BDBM50219842 (S)-N-(2-(3-(4-bromo-2-methylbenzylamino)-1-(tert-butylamino)-1-oxopropan-2-ylamino)-2-oxoethyl)-2-amino-3-(trifluoromethyl)benzamide::CHEMBL246804

SMILES: Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(c1N)C(F)(F)F)C(=O)NC(C)(C)C

InChI Key: InChIKey=FQVOQFDNIZIQOT-IBGZPJMESA-N

Data: 4 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 4 hits for monomerid = 50219842   

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))	BDBM50219842 ((S)-N-(2-(3-(4-bromo-2-methylbenzylamino)-1-(tert-...) Show SMILES Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(c1N)C(F)(F)F)C(=O)NC(C)(C)C Show InChI InChI=1S/C25H31BrF3N5O3/c1-14-10-16(26)9-8-15(14)11-31-12-19(23(37)34-24(2,3)4)33-20(35)13-32-22(36)17-6-5-7-18(21(17)30)25(27,28)29/h5-10,19,31H,11-13,30H2,1-4H3,(H,32,36)(H,33,35)(H,34,37)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	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 PBMCs assessed as inhibition of MCP1-induced chemotaxis				Bioorg Med Chem Lett 17: 5455-61 (2007) Article DOI: 10.1016/j.bmcl.2007.07.028 BindingDB Entry DOI: 10.7270/Q29Z94NN
					More data for this Ligand-Target Pair
C-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50219842 ((S)-N-(2-(3-(4-bromo-2-methylbenzylamino)-1-(tert-...) Show SMILES Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(c1N)C(F)(F)F)C(=O)NC(C)(C)C Show InChI InChI=1S/C25H31BrF3N5O3/c1-14-10-16(26)9-8-15(14)11-31-12-19(23(37)34-24(2,3)4)33-20(35)13-32-22(36)17-6-5-7-18(21(17)30)25(27,28)29/h5-10,19,31H,11-13,30H2,1-4H3,(H,32,36)(H,33,35)(H,34,37)/t19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125I]Eotaxin from human CCR3 expressed in CHO cells				Bioorg Med Chem Lett 17: 5455-61 (2007) Article DOI: 10.1016/j.bmcl.2007.07.028 BindingDB Entry DOI: 10.7270/Q29Z94NN
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50219842 ((S)-N-(2-(3-(4-bromo-2-methylbenzylamino)-1-(tert-...) Show SMILES Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(c1N)C(F)(F)F)C(=O)NC(C)(C)C Show InChI InChI=1S/C25H31BrF3N5O3/c1-14-10-16(26)9-8-15(14)11-31-12-19(23(37)34-24(2,3)4)33-20(35)13-32-22(36)17-6-5-7-18(21(17)30)25(27,28)29/h5-10,19,31H,11-13,30H2,1-4H3,(H,32,36)(H,33,35)(H,34,37)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	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 THP1 cells assessed as inhibition of MCP1-induced Ca2+ flux				Bioorg Med Chem Lett 17: 5455-61 (2007) Article DOI: 10.1016/j.bmcl.2007.07.028 BindingDB Entry DOI: 10.7270/Q29Z94NN
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50219842 ((S)-N-(2-(3-(4-bromo-2-methylbenzylamino)-1-(tert-...) Show SMILES Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(c1N)C(F)(F)F)C(=O)NC(C)(C)C Show InChI InChI=1S/C25H31BrF3N5O3/c1-14-10-16(26)9-8-15(14)11-31-12-19(23(37)34-24(2,3)4)33-20(35)13-32-22(36)17-6-5-7-18(21(17)30)25(27,28)29/h5-10,19,31H,11-13,30H2,1-4H3,(H,32,36)(H,33,35)(H,34,37)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [125]MCP1 from CCR2 in human PBMCs				Bioorg Med Chem Lett 17: 5455-61 (2007) Article DOI: 10.1016/j.bmcl.2007.07.028 BindingDB Entry DOI: 10.7270/Q29Z94NN
					More data for this Ligand-Target Pair