Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 531.6 BDBM50089356

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))	BDBM50089356 (CHEMBL3577933) Show SMILES CCC[C@H](O)[C@H](CNCC(C)(C)C)NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F |r| Show InChI InChI=1S/C25H40F3N5O4/c1-7-8-20(34)19(12-29-14-24(4,5)6)32-21(35)13-30-22(36)17-11-16(25(26,27)28)9-10-18(17)33-23(37)31-15(2)3/h9-11,15,19-20,29,34H,7-8,12-14H2,1-6H3,(H,30,36)(H,32,35)(H2,31,33,37)/t19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<0.450	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 2 (Homo sapiens (Human))	BDBM50089356 (CHEMBL3577933) Show SMILES CCC[C@H](O)[C@H](CNCC(C)(C)C)NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F |r| Show InChI InChI=1S/C25H40F3N5O4/c1-7-8-20(34)19(12-29-14-24(4,5)6)32-21(35)13-30-22(36)17-11-16(25(26,27)28)9-10-18(17)33-23(37)31-15(2)3/h9-11,15,19-20,29,34H,7-8,12-14H2,1-6H3,(H,30,36)(H,32,35)(H2,31,33,37)/t19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	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 5 (Homo sapiens (Human))	BDBM50089356 (CHEMBL3577933) Show SMILES CCC[C@H](O)[C@H](CNCC(C)(C)C)NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F |r| Show InChI InChI=1S/C25H40F3N5O4/c1-7-8-20(34)19(12-29-14-24(4,5)6)32-21(35)13-30-22(36)17-11-16(25(26,27)28)9-10-18(17)33-23(37)31-15(2)3/h9-11,15,19-20,29,34H,7-8,12-14H2,1-6H3,(H,30,36)(H,32,35)(H2,31,33,37)/t19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	321	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