Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50034218   

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))	BDBM50359024 (CHEMBL1924004) Show SMILES Clc1cnc(Oc2ccc(cc2)C(=O)NCCN2CCCCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C25H25Cl3N4O4S/c26-18-14-23(31-37(34,35)20-8-9-21(27)22(28)15-20)25(30-16-18)36-19-6-4-17(5-7-19)24(33)29-10-13-32-11-2-1-3-12-32/h4-9,14-16,31H,1-3,10-13H2,(H,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...				Bioorg Med Chem Lett 21: 7291-4 (2011) Article DOI: 10.1016/j.bmcl.2011.10.038 BindingDB Entry DOI: 10.7270/Q2KK9C6D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50359033 (CHEMBL1924012) Show SMILES Clc1ccc(Oc2ccc(cc2)C(=O)NCCN2CCCCC2)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C26H26Cl3N3O4S/c27-19-6-11-25(24(16-19)31-37(34,35)21-9-10-22(28)23(29)17-21)36-20-7-4-18(5-8-20)26(33)30-12-15-32-13-2-1-3-14-32/h4-11,16-17,31H,1-3,12-15H2,(H,30,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...				Bioorg Med Chem Lett 21: 7291-4 (2011) Article DOI: 10.1016/j.bmcl.2011.10.038 BindingDB Entry DOI: 10.7270/Q2KK9C6D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50359013 (CHEMBL1924014) Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)cnc1Oc1ccc(cc1)C(=O)NCCN1CCCCC1 Show InChI InChI=1S/C26H25Cl2F3N4O4S/c27-18-14-23(34-40(37,38)20-8-9-22(28)21(15-20)26(29,30)31)25(33-16-18)39-19-6-4-17(5-7-19)24(36)32-10-13-35-11-2-1-3-12-35/h4-9,14-16,34H,1-3,10-13H2,(H,32,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...				Bioorg Med Chem Lett 21: 7291-4 (2011) Article DOI: 10.1016/j.bmcl.2011.10.038 BindingDB Entry DOI: 10.7270/Q2KK9C6D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50359014 (CHEMBL1924015) Show SMILES Cc1cc(Oc2ccc(cc2)C(=O)NCCN2CCCCC2)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)cc1Cl Show InChI InChI=1S/C28H28Cl2F3N3O4S/c1-18-15-26(40-20-7-5-19(6-8-20)27(37)34-11-14-36-12-3-2-4-13-36)25(17-24(18)30)35-41(38,39)21-9-10-23(29)22(16-21)28(31,32)33/h5-10,15-17,35H,2-4,11-14H2,1H3,(H,34,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...				Bioorg Med Chem Lett 21: 7291-4 (2011) Article DOI: 10.1016/j.bmcl.2011.10.038 BindingDB Entry DOI: 10.7270/Q2KK9C6D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50359015 (CHEMBL1924016) Show SMILES COc1cc(Oc2ccc(cc2)C(=O)NCCN2CCCCC2)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)cc1Cl Show InChI InChI=1S/C28H28Cl2F3N3O5S/c1-40-25-17-26(41-19-7-5-18(6-8-19)27(37)34-11-14-36-12-3-2-4-13-36)24(16-23(25)30)35-42(38,39)20-9-10-22(29)21(15-20)28(31,32)33/h5-10,15-17,35H,2-4,11-14H2,1H3,(H,34,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...				Bioorg Med Chem Lett 21: 7291-4 (2011) Article DOI: 10.1016/j.bmcl.2011.10.038 BindingDB Entry DOI: 10.7270/Q2KK9C6D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50359016 (CHEMBL1924017) Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCN1CCCC1 Show InChI InChI=1S/C26H24Cl2F3N3O4S/c27-18-5-10-24(23(15-18)33-39(36,37)20-8-9-22(28)21(16-20)26(29,30)31)38-19-6-3-17(4-7-19)25(35)32-11-14-34-12-1-2-13-34/h3-10,15-16,33H,1-2,11-14H2,(H,32,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...				