BDBM50255171 (+/-)-2-amino-N-(2-(5-(isopropylamino)-2-(4-(methylthio)benzamido)cyclohexylamino)-2-oxoethyl)-5-(trifluoromethyl)benzamide::CHEMBL516224

SMILES: CSc1ccc(cc1)C(=O)NC1CCC(CC1NC(=O)CNC(=O)c1cc(ccc1N)C(F)(F)F)NC(C)C

InChI Key: InChIKey=HTGCOGKGWKXISK-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 = 50255171   

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))	BDBM50255171 ((+/-)-2-amino-N-(2-(5-(isopropylamino)-2-(4-(methy...) Show SMILES CSc1ccc(cc1)C(=O)NC1CCC(CC1NC(=O)CNC(=O)c1cc(ccc1N)C(F)(F)F)NC(C)C Show InChI InChI=1S/C27H34F3N5O3S/c1-15(2)33-18-7-11-22(35-25(37)16-4-8-19(39-3)9-5-16)23(13-18)34-24(36)14-32-26(38)20-12-17(27(28,29)30)6-10-21(20)31/h4-6,8-10,12,15,18,22-23,33H,7,11,13-14,31H2,1-3H3,(H,32,38)(H,34,36)(H,35,37)	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 monocytes assessed as inhibition of MCP1-induced calcium influx by FLIPR				Bioorg Med Chem Lett 19: 597-601 (2009) Article DOI: 10.1016/j.bmcl.2008.12.062 BindingDB Entry DOI: 10.7270/Q2QF8SR1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50255171 ((+/-)-2-amino-N-(2-(5-(isopropylamino)-2-(4-(methy...) Show SMILES CSc1ccc(cc1)C(=O)NC1CCC(CC1NC(=O)CNC(=O)c1cc(ccc1N)C(F)(F)F)NC(C)C Show InChI InChI=1S/C27H34F3N5O3S/c1-15(2)33-18-7-11-22(35-25(37)16-4-8-19(39-3)9-5-16)23(13-18)34-24(36)14-32-26(38)20-12-17(27(28,29)30)6-10-21(20)31/h4-6,8-10,12,15,18,22-23,33H,7,11,13-14,31H2,1-3H3,(H,32,38)(H,34,36)(H,35,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from CCR2 in human PBMCs				Bioorg Med Chem Lett 19: 597-601 (2009) Article DOI: 10.1016/j.bmcl.2008.12.062 BindingDB Entry DOI: 10.7270/Q2QF8SR1
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50255171 ((+/-)-2-amino-N-(2-(5-(isopropylamino)-2-(4-(methy...) Show SMILES CSc1ccc(cc1)C(=O)NC1CCC(CC1NC(=O)CNC(=O)c1cc(ccc1N)C(F)(F)F)NC(C)C Show InChI InChI=1S/C27H34F3N5O3S/c1-15(2)33-18-7-11-22(35-25(37)16-4-8-19(39-3)9-5-16)23(13-18)34-24(36)14-32-26(38)20-12-17(27(28,29)30)6-10-21(20)31/h4-6,8-10,12,15,18,22-23,33H,7,11,13-14,31H2,1-3H3,(H,32,38)(H,34,36)(H,35,37)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27.2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of CCR3 (unknown origin) at 10 uM				Bioorg Med Chem Lett 19: 597-601 (2009) Article DOI: 10.1016/j.bmcl.2008.12.062 BindingDB Entry DOI: 10.7270/Q2QF8SR1
					More data for this Ligand-Target Pair