BDBM50265087 (+/-)-2-amino-N-(2-(4-(4-(methylthio)benzylamino)-1-propylpiperidin-3-ylamino)-2-oxoethyl)-5-(trifluoromethyl)benzamide::CHEMBL497788

SMILES: CCCN1CCC(NCc2ccc(SC)cc2)C(C1)NC(=O)CNC(=O)c1cc(ccc1N)C(F)(F)F

InChI Key: InChIKey=QCBRPSGOJNPXNN-UHFFFAOYSA-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 = 50265087   

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))	BDBM50265087 ((+/-)-2-amino-N-(2-(4-(4-(methylthio)benzylamino)-...) Show SMILES CCCN1CCC(NCc2ccc(SC)cc2)C(C1)NC(=O)CNC(=O)c1cc(ccc1N)C(F)(F)F Show InChI InChI=1S/C26H34F3N5O2S/c1-3-11-34-12-10-22(31-14-17-4-7-19(37-2)8-5-17)23(16-34)33-24(35)15-32-25(36)20-13-18(26(27,28)29)6-9-21(20)30/h4-9,13,22-23,31H,3,10-12,14-16,30H2,1-2H3,(H,32,36)(H,33,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of radiolabeled MCP1 from CCR2 in human PBMC by millipore filter plate assay				Bioorg Med Chem Lett 18: 5063-5 (2008) Article DOI: 10.1016/j.bmcl.2008.07.123 BindingDB Entry DOI: 10.7270/Q23N236S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50265087 ((+/-)-2-amino-N-(2-(4-(4-(methylthio)benzylamino)-...) Show SMILES CCCN1CCC(NCc2ccc(SC)cc2)C(C1)NC(=O)CNC(=O)c1cc(ccc1N)C(F)(F)F Show InChI InChI=1S/C26H34F3N5O2S/c1-3-11-34-12-10-22(31-14-17-4-7-19(37-2)8-5-17)23(16-34)33-24(35)15-32-25(36)20-13-18(26(27,28)29)6-9-21(20)30/h4-9,13,22-23,31H,3,10-12,14-16,30H2,1-2H3,(H,32,36)(H,33,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	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 PBMC assessed as MCP1-induced chemotaxis				Bioorg Med Chem Lett 18: 5063-5 (2008) Article DOI: 10.1016/j.bmcl.2008.07.123 BindingDB Entry DOI: 10.7270/Q23N236S
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50265087 ((+/-)-2-amino-N-(2-(4-(4-(methylthio)benzylamino)-...) Show SMILES CCCN1CCC(NCc2ccc(SC)cc2)C(C1)NC(=O)CNC(=O)c1cc(ccc1N)C(F)(F)F Show InChI InChI=1S/C26H34F3N5O2S/c1-3-11-34-12-10-22(31-14-17-4-7-19(37-2)8-5-17)23(16-34)33-24(35)15-32-25(36)20-13-18(26(27,28)29)6-9-21(20)30/h4-9,13,22-23,31H,3,10-12,14-16,30H2,1-2H3,(H,32,36)(H,33,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	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 PBMC assessed as MCP1-induced calcium flux by fluorescence-imaging plate assay				Bioorg Med Chem Lett 18: 5063-5 (2008) Article DOI: 10.1016/j.bmcl.2008.07.123 BindingDB Entry DOI: 10.7270/Q23N236S
					More data for this Ligand-Target Pair