Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50359124'   

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))	BDBM50359124 (CHEMBL1922792) Show SMILES ONC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(38.98,-38.1,;40.32,-37.33,;41.65,-38.11,;42.99,-37.34,;41.65,-39.65,;40.31,-40.41,;40.31,-41.95,;38.97,-42.72,;38.97,-44.25,;40.3,-45.03,;41.63,-44.26,;41.64,-42.71,;40.29,-46.57,;39.05,-47.48,;39.53,-48.94,;41.06,-48.93,;42.09,-50.07,;43.6,-49.75,;44.07,-48.28,;43.04,-47.14,;41.54,-47.47,;42.98,-40.42,;42.96,-41.96,;44.29,-42.74,;45.63,-41.98,;45.64,-40.44,;44.3,-39.65,;46.96,-42.76,;46.95,-44.3,;48.29,-41.99,;49.62,-42.77,;50.96,-42.01,;50.96,-40.48,;52.3,-39.72,;52.3,-38.18,;53.63,-40.5,;54.97,-39.73,;53.62,-42.04,;54.95,-42.82,;52.28,-42.8,)| Show InChI InChI=1S/C30H33F3N4O3/c31-24-15-18(16-25(32)28(24)33)5-10-27(38)37-13-11-20(12-14-37)29(30(39)36-40)35-21-8-6-19(7-9-21)23-17-34-26-4-2-1-3-22(23)26/h1-5,10,15-17,19-21,29,34-35,40H,6-9,11-14H2,(H,36,39)/b10-5+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	665	n/a	n/a	n/a	n/a	n/a	37
Janssen Pharmaceutica NV US Patent					Assay Description MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,...				US Patent US8921559 (2014) BindingDB Entry DOI: 10.7270/Q270804M
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50359124 (CHEMBL1922792) Show SMILES ONC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1 |(38.98,-38.1,;40.32,-37.33,;41.65,-38.11,;42.99,-37.34,;41.65,-39.65,;40.31,-40.41,;40.31,-41.95,;38.97,-42.72,;38.97,-44.25,;40.3,-45.03,;41.63,-44.26,;41.64,-42.71,;40.29,-46.57,;39.05,-47.48,;39.53,-48.94,;41.06,-48.93,;42.09,-50.07,;43.6,-49.75,;44.07,-48.28,;43.04,-47.14,;41.54,-47.47,;42.98,-40.42,;42.96,-41.96,;44.29,-42.74,;45.63,-41.98,;45.64,-40.44,;44.3,-39.65,;46.96,-42.76,;46.95,-44.3,;48.29,-41.99,;49.62,-42.77,;50.96,-42.01,;50.96,-40.48,;52.3,-39.72,;52.3,-38.18,;53.63,-40.5,;54.97,-39.73,;53.62,-42.04,;54.95,-42.82,;52.28,-42.8,)| Show InChI InChI=1S/C30H33F3N4O3/c31-24-15-18(16-25(32)28(24)33)5-10-27(38)37-13-11-20(12-14-37)29(30(39)36-40)35-21-8-6-19(7-9-21)23-17-34-26-4-2-1-3-22(23)26/h1-5,10,15-17,19-21,29,34-35,40H,6-9,11-14H2,(H,36,39)/b10-5+	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human CCR2				Bioorg Med Chem Lett 21: 7496-501 (2011) Article DOI: 10.1016/j.bmcl.2011.09.113 BindingDB Entry DOI: 10.7270/Q22J6C9M
					More data for this Ligand-Target Pair