BDBM50380866 CHEMBL2018967

SMILES: COc1cccc2n(Cc3cccc(CNC(=O)CO)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12

InChI Key: InChIKey=BVOPWMBIOVEEKK-UHFFFAOYSA-N

Data: 1 KI  1 IC50  1 Kd

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 3 hits for monomerid = 50380866   

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 4 (CCR4) (Homo sapiens (Human))	BDBM50380866 (CHEMBL2018967) Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)CO)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 Show InChI InChI=1S/C22H21ClN4O5S2/c1-32-17-7-3-6-16-21(17)22(26-34(30,31)20-9-8-18(23)33-20)25-27(16)12-15-5-2-4-14(10-15)11-24-19(29)13-28/h2-10,28H,11-13H2,1H3,(H,24,29)(H,25,26)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Displacement of [125I]TARC from human CCR4 expressed in CHO membranes by SPA				Bioorg Med Chem Lett 22: 2730-3 (2012) Article DOI: 10.1016/j.bmcl.2012.02.104 BindingDB Entry DOI: 10.7270/Q2J38TK6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4) (Homo sapiens (Human))	BDBM50380866 (CHEMBL2018967) Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)CO)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 Show InChI InChI=1S/C22H21ClN4O5S2/c1-32-17-7-3-6-16-21(17)22(26-34(30,31)20-9-8-18(23)33-20)25-27(16)12-15-5-2-4-14(10-15)11-24-19(29)13-28/h2-10,28H,11-13H2,1H3,(H,24,29)(H,25,26)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human CCR4 expressed in CHO membranes assessed as inhibition of [35S]-GTPgammaS binding by scintillation counting				Bioorg Med Chem Lett 22: 2730-3 (2012) Article DOI: 10.1016/j.bmcl.2012.02.104 BindingDB Entry DOI: 10.7270/Q2J38TK6
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4) (Homo sapiens (Human))	BDBM50380866 (CHEMBL2018967) Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)CO)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 Show InChI InChI=1S/C22H21ClN4O5S2/c1-32-17-7-3-6-16-21(17)22(26-34(30,31)20-9-8-18(23)33-20)25-27(16)12-15-5-2-4-14(10-15)11-24-19(29)13-28/h2-10,28H,11-13H2,1H3,(H,24,29)(H,25,26)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Antagonist activity at human CCR4 in human whole blood assessed as inhibition of TARC-induced CD4+ CCR4+lymphocyte chemotaxis measuring F-actin conte...				Bioorg Med Chem Lett 22: 2730-3 (2012) Article DOI: 10.1016/j.bmcl.2012.02.104 BindingDB Entry DOI: 10.7270/Q2J38TK6
					More data for this Ligand-Target Pair