BDBM50386200 CHEMBL2043240

SMILES: NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=JBKSEOCGJGAYMB-UHFFFAOYSA-N

Data: 18 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 18 hits for monomerid = 50386200   

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
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50386200 (CHEMBL2043240) Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon (France) Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Eur J Med Chem 54: 949-51 (2012) Article DOI: 10.1016/j.ejmech.2012.05.038 BindingDB Entry DOI: 10.7270/Q2833T23
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50386200 (CHEMBL2043240) Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.44E+6	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon (France) Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Eur J Med Chem 54: 949-51 (2012) Article DOI: 10.1016/j.ejmech.2012.05.038 BindingDB Entry DOI: 10.7270/Q2833T23
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50386200 (CHEMBL2043240) Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon (France) Curated by ChEMBL					Assay Description Inhibition of rat DAT				Eur J Med Chem 54: 949-51 (2012) Article DOI: 10.1016/j.ejmech.2012.05.038 BindingDB Entry DOI: 10.7270/Q2833T23
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50386200 (CHEMBL2043240) Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon (France) Curated by ChEMBL					Assay Description Inhibition of rat DAT-mediated dopamine reuptake				Eur J Med Chem 54: 949-51 (2012) Article DOI: 10.1016/j.ejmech.2012.05.038 BindingDB Entry DOI: 10.7270/Q2833T23
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50386200 (CHEMBL2043240) Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon (France) Curated by ChEMBL					Assay Description Inhibition of rat DAT-mediated dopamine reuptake				Eur J Med Chem 54: 949-51 (2012) Article DOI: 10.1016/j.ejmech.2012.05.038 BindingDB Entry DOI: 10.7270/Q2833T23
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50386200 (CHEMBL2043240) Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon (France) Curated by ChEMBL					Assay Description Inhibition of rat NET-mediated norepinephrine reuptake				Eur J Med Chem 54: 949-51 (2012) Article DOI: 10.1016/j.ejmech.2012.05.038 BindingDB Entry DOI: 10.7270/Q2833T23
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50386200 (CHEMBL2043240) Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon (France) Curated by ChEMBL					Assay Description Inhibition of rat NET-mediated norepinephrine reuptake				Eur J Med Chem 54: 949-51 (2012) Article DOI: 10.1016/j.ejmech.2012.05.038 BindingDB Entry DOI: 10.7270/Q2833T23
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50386200 (CHEMBL2043240) Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon (France) Curated by ChEMBL					Assay Description Inhibition of rat SERT-mediated serotonin reuptake				Eur J Med Chem 54: 949-51 (2012) Article DOI: 10.1016/j.ejmech.2012.05.038 BindingDB Entry DOI: 10.7270/Q2833T23
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50386200 (CHEMBL2043240) Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon (France) Curated by ChEMBL					Assay Description Inhibition of rat SERT-mediated serotonin reuptake				Eur J Med Chem 54: 949-51 (2012) Article DOI: 10.1016/j.ejmech.2012.05.038 BindingDB Entry DOI: 10.7270/Q2833T23
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50386200 (CHEMBL2043240) Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon (France) Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Eur J Med Chem 54: 949-51 (2012) Article DOI: 10.1016/j.ejmech.2012.05.038 BindingDB Entry DOI: 10.7270/Q2833T23
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50386200 (CHEMBL2043240) Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon (France) Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Eur J Med Chem 54: 949-51 (2012) Article DOI: 10.1016/j.ejmech.2012.05.038 BindingDB Entry DOI: 10.7270/Q2833T23
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50386200 (CHEMBL2043240) Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon (France) Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Eur J Med Chem 54: 949-51 (2012) Article DOI: 10.1016/j.ejmech.2012.05.038 BindingDB Entry DOI: 10.7270/Q2833T23
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (CYP3A5) (Homo sapiens (Human))	BDBM50386200 (CHEMBL2043240) Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon (France) Curated by ChEMBL					Assay Description Inhibition of CYP3A5				Eur J Med Chem 54: 949-51 (2012) Article DOI: 10.1016/j.ejmech.2012.05.038 BindingDB Entry DOI: 10.7270/Q2833T23
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (CYP3A5) (Homo sapiens (Human))	BDBM50386200 (CHEMBL2043240) Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon (France) Curated by ChEMBL					Assay Description Inhibition of CYP3A5				Eur J Med Chem 54: 949-51 (2012) Article DOI: 10.1016/j.ejmech.2012.05.038 BindingDB Entry DOI: 10.7270/Q2833T23
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50386200 (CHEMBL2043240) Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+5	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon (France) Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Eur J Med Chem 54: 949-51 (2012) Article DOI: 10.1016/j.ejmech.2012.05.038 BindingDB Entry DOI: 10.7270/Q2833T23
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50386200 (CHEMBL2043240) Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon (France) Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Eur J Med Chem 54: 949-51 (2012) Article DOI: 10.1016/j.ejmech.2012.05.038 BindingDB Entry DOI: 10.7270/Q2833T23
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50386200 (CHEMBL2043240) Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.16E+5	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon (France) Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Eur J Med Chem 54: 949-51 (2012) Article DOI: 10.1016/j.ejmech.2012.05.038 BindingDB Entry DOI: 10.7270/Q2833T23
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50386200 (CHEMBL2043240) Show SMILES NC(=O)CS(=O)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H13Cl2NO3S/c16-12-6-5-11(7-13(12)17)21-14-4-2-1-3-10(14)8-22(20)9-15(18)19/h1-7H,8-9H2,(H2,18,19)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon (France) Curated by ChEMBL					Assay Description Inhibition of rat DAT				Eur J Med Chem 54: 949-51 (2012) Article DOI: 10.1016/j.ejmech.2012.05.038 BindingDB Entry DOI: 10.7270/Q2833T23
					More data for this Ligand-Target Pair