BDBM50398711 CHEMBL2179217

SMILES: COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12

InChI Key: InChIKey=ZPUAIXYROPYWKA-UHFFFAOYSA-N

Data: 10 KI  3 IC50  2 EC50

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 15 hits for monomerid = 50398711   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50398711 (CHEMBL2179217) Show SMILES COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H26ClN3O3S/c1-15-14-26(21-6-4-16(23)12-19(15)21)30(27,28)18-5-7-22(29-3)20(13-18)24-17-8-10-25(2)11-9-17/h4-7,12-14,17,24H,8-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	303	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Binding affinity to dopamine D2 receptor				J Med Chem 55: 9255-69 (2012) Article DOI: 10.1021/jm300955x BindingDB Entry DOI: 10.7270/Q21G0ND0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50398711 (CHEMBL2179217) Show SMILES COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H26ClN3O3S/c1-15-14-26(21-6-4-16(23)12-19(15)21)30(27,28)18-5-7-22(29-3)20(13-18)24-17-8-10-25(2)11-9-17/h4-7,12-14,17,24H,8-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	536	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Binding affinity to 5HT2A receptor				J Med Chem 55: 9255-69 (2012) Article DOI: 10.1021/jm300955x BindingDB Entry DOI: 10.7270/Q21G0ND0
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50398711 (CHEMBL2179217) Show SMILES COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H26ClN3O3S/c1-15-14-26(21-6-4-16(23)12-19(15)21)30(27,28)18-5-7-22(29-3)20(13-18)24-17-8-10-25(2)11-9-17/h4-7,12-14,17,24H,8-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	682	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Binding affinity to histamine H1 receptor				J Med Chem 55: 9255-69 (2012) Article DOI: 10.1021/jm300955x BindingDB Entry DOI: 10.7270/Q21G0ND0
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50398711 (CHEMBL2179217) Show SMILES COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H26ClN3O3S/c1-15-14-26(21-6-4-16(23)12-19(15)21)30(27,28)18-5-7-22(29-3)20(13-18)24-17-8-10-25(2)11-9-17/h4-7,12-14,17,24H,8-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]astemizole from human ERG by microbeta scintillation counting				J Med Chem 55: 9255-69 (2012) Article DOI: 10.1021/jm300955x BindingDB Entry DOI: 10.7270/Q21G0ND0
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50398711 (CHEMBL2179217) Show SMILES COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H26ClN3O3S/c1-15-14-26(21-6-4-16(23)12-19(15)21)30(27,28)18-5-7-22(29-3)20(13-18)24-17-8-10-25(2)11-9-17/h4-7,12-14,17,24H,8-11H2,1-3H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	955	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Binding affinity to adrenergic alpha1B receptor				J Med Chem 55: 9255-69 (2012) Article DOI: 10.1021/jm300955x BindingDB Entry DOI: 10.7270/Q21G0ND0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50398711 (CHEMBL2179217) Show SMILES COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H26ClN3O3S/c1-15-14-26(21-6-4-16(23)12-19(15)21)30(27,28)18-5-7-22(29-3)20(13-18)24-17-8-10-25(2)11-9-17/h4-7,12-14,17,24H,8-11H2,1-3H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Binding affinity to SERT				J Med Chem 55: 9255-69 (2012) Article DOI: 10.1021/jm300955x BindingDB Entry DOI: 10.7270/Q21G0ND0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50398711 (CHEMBL2179217) Show SMILES COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H26ClN3O3S/c1-15-14-26(21-6-4-16(23)12-19(15)21)30(27,28)18-5-7-22(29-3)20(13-18)24-17-8-10-25(2)11-9-17/h4-7,12-14,17,24H,8-11H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Binding affinity to NOR transporter				J Med Chem 55: 9255-69 (2012) Article DOI: 10.1021/jm300955x BindingDB Entry DOI: 10.7270/Q21G0ND0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50398711 (CHEMBL2179217) Show SMILES COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H26ClN3O3S/c1-15-14-26(21-6-4-16(23)12-19(15)21)30(27,28)18-5-7-22(29-3)20(13-18)24-17-8-10-25(2)11-9-17/h4-7,12-14,17,24H,8-11H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Binding affinity to dopamine transporter				J Med Chem 55: 9255-69 (2012) Article DOI: 10.1021/jm300955x BindingDB Entry DOI: 10.7270/Q21G0ND0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50398711 (CHEMBL2179217) Show SMILES COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H26ClN3O3S/c1-15-14-26(21-6-4-16(23)12-19(15)21)30(27,28)18-5-7-22(29-3)20(13-18)24-17-8-10-25(2)11-9-17/h4-7,12-14,17,24H,8-11H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Binding affinity to 5HT2C receptor				J Med Chem 55: 9255-69 (2012) Article DOI: 10.1021/jm300955x BindingDB Entry DOI: 10.7270/Q21G0ND0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50398711 (CHEMBL2179217) Show SMILES COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H26ClN3O3S/c1-15-14-26(21-6-4-16(23)12-19(15)21)30(27,28)18-5-7-22(29-3)20(13-18)24-17-8-10-25(2)11-9-17/h4-7,12-14,17,24H,8-11H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Binding affinity to 5HT7 receptor				J Med Chem 55: 9255-69 (2012) Article DOI: 10.1021/jm300955x BindingDB Entry DOI: 10.7270/Q21G0ND0
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50398711 (CHEMBL2179217) Show SMILES COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H26ClN3O3S/c1-15-14-26(21-6-4-16(23)12-19(15)21)30(27,28)18-5-7-22(29-3)20(13-18)24-17-8-10-25(2)11-9-17/h4-7,12-14,17,24H,8-11H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate after 10 mins by LC-MS/MS analysis in presence of NADPH				J Med Chem 55: 9255-69 (2012) Article DOI: 10.1021/jm300955x BindingDB Entry DOI: 10.7270/Q21G0ND0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50398711 (CHEMBL2179217) Show SMILES COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H26ClN3O3S/c1-15-14-26(21-6-4-16(23)12-19(15)21)30(27,28)18-5-7-22(29-3)20(13-18)24-17-8-10-25(2)11-9-17/h4-7,12-14,17,24H,8-11H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Binding affinity to 5HT1A receptor				J Med Chem 55: 9255-69 (2012) Article DOI: 10.1021/jm300955x BindingDB Entry DOI: 10.7270/Q21G0ND0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50398711 (CHEMBL2179217) Show SMILES COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H26ClN3O3S/c1-15-14-26(21-6-4-16(23)12-19(15)21)30(27,28)18-5-7-22(29-3)20(13-18)24-17-8-10-25(2)11-9-17/h4-7,12-14,17,24H,8-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Binding affinity to 5HT3 receptor				J Med Chem 55: 9255-69 (2012) Article DOI: 10.1021/jm300955x BindingDB Entry DOI: 10.7270/Q21G0ND0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4) (Homo sapiens (Human))	BDBM50398711 (CHEMBL2179217) Show SMILES COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H26ClN3O3S/c1-15-14-26(21-6-4-16(23)12-19(15)21)30(27,28)18-5-7-22(29-3)20(13-18)24-17-8-10-25(2)11-9-17/h4-7,12-14,17,24H,8-11H2,1-3H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Binding affinity to 5HT4 receptor				J Med Chem 55: 9255-69 (2012) Article DOI: 10.1021/jm300955x BindingDB Entry DOI: 10.7270/Q21G0ND0
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50398711 (CHEMBL2179217) Show SMILES COc1ccc(cc1NC1CCN(C)CC1)S(=O)(=O)n1cc(C)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H26ClN3O3S/c1-15-14-26(21-6-4-16(23)12-19(15)21)30(27,28)18-5-7-22(29-3)20(13-18)24-17-8-10-25(2)11-9-17/h4-7,12-14,17,24H,8-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 5 mins by LC-MS/MS analysis in presence of NADPH				J Med Chem 55: 9255-69 (2012) Article DOI: 10.1021/jm300955x BindingDB Entry DOI: 10.7270/Q21G0ND0
					More data for this Ligand-Target Pair