BDBM50416300 CHEMBL1171006

SMILES: OC(=O)c1ccccc1Oc1c(F)cc(cc1NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F

InChI Key: InChIKey=AHVWEICLWNKDKM-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50416300   

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 2 (Homo sapiens (Human))	BDBM50416300 (CHEMBL1171006) Show SMILES OC(=O)c1ccccc1Oc1c(F)cc(cc1NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F Show InChI InChI=1S/C20H12ClF4NO5S/c21-12-5-7-13(8-6-12)32(29,30)26-16-10-11(20(23,24)25)9-15(22)18(16)31-17-4-2-1-3-14(17)19(27)28/h1-10,26H,(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.6	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 Antagonist activity at human CCR2 expressed in CHO cells assessed as inhibition of MCP1-induced [35S]-GTPgammaS binding after 3 hrs				Bioorg Med Chem Lett 20: 3961-4 (2010) Article DOI: 10.1016/j.bmcl.2010.04.142 BindingDB Entry DOI: 10.7270/Q2B56KZ9
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50416300 (CHEMBL1171006) Show SMILES OC(=O)c1ccccc1Oc1c(F)cc(cc1NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F Show InChI InChI=1S/C20H12ClF4NO5S/c21-12-5-7-13(8-6-12)32(29,30)26-16-10-11(20(23,24)25)9-15(22)18(16)31-17-4-2-1-3-14(17)19(27)28/h1-10,26H,(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63.1	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 Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis in presence of 1% fetal bovine serum				Bioorg Med Chem Lett 20: 3961-4 (2010) Article DOI: 10.1016/j.bmcl.2010.04.142 BindingDB Entry DOI: 10.7270/Q2B56KZ9
					More data for this Ligand-Target Pair
C-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50416300 (CHEMBL1171006) Show SMILES OC(=O)c1ccccc1Oc1c(F)cc(cc1NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F Show InChI InChI=1S/C20H12ClF4NO5S/c21-12-5-7-13(8-6-12)32(29,30)26-16-10-11(20(23,24)25)9-15(22)18(16)31-17-4-2-1-3-14(17)19(27)28/h1-10,26H,(H,27,28)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	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 Antagonist activity at human CCR1 assessed as inhibition of MIP-1-alpha-induced [35S]-GTPgammaS binding after 3 to 4 hrs				Bioorg Med Chem Lett 20: 3961-4 (2010) Article DOI: 10.1016/j.bmcl.2010.04.142 BindingDB Entry DOI: 10.7270/Q2B56KZ9
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Mus musculus)	BDBM50416300 (CHEMBL1171006) Show SMILES OC(=O)c1ccccc1Oc1c(F)cc(cc1NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F Show InChI InChI=1S/C20H12ClF4NO5S/c21-12-5-7-13(8-6-12)32(29,30)26-16-10-11(20(23,24)25)9-15(22)18(16)31-17-4-2-1-3-14(17)19(27)28/h1-10,26H,(H,27,28)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	251	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 Antagonist activity at mouse CCR2				Bioorg Med Chem Lett 20: 3961-4 (2010) Article DOI: 10.1016/j.bmcl.2010.04.142 BindingDB Entry DOI: 10.7270/Q2B56KZ9
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50416300 (CHEMBL1171006) Show SMILES OC(=O)c1ccccc1Oc1c(F)cc(cc1NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F Show InChI InChI=1S/C20H12ClF4NO5S/c21-12-5-7-13(8-6-12)32(29,30)26-16-10-11(20(23,24)25)9-15(22)18(16)31-17-4-2-1-3-14(17)19(27)28/h1-10,26H,(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+4	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 Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis in presence of 1% human serum				Bioorg Med Chem Lett 20: 3961-4 (2010) Article DOI: 10.1016/j.bmcl.2010.04.142 BindingDB Entry DOI: 10.7270/Q2B56KZ9
					More data for this Ligand-Target Pair