BDBM50401557 CHEMBL2207099

SMILES: Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=ICBWFOBAWJKURO-UHFFFAOYSA-N

Data: 3 KI  5 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 8 hits for monomerid = 50401557   

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
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50401557 (CHEMBL2207099) Show SMILES Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl3N6O2S/c1-23-14(19-21-22-23)6-12-13(4-8(15)7-18-12)20-26(24,25)9-2-3-10(16)11(17)5-9/h2-5,7,20H,6H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	25.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR2 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50401557 (CHEMBL2207099) Show SMILES Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl3N6O2S/c1-23-14(19-21-22-23)6-12-13(4-8(15)7-18-12)20-26(24,25)9-2-3-10(16)11(17)5-9/h2-5,7,20H,6H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR1 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4) (Homo sapiens (Human))	BDBM50401557 (CHEMBL2207099) Show SMILES Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl3N6O2S/c1-23-14(19-21-22-23)6-12-13(4-8(15)7-18-12)20-26(24,25)9-2-3-10(16)11(17)5-9/h2-5,7,20H,6H2,1H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity to CCR4 by 35S-gamma-GTP membrane assay				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50401557 (CHEMBL2207099) Show SMILES Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl3N6O2S/c1-23-14(19-21-22-23)6-12-13(4-8(15)7-18-12)20-26(24,25)9-2-3-10(16)11(17)5-9/h2-5,7,20H,6H2,1H3	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 1A2				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50401557 (CHEMBL2207099) Show SMILES Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl3N6O2S/c1-23-14(19-21-22-23)6-12-13(4-8(15)7-18-12)20-26(24,25)9-2-3-10(16)11(17)5-9/h2-5,7,20H,6H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 2D6				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50401557 (CHEMBL2207099) Show SMILES Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl3N6O2S/c1-23-14(19-21-22-23)6-12-13(4-8(15)7-18-12)20-26(24,25)9-2-3-10(16)11(17)5-9/h2-5,7,20H,6H2,1H3	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	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 2C19				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50401557 (CHEMBL2207099) Show SMILES Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl3N6O2S/c1-23-14(19-21-22-23)6-12-13(4-8(15)7-18-12)20-26(24,25)9-2-3-10(16)11(17)5-9/h2-5,7,20H,6H2,1H3	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	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 2C9				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50401557 (CHEMBL2207099) Show SMILES Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl3N6O2S/c1-23-14(19-21-22-23)6-12-13(4-8(15)7-18-12)20-26(24,25)9-2-3-10(16)11(17)5-9/h2-5,7,20H,6H2,1H3	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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 3A4				Bioorg Med Chem Lett 22: 7252-5 (2012) Article DOI: 10.1016/j.bmcl.2012.09.020 BindingDB Entry DOI: 10.7270/Q21J9BZJ
					More data for this Ligand-Target Pair