BDBM50490519 CHEMBL2326625

SMILES: COc1cccc2n(Cc3cccc(CNC(=O)C4COCCN4C)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12

InChI Key: InChIKey=XFROBWVHVSYXPV-UHFFFAOYSA-N

Data: 2 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 = 50490519   

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 (Homo sapiens (Human))	BDBM50490519 (CHEMBL2326625) Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)C4COCCN4C)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 Show InChI InChI=1S/C26H28ClN5O5S2/c1-31-11-12-37-16-20(31)26(33)28-14-17-5-3-6-18(13-17)15-32-19-7-4-8-21(36-2)24(19)25(29-32)30-39(34,35)23-10-9-22(27)38-23/h3-10,13,20H,11-12,14-16H2,1-2H3,(H,28,33)(H,29,30)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair
C-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50490519 (CHEMBL2326625) Show SMILES COc1cccc2n(Cc3cccc(CNC(=O)C4COCCN4C)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12 Show InChI InChI=1S/C26H28ClN5O5S2/c1-31-11-12-37-16-20(31)26(33)28-14-17-5-3-6-18(13-17)15-32-19-7-4-8-21(36-2)24(19)25(29-32)30-39(34,35)23-10-9-22(27)38-23/h3-10,13,20H,11-12,14-16H2,1-2H3,(H,28,33)(H,29,30)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CCR4 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay				J Med Chem 56: 1946-60 (2013) Article DOI: 10.1021/jm301572h BindingDB Entry DOI: 10.7270/Q26W9F07
					More data for this Ligand-Target Pair