BDBM393515 US9969687, Compound 160

SMILES: Cc1ccc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c2C(=O)N(Cc3cccnc3)C(=O)c12

InChI Key: InChIKey=RMJCEGLNPZWTPU-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 = 393515   

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))	BDBM393515 (US9969687, Compound 160) Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c2C(=O)N(Cc3cccnc3)C(=O)c12 Show InChI InChI=1S/C25H25N3O4S/c1-16-7-12-20(27-33(31,32)19-10-8-18(9-11-19)25(2,3)4)22-21(16)23(29)28(24(22)30)15-17-6-5-13-26-14-17/h5-14,27H,15H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	456	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
C-C chemokine receptor type 9 (Homo sapiens (Human))	BDBM393515 (US9969687, Compound 160) Show SMILES Cc1ccc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c2C(=O)N(Cc3cccnc3)C(=O)c12 Show InChI InChI=1S/C25H25N3O4S/c1-16-7-12-20(27-33(31,32)19-10-8-18(9-11-19)25(2,3)4)22-21(16)23(29)28(24(22)30)15-17-6-5-13-26-14-17/h5-14,27H,15H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	776	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