BDBM50251879 3-{(1,4-cis)-4-[4-(1H-Indol-4-yl)-piperazin-1-yl]-cyclohexyl}-1-propyl-1H-indole-5-carbonitrile::CHEMBL481940

SMILES: CCCn1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N

InChI Key: InChIKey=MCPMBLGHBQTMIY-PSWAGMNNSA-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 = 50251879   

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))	BDBM50251879 (3-{(1,4-cis)-4-[4-(1H-Indol-4-yl)-piperazin-1-yl]-...) Show SMILES CCCn1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N |r,wU:9.12,6.5,(39.98,-12.38,;38.72,-13.27,;37.32,-12.63,;36.06,-13.52,;34.6,-13.03,;33.69,-14.27,;32.15,-14.25,;31.4,-12.91,;29.85,-12.89,;29.08,-14.22,;29.84,-15.56,;31.37,-15.58,;27.54,-14.21,;26.76,-15.54,;25.22,-15.53,;24.46,-14.2,;25.24,-12.87,;26.78,-12.87,;22.93,-14.19,;22.17,-12.85,;20.63,-12.84,;19.85,-14.17,;20.61,-15.52,;20.14,-16.99,;21.39,-17.9,;22.64,-16.99,;22.16,-15.52,;34.58,-15.51,;34.24,-17,;35.37,-18.05,;36.84,-17.59,;37.17,-16.09,;36.05,-15.06,;35.03,-19.55,;34.62,-21.03,)| Show InChI InChI=1S/C30H35N5/c1-2-14-35-21-27(26-19-22(20-31)6-11-30(26)35)23-7-9-24(10-8-23)33-15-17-34(18-16-33)29-5-3-4-28-25(29)12-13-32-28/h3-6,11-13,19,21,23-24,32H,2,7-10,14-18H2,1H3/t23-,24+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26.7	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))	BDBM50251879 (3-{(1,4-cis)-4-[4-(1H-Indol-4-yl)-piperazin-1-yl]-...) Show SMILES CCCn1cc([C@@H]2CC[C@@H](CC2)N2CCN(CC2)c2cccc3[nH]ccc23)c2cc(ccc12)C#N |r,wU:9.12,6.5,(39.98,-12.38,;38.72,-13.27,;37.32,-12.63,;36.06,-13.52,;34.6,-13.03,;33.69,-14.27,;32.15,-14.25,;31.4,-12.91,;29.85,-12.89,;29.08,-14.22,;29.84,-15.56,;31.37,-15.58,;27.54,-14.21,;26.76,-15.54,;25.22,-15.53,;24.46,-14.2,;25.24,-12.87,;26.78,-12.87,;22.93,-14.19,;22.17,-12.85,;20.63,-12.84,;19.85,-14.17,;20.61,-15.52,;20.14,-16.99,;21.39,-17.9,;22.64,-16.99,;22.16,-15.52,;34.58,-15.51,;34.24,-17,;35.37,-18.05,;36.84,-17.59,;37.17,-16.09,;36.05,-15.06,;35.03,-19.55,;34.62,-21.03,)| Show InChI InChI=1S/C30H35N5/c1-2-14-35-21-27(26-19-22(20-31)6-11-30(26)35)23-7-9-24(10-8-23)33-15-17-34(18-16-33)29-5-3-4-28-25(29)12-13-32-28/h3-6,11-13,19,21,23-24,32H,2,7-10,14-18H2,1H3/t23-,24+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	820	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