BDBM393549 US9969687, Compound 218

SMILES: CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(C(=O)c12)c1cccnc1F

InChI Key: InChIKey=RYFJGVVCSIBIPZ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 393549   

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))	BDBM393549 (US9969687, Compound 218) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(C(=O)c12)c1cccnc1F Show InChI InChI=1S/C23H19ClFN3O4S/c1-23(2,3)13-6-8-14(9-7-13)33(31,32)27-16-11-10-15(24)18-19(16)22(30)28(21(18)29)17-5-4-12-26-20(17)25/h4-12,27H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	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))	BDBM393549 (US9969687, Compound 218) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(C(=O)c12)c1cccnc1F Show InChI InChI=1S/C23H19ClFN3O4S/c1-23(2,3)13-6-8-14(9-7-13)33(31,32)27-16-11-10-15(24)18-19(16)22(30)28(21(18)29)17-5-4-12-26-20(17)25/h4-12,27H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	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 CCR9A receptor (unknown origin) overexpressed in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intrace...				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))	BDBM393549 (US9969687, Compound 218) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(C(=O)c12)c1cccnc1F Show InChI InChI=1S/C23H19ClFN3O4S/c1-23(2,3)13-6-8-14(9-7-13)33(31,32)27-16-11-10-15(24)18-19(16)22(30)28(21(18)29)17-5-4-12-26-20(17)25/h4-12,27H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	26	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))	BDBM393549 (US9969687, Compound 218) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(C(=O)c12)c1cccnc1F Show InChI InChI=1S/C23H19ClFN3O4S/c1-23(2,3)13-6-8-14(9-7-13)33(31,32)27-16-11-10-15(24)18-19(16)22(30)28(21(18)29)17-5-4-12-26-20(17)25/h4-12,27H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	91	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-mediated cell migration preincubated for 30 mins followed C...				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