BDBM50380874 CHEMBL2016602

SMILES: COc1cccc2n(Cc3ccc(CO)cc3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12

InChI Key: InChIKey=LWJXGNZUXMJONG-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50380874   

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))	BDBM50380874 (CHEMBL2016602) Show SMILES COc1cccc2n(Cc3ccc(CO)cc3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 Show InChI InChI=1S/C20H18ClN3O4S2/c1-28-16-4-2-3-15-19(16)20(23-30(26,27)18-10-9-17(21)29-18)22-24(15)11-13-5-7-14(12-25)8-6-13/h2-10,25H,11-12H2,1H3,(H,22,23)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	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))	BDBM50380874 (CHEMBL2016602) Show SMILES COc1cccc2n(Cc3ccc(CO)cc3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 Show InChI InChI=1S/C20H18ClN3O4S2/c1-28-16-4-2-3-15-19(16)20(23-30(26,27)18-10-9-17(21)29-18)22-24(15)11-13-5-7-14(12-25)8-6-13/h2-10,25H,11-12H2,1H3,(H,22,23)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47.9	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