BDBM50009217 CHEMBL3233184

SMILES: CCS(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O)N(C)C(C)C

InChI Key: InChIKey=VPQJUCNKBPHRCP-FKVLARQCSA-N

Data: 3 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 3 hits for monomerid = 50009217   

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))	BDBM50009217 (CHEMBL3233184) Show SMILES CCS(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C25H36F3N3O4S/c1-5-36(34,35)15-18-14-20(30(4)16(2)3)9-10-22(18)31-12-11-21(24(31)33)29-23(32)17-7-6-8-19(13-17)25(26,27)28/h6-8,13,16,18,20-22H,5,9-12,14-15H2,1-4H3,(H,29,32)/t18-,20+,21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]-labeled human MCP1 from CCR2 in human PBMC				Bioorg Med Chem Lett 24: 1843-5 (2014) Article DOI: 10.1016/j.bmcl.2014.02.013 BindingDB Entry DOI: 10.7270/Q2FQ9Z4P
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50009217 (CHEMBL3233184) Show SMILES CCS(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C25H36F3N3O4S/c1-5-36(34,35)15-18-14-20(30(4)16(2)3)9-10-22(18)31-12-11-21(24(31)33)29-23(32)17-7-6-8-19(13-17)25(26,27)28/h6-8,13,16,18,20-22H,5,9-12,14-15H2,1-4H3,(H,29,32)/t18-,20+,21-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at CCR2 in human monocytes assessed as reduction of chemotaxis in presence of 0.1 M BSA				Bioorg Med Chem Lett 24: 1843-5 (2014) Article DOI: 10.1016/j.bmcl.2014.02.013 BindingDB Entry DOI: 10.7270/Q2FQ9Z4P
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50009217 (CHEMBL3233184) Show SMILES CCS(=O)(=O)C[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C25H36F3N3O4S/c1-5-36(34,35)15-18-14-20(30(4)16(2)3)9-10-22(18)31-12-11-21(24(31)33)29-23(32)17-7-6-8-19(13-17)25(26,27)28/h6-8,13,16,18,20-22H,5,9-12,14-15H2,1-4H3,(H,29,32)/t18-,20+,21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human ERG by FLIPR assay				Bioorg Med Chem Lett 24: 1843-5 (2014) Article DOI: 10.1016/j.bmcl.2014.02.013 BindingDB Entry DOI: 10.7270/Q2FQ9Z4P
					More data for this Ligand-Target Pair