BDBM50306849 CHEMBL601855::N-(Cyclopropylmethyl)-4-methoxy-N-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propyl)benzenesulfonamide

SMILES: COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)CC1CC1

InChI Key: InChIKey=WUCMKNBEIOKYLN-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50306849   

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 2C (Homo sapiens (Human))	BDBM50306849 (CHEMBL601855 | N-(Cyclopropylmethyl)-4-methoxy-N-(...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)CC1CC1 Show InChI InChI=1S/C25H32F3N3O3S/c1-34-23-8-10-24(11-9-23)35(32,33)31(19-20-6-7-20)13-3-12-29-14-16-30(17-15-29)22-5-2-4-21(18-22)25(26,27)28/h2,4-5,8-11,18,20H,3,6-7,12-17,19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO-K1 cells				Bioorg Med Chem 18: 1665-75 (2010) Article DOI: 10.1016/j.bmc.2009.12.067 BindingDB Entry DOI: 10.7270/Q2R78F99
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50306849 (CHEMBL601855 | N-(Cyclopropylmethyl)-4-methoxy-N-(...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)CC1CC1 Show InChI InChI=1S/C25H32F3N3O3S/c1-34-23-8-10-24(11-9-23)35(32,33)31(19-20-6-7-20)13-3-12-29-14-16-30(17-15-29)22-5-2-4-21(18-22)25(26,27)28/h2,4-5,8-11,18,20H,3,6-7,12-17,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	726	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells				Bioorg Med Chem 18: 1665-75 (2010) Article DOI: 10.1016/j.bmc.2009.12.067 BindingDB Entry DOI: 10.7270/Q2R78F99
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50306849 (CHEMBL601855 | N-(Cyclopropylmethyl)-4-methoxy-N-(...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)CC1CC1 Show InChI InChI=1S/C25H32F3N3O3S/c1-34-23-8-10-24(11-9-23)35(32,33)31(19-20-6-7-20)13-3-12-29-14-16-30(17-15-29)22-5-2-4-21(18-22)25(26,27)28/h2,4-5,8-11,18,20H,3,6-7,12-17,19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells				Bioorg Med Chem 18: 1665-75 (2010) Article DOI: 10.1016/j.bmc.2009.12.067 BindingDB Entry DOI: 10.7270/Q2R78F99
					More data for this Ligand-Target Pair