.47,;2.72,-14.13,;3.5,-12.8,;5.04,-12.81,;1.19,-14.13,;.43,-12.79,;-1.11,-12.78,;-1.89,-14.11,;-1.13,-15.46,;-1.6,-16.93,;-.35,-17.84,;.9,-16.93,;.42,-15.46,;12.84,-15.45,;12.5,-16.94,;13.63,-17.99,;15.1,-17.52,;15.43,-16.03,;14.31,-15,;13.29,-19.49,;12.88,-20.97,)| Show InChI InChI=1S/C29H33N5/c1-2-32-20-26(25-18-21(19-30)6-11-29(25)32)22-7-9-23(10-8-22)33-14-16-34(17-15-33)28-5-3-4-27-24(28)12-13-31-27/h3-6,11-13,18,20,22-23,31H,2,7-10,14-17H2,1H3/t22-,23+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	564	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