BDBM50391024 CHEMBL2088389

SMILES: CCN(C(C)C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CCC(C1=O)c1nc2cccc(c2[nH]1)C(F)(F)F

InChI Key: InChIKey=PWPZLEJFRYZEQC-GHLWETIGSA-N

Data: 2 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 2 hits for monomerid = 50391024   

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))	BDBM50391024 (CHEMBL2088389) Show SMILES CCN(C(C)C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CCC(C1=O)c1nc2cccc(c2[nH]1)C(F)(F)F |r| Show InChI InChI=1S/C30H37F3N4O3S/c1-4-36(19(2)3)21-13-14-26(20(17-21)18-41(39,40)22-9-6-5-7-10-22)37-16-15-23(29(37)38)28-34-25-12-8-11-24(27(25)35-28)30(31,32)33/h5-12,19-21,23,26H,4,13-18H2,1-3H3,(H,34,35)/t20-,21+,23?,26-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	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 by chemotaxis assay in presence of 0.5% bovine serum albumin				Bioorg Med Chem Lett 22: 6181-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.002 BindingDB Entry DOI: 10.7270/Q2F47Q62
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50391024 (CHEMBL2088389) Show SMILES CCN(C(C)C)[C@@H]1CC[C@@H]([C@H](CS(=O)(=O)c2ccccc2)C1)N1CCC(C1=O)c1nc2cccc(c2[nH]1)C(F)(F)F |r| Show InChI InChI=1S/C30H37F3N4O3S/c1-4-36(19(2)3)21-13-14-26(20(17-21)18-41(39,40)22-9-6-5-7-10-22)37-16-15-23(29(37)38)28-34-25-12-8-11-24(27(25)35-28)30(31,32)33/h5-12,19-21,23,26H,4,13-18H2,1-3H3,(H,34,35)/t20-,21+,23?,26-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to CCR2				Bioorg Med Chem Lett 22: 6181-4 (2012) Article DOI: 10.1016/j.bmcl.2012.08.002 BindingDB Entry DOI: 10.7270/Q2F47Q62
					More data for this Ligand-Target Pair