BDBM393559 US9969687, Compound 230

SMILES: COc1ccc(N2C(=O)c3c(C2=O)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ccc3Cl)c(OC)n1

InChI Key: InChIKey=WGNYGNLZQDEGNT-UHFFFAOYSA-N

Data: 2 KI

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 = 393559   

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 9 (Homo sapiens (Human))	BDBM393559 (US9969687, Compound 230) Show SMILES COc1ccc(N2C(=O)c3c(C2=O)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ccc3Cl)c(OC)n1 Show InChI InChI=1S/C25H24ClN3O6S/c1-25(2,3)14-6-8-15(9-7-14)36(32,33)28-17-11-10-16(26)20-21(17)24(31)29(23(20)30)18-12-13-19(34-4)27-22(18)35-5/h6-13,28H,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description A calcium flux assay was used to determine the ability of the compounds to interfere with the binding between CCR9 and its chemokine ligand (TECK) in...				J Med Chem 52: 2652-5 (2009) BindingDB Entry DOI: 10.7270/Q28W3GNH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393559 (US9969687, Compound 230) Show SMILES COc1ccc(N2C(=O)c3c(C2=O)c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)ccc3Cl)c(OC)n1 Show InChI InChI=1S/C25H24ClN3O6S/c1-25(2,3)14-6-8-15(9-7-14)36(32,33)28-17-11-10-16(26)20-21(17)24(31)29(23(20)30)18-12-13-19(34-4)27-22(18)35-5/h6-13,28H,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Norgine Ltd Curated by ChEMBL					Assay Description Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubate...				J Med Chem 59: 3098-111 (2016) Article DOI: 10.1021/acs.jmedchem.5b01840 BindingDB Entry DOI: 10.7270/Q28918WJ
					More data for this Ligand-Target Pair