Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 477.5 BDBM50089364

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50089364 (CHEMBL3577946) Show SMILES CC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C25H34F3N5O/c1-5-16-12-18(32(4)15(2)3)7-9-22(16)33-11-10-21(24(33)34)31-23-19-13-17(25(26,27)28)6-8-20(19)29-14-30-23/h6,8,13-16,18,21-22H,5,7,9-12H2,1-4H3,(H,29,30,31)/t16-,18-,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	25
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of [125I]hMCP1 binding to CCR2 in human PBMC incubated for 30 mins at room temperature				ACS Med Chem Lett 6: 439-44 (2015) Article DOI: 10.1021/ml500505q BindingDB Entry DOI: 10.7270/Q2668FWM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50089364 (CHEMBL3577946) Show SMILES CC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C25H34F3N5O/c1-5-16-12-18(32(4)15(2)3)7-9-22(16)33-11-10-21(24(33)34)31-23-19-13-17(25(26,27)28)6-8-20(19)29-14-30-23/h6,8,13-16,18,21-22H,5,7,9-12H2,1-4H3,(H,29,30,31)/t16-,18-,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity against CCR2 in human PBMC assessed as inhibition of MCP1-induced chemotaxis at 37 degC				ACS Med Chem Lett 6: 439-44 (2015) Article DOI: 10.1021/ml500505q BindingDB Entry DOI: 10.7270/Q2668FWM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50089364 (CHEMBL3577946) Show SMILES CC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)N(C)C(C)C |r| Show InChI InChI=1S/C25H34F3N5O/c1-5-16-12-18(32(4)15(2)3)7-9-22(16)33-11-10-21(24(33)34)31-23-19-13-17(25(26,27)28)6-8-20(19)29-14-30-23/h6,8,13-16,18,21-22H,5,7,9-12H2,1-4H3,(H,29,30,31)/t16-,18-,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of [125I]MCP1-beta binding to CCR5 in human HT1080 cell membranes incubated for 4 to 6 hrs				ACS Med Chem Lett 6: 439-44 (2015) Article DOI: 10.1021/ml500505q BindingDB Entry DOI: 10.7270/Q2668FWM
					More data for this Ligand-Target Pair