Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   

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   (73/82 = 89%)† (Homo sapiens (Human))	BDBM50089354 (CHEMBL3577945) Show SMILES CCC[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/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.240	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				3D Structure (crystal)
C-C chemokine receptor type 2   (73/82 = 89%)† (Homo sapiens (Human))	BDBM50089354 (CHEMBL3577945) Show SMILES CCC[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/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.700	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				3D Structure (crystal)
C-C chemokine receptor type 2   (73/82 = 89%)† (Homo sapiens (Human))	BDBM50089354 (CHEMBL3577945) Show SMILES CCC[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/C26H36F3N5O/c1-5-6-17-13-19(33(4)16(2)3)8-10-23(17)34-12-11-22(25(34)35)32-24-20-14-18(26(27,28)29)7-9-21(20)30-15-31-24/h7,9,14-17,19,22-23H,5-6,8,10-13H2,1-4H3,(H,30,31,32)/t17-,19-,22+,23+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.70	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 whole blood (unknown origin) assessed as reduction in CD11b upregulation				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				3D Structure (crystal)

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