BDBM50258457 CHEMBL4091193

SMILES: Clc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12

InChI Key: InChIKey=HQRNKAQTZUDDEM-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50258457   

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 (Homo sapiens (Human))	BDBM50258457 (CHEMBL4091193) Show SMILES Clc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18| Show InChI InChI=1S/C22H23Cl2N3O2S/c23-17-3-1-4-19(13-17)30(28,29)26-9-2-10-27-11-7-16(8-12-27)21-15-25-22-6-5-18(24)14-20(21)22/h1,3-7,13-15,25-26H,2,8-12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50258457 (CHEMBL4091193) Show SMILES Clc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18| Show InChI InChI=1S/C22H23Cl2N3O2S/c23-17-3-1-4-19(13-17)30(28,29)26-9-2-10-27-11-7-16(8-12-27)21-15-25-22-6-5-18(24)14-20(21)22/h1,3-7,13-15,25-26H,2,8-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.60	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
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50258457 (CHEMBL4091193) Show SMILES Clc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18| Show InChI InChI=1S/C22H23Cl2N3O2S/c23-17-3-1-4-19(13-17)30(28,29)26-9-2-10-27-11-7-16(8-12-27)21-15-25-22-6-5-18(24)14-20(21)22/h1,3-7,13-15,25-26H,2,8-12H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	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
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50258457 (CHEMBL4091193) Show SMILES Clc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18| Show InChI InChI=1S/C22H23Cl2N3O2S/c23-17-3-1-4-19(13-17)30(28,29)26-9-2-10-27-11-7-16(8-12-27)21-15-25-22-6-5-18(24)14-20(21)22/h1,3-7,13-15,25-26H,2,8-12H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	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))	BDBM50258457 (CHEMBL4091193) Show SMILES Clc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:18| Show InChI InChI=1S/C22H23Cl2N3O2S/c23-17-3-1-4-19(13-17)30(28,29)26-9-2-10-27-11-7-16(8-12-27)21-15-25-22-6-5-18(24)14-20(21)22/h1,3-7,13-15,25-26H,2,8-12H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	120	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