Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 2' and Ligand = 'BDBM50236430'   

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))	BDBM50236430 ((R)-N-(2-(1-(4-chlorobenzyl)pyrrolidin-3-ylamino)-...) Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C21H21ClF3N3O2/c22-17-6-4-14(5-7-17)12-28-9-8-18(13-28)27-19(29)11-26-20(30)15-2-1-3-16(10-15)21(23,24)25/h1-7,10,18H,8-9,11-13H2,(H,26,30)(H,27,29)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 in THP1 cells assessed as inhibition of MCP1-induced chemotaxis				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50236430 ((R)-N-(2-(1-(4-chlorobenzyl)pyrrolidin-3-ylamino)-...) Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C21H21ClF3N3O2/c22-17-6-4-14(5-7-17)12-28-9-8-18(13-28)27-19(29)11-26-20(30)15-2-1-3-16(10-15)21(23,24)25/h1-7,10,18H,8-9,11-13H2,(H,26,30)(H,27,29)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit [125I]-MCP-1 binding to Chemokine receptor 2B				Bioorg Med Chem Lett 14: 5413-6 (2004) Article DOI: 10.1016/j.bmcl.2004.08.009 BindingDB Entry DOI: 10.7270/Q2W958PZ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50236430 ((R)-N-(2-(1-(4-chlorobenzyl)pyrrolidin-3-ylamino)-...) Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C21H21ClF3N3O2/c22-17-6-4-14(5-7-17)12-28-9-8-18(13-28)27-19(29)11-26-20(30)15-2-1-3-16(10-15)21(23,24)25/h1-7,10,18H,8-9,11-13H2,(H,26,30)(H,27,29)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Deltagen Research Laboratories (Former CombiChem, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from human CCR2b in THP1 cells				Bioorg Med Chem Lett 18: 1869-73 (2008) Article DOI: 10.1016/j.bmcl.2008.02.015 BindingDB Entry DOI: 10.7270/Q2W95B2Q
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50236430 ((R)-N-(2-(1-(4-chlorobenzyl)pyrrolidin-3-ylamino)-...) Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C21H21ClF3N3O2/c22-17-6-4-14(5-7-17)12-28-9-8-18(13-28)27-19(29)11-26-20(30)15-2-1-3-16(10-15)21(23,24)25/h1-7,10,18H,8-9,11-13H2,(H,26,30)(H,27,29)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
Yangji Chemicals Curated by ChEMBL					Assay Description Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of MCP1-induced chemotaxis after 1 hr by crystal violet staining				Bioorg Med Chem Lett 20: 2099-102 (2010) Article DOI: 10.1016/j.bmcl.2010.02.072 BindingDB Entry DOI: 10.7270/Q2JQ1169
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50236430 ((R)-N-(2-(1-(4-chlorobenzyl)pyrrolidin-3-ylamino)-...) Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C21H21ClF3N3O2/c22-17-6-4-14(5-7-17)12-28-9-8-18(13-28)27-19(29)11-26-20(30)15-2-1-3-16(10-15)21(23,24)25/h1-7,10,18H,8-9,11-13H2,(H,26,30)(H,27,29)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Yangji Chemicals Curated by ChEMBL					Assay Description Antagonist activity at human CCR2B receptor expressed in HEK293 cells assessed as inhibition of MCP1-induced increase in intracellular calcium level				Bioorg Med Chem Lett 20: 2099-102 (2010) Article DOI: 10.1016/j.bmcl.2010.02.072 BindingDB Entry DOI: 10.7270/Q2JQ1169
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50236430 ((R)-N-(2-(1-(4-chlorobenzyl)pyrrolidin-3-ylamino)-...) Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C21H21ClF3N3O2/c22-17-6-4-14(5-7-17)12-28-9-8-18(13-28)27-19(29)11-26-20(30)15-2-1-3-16(10-15)21(23,24)25/h1-7,10,18H,8-9,11-13H2,(H,26,30)(H,27,29)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yangji Chemicals Curated by ChEMBL					Assay Description Displacement of [125I]MCP1 from human CCR2B receptor expressed in HEK293-EBNA cells				Bioorg Med Chem Lett 20: 2099-102 (2010) Article DOI: 10.1016/j.bmcl.2010.02.072 BindingDB Entry DOI: 10.7270/Q2JQ1169
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50236430 ((R)-N-(2-(1-(4-chlorobenzyl)pyrrolidin-3-ylamino)-...) Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C21H21ClF3N3O2/c22-17-6-4-14(5-7-17)12-28-9-8-18(13-28)27-19(29)11-26-20(30)15-2-1-3-16(10-15)21(23,24)25/h1-7,10,18H,8-9,11-13H2,(H,26,30)(H,27,29)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Deltagen Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MCP-1 induced chemotaxis in THP-1 cells				Bioorg Med Chem Lett 14: 5413-6 (2004) Article DOI: 10.1016/j.bmcl.2004.08.009 BindingDB Entry DOI: 10.7270/Q2W958PZ
					More data for this Ligand-Target Pair