BDBM50258491 CHEMBL4088249

SMILES: Fc1ccc(cc1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12

InChI Key: InChIKey=KZEYXTUKYCDDAJ-UHFFFAOYSA-N

Data: 5 KI  1 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 6 hits for monomerid = 50258491   

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))	BDBM50258491 (CHEMBL4088249) Show SMILES Fc1ccc(cc1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17| Show InChI InChI=1S/C21H21ClFN3O2S/c22-16-1-6-21-19(13-16)20(14-24-21)15-7-10-26(11-8-15)12-9-25-29(27,28)18-4-2-17(23)3-5-18/h1-7,13-14,24-25H,8-12H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50258491 (CHEMBL4088249) Show SMILES Fc1ccc(cc1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17| Show InChI InChI=1S/C21H21ClFN3O2S/c22-16-1-6-21-19(13-16)20(14-24-21)15-7-10-26(11-8-15)12-9-25-29(27,28)18-4-2-17(23)3-5-18/h1-7,13-14,24-25H,8-12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-imipramine from human serotonin transporter expressed in HEK-293 cell membranes after 30 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50258491 (CHEMBL4088249) Show SMILES Fc1ccc(cc1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17| Show InChI InChI=1S/C21H21ClFN3O2S/c22-16-1-6-21-19(13-16)20(14-24-21)15-7-10-26(11-8-15)12-9-25-29(27,28)18-4-2-17(23)3-5-18/h1-7,13-14,24-25H,8-12H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT7 receptor expressed in CHO-K1 cell membranes after 120 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50258491 (CHEMBL4088249) Show SMILES Fc1ccc(cc1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17| Show InChI InChI=1S/C21H21ClFN3O2S/c22-16-1-6-21-19(13-16)20(14-24-21)15-7-10-26(11-8-15)12-9-25-29(27,28)18-4-2-17(23)3-5-18/h1-7,13-14,24-25H,8-12H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human 5-HT6 receptor expressed in CHO-K1 cell membranes after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50258491 (CHEMBL4088249) Show SMILES Fc1ccc(cc1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17| Show InChI InChI=1S/C21H21ClFN3O2S/c22-16-1-6-21-19(13-16)20(14-24-21)15-7-10-26(11-8-15)12-9-25-29(27,28)18-4-2-17(23)3-5-18/h1-7,13-14,24-25H,8-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Displacement of [3H]-methylspiperone from human D2 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50258491 (CHEMBL4088249) Show SMILES Fc1ccc(cc1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:17| Show InChI InChI=1S/C21H21ClFN3O2S/c22-16-1-6-21-19(13-16)20(14-24-21)15-7-10-26(11-8-15)12-9-25-29(27,28)18-4-2-17(23)3-5-18/h1-7,13-14,24-25H,8-12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Faculty of Pharmacy, Jagiellonian University Medical College , 9 Medyczna Street, 30-688 Kraków, Poland. Curated by ChEMBL					Assay Description Inhibition of SERT expressed in rat brain synaptosomes assessed as decrease in incorporation of [3H]serotonin measured after 15 mins by scintillation...				J Med Chem 60: 7483-7501 (2017) Article DOI: 10.1021/acs.jmedchem.7b00839 BindingDB Entry DOI: 10.7270/Q2K939ZD
					More data for this Ligand-Target Pair