BDBM50252179 5-{4-[(1,4-trans)-4-(5-Fluoro-1H-indol-3-yl)-cyclohexyl]-piperazin-1-yl}-quinoline::CHEMBL481109

SMILES: Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4ncccc34)c2c1

InChI Key: InChIKey=ADAZNIZLARWFMJ-XUTJKUGGSA-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 = 50252179   

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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50252179 (5-{4-[(1,4-trans)-4-(5-Fluoro-1H-indol-3-yl)-cyclo...) Show SMILES Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4ncccc34)c2c1 |r,wU:8.7,wD:11.14,(34.61,-14.19,;34.91,-15.7,;36.38,-16.2,;36.68,-17.71,;35.52,-18.72,;35.51,-20.25,;34.04,-20.71,;33.15,-19.47,;31.61,-19.45,;30.82,-20.78,;29.29,-20.76,;28.53,-19.42,;29.3,-18.09,;30.85,-18.11,;26.99,-19.41,;26.21,-20.74,;24.67,-20.73,;23.91,-19.39,;24.69,-18.06,;26.23,-18.06,;22.37,-19.38,;21.61,-20.72,;20.07,-20.71,;19.3,-19.37,;20.08,-18.04,;19.32,-16.71,;20.09,-15.39,;21.63,-15.4,;22.39,-16.73,;21.61,-18.05,;34.07,-18.22,;33.76,-16.72,)| Show InChI InChI=1S/C27H29FN4/c28-20-8-11-26-23(17-20)24(18-30-26)19-6-9-21(10-7-19)31-13-15-32(16-14-31)27-5-1-4-25-22(27)3-2-12-29-25/h1-5,8,11-12,17-19,21,30H,6-7,9-10,13-16H2/t19-,21-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30	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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50252179 (5-{4-[(1,4-trans)-4-(5-Fluoro-1H-indol-3-yl)-cyclo...) Show SMILES Fc1ccc2[nH]cc([C@H]3CC[C@@H](CC3)N3CCN(CC3)c3cccc4ncccc34)c2c1 |r,wU:8.7,wD:11.14,(34.61,-14.19,;34.91,-15.7,;36.38,-16.2,;36.68,-17.71,;35.52,-18.72,;35.51,-20.25,;34.04,-20.71,;33.15,-19.47,;31.61,-19.45,;30.82,-20.78,;29.29,-20.76,;28.53,-19.42,;29.3,-18.09,;30.85,-18.11,;26.99,-19.41,;26.21,-20.74,;24.67,-20.73,;23.91,-19.39,;24.69,-18.06,;26.23,-18.06,;22.37,-19.38,;21.61,-20.72,;20.07,-20.71,;19.3,-19.37,;20.08,-18.04,;19.32,-16.71,;20.09,-15.39,;21.63,-15.4,;22.39,-16.73,;21.61,-18.05,;34.07,-18.22,;33.76,-16.72,)| Show InChI InChI=1S/C27H29FN4/c28-20-8-11-26-23(17-20)24(18-30-26)19-6-9-21(10-7-19)31-13-15-32(16-14-31)27-5-1-4-25-22(27)3-2-12-29-25/h1-5,8,11-12,17-19,21,30H,6-7,9-10,13-16H2/t19-,21-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73	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