Bioorg Med Chem Lett 21: 7291-4 (2011) Article DOI: 10.1016/j.bmcl.2011.10.038 BindingDB Entry DOI: 10.7270/Q2KK9C6D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50359017 (CHEMBL1924018) Show SMILES Cc1cc(Oc2ccc(cc2)C(=O)NCCN2CCCC2)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)cc1Cl Show InChI InChI=1S/C27H26Cl2F3N3O4S/c1-17-14-25(39-19-6-4-18(5-7-19)26(36)33-10-13-35-11-2-3-12-35)24(16-23(17)29)34-40(37,38)20-8-9-22(28)21(15-20)27(30,31)32/h4-9,14-16,34H,2-3,10-13H2,1H3,(H,33,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...				Bioorg Med Chem Lett 21: 7291-4 (2011) Article DOI: 10.1016/j.bmcl.2011.10.038 BindingDB Entry DOI: 10.7270/Q2KK9C6D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50359020 (CHEMBL1924021) Show SMILES Cc1cc(ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)C(=O)NCCN1CCCCC1 Show InChI InChI=1S/C28H28Cl2F3N3O4S/c1-18-15-19(27(37)34-11-14-36-12-3-2-4-13-36)5-9-25(18)40-26-10-6-20(29)16-24(26)35-41(38,39)21-7-8-23(30)22(17-21)28(31,32)33/h5-10,15-17,35H,2-4,11-14H2,1H3,(H,34,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...				Bioorg Med Chem Lett 21: 7291-4 (2011) Article DOI: 10.1016/j.bmcl.2011.10.038 BindingDB Entry DOI: 10.7270/Q2KK9C6D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50359021 (CHEMBL1924022) Show SMILES COc1cc(ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)C(=O)NCCN1CCCCC1 Show InChI InChI=1S/C28H28Cl2F3N3O5S/c1-40-26-15-18(27(37)34-11-14-36-12-3-2-4-13-36)5-9-25(26)41-24-10-6-19(29)16-23(24)35-42(38,39)20-7-8-22(30)21(17-20)28(31,32)33/h5-10,15-17,35H,2-4,11-14H2,1H3,(H,34,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...				Bioorg Med Chem Lett 21: 7291-4 (2011) Article DOI: 10.1016/j.bmcl.2011.10.038 BindingDB Entry DOI: 10.7270/Q2KK9C6D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50359022 (CHEMBL1924023) Show SMILES Cc1cc(ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)C(=O)NCCN1CCCC1 Show InChI InChI=1S/C27H26Cl2F3N3O4S/c1-17-14-18(26(36)33-10-13-35-11-2-3-12-35)4-8-24(17)39-25-9-5-19(28)15-23(25)34-40(37,38)20-6-7-22(29)21(16-20)27(30,31)32/h4-9,14-16,34H,2-3,10-13H2,1H3,(H,33,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...				Bioorg Med Chem Lett 21: 7291-4 (2011) Article DOI: 10.1016/j.bmcl.2011.10.038 BindingDB Entry DOI: 10.7270/Q2KK9C6D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50359032 (CHEMBL1924024) Show SMILES COc1cc(ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F)C(=O)NCCN1CCCC1 Show InChI InChI=1S/C27H26Cl2F3N3O5S/c1-39-25-14-17(26(36)33-10-13-35-11-2-3-12-35)4-8-24(25)40-23-9-5-18(28)15-22(23)34-41(37,38)19-6-7-21(29)20(16-19)27(30,31)32/h4-9,14-16,34H,2-3,10-13H2,1H3,(H,33,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...				Bioorg Med Chem Lett 21: 7291-4 (2011) Article DOI: 10.1016/j.bmcl.2011.10.038 BindingDB Entry DOI: 10.7270/Q2KK9C6D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50359018 (CHEMBL1924019) Show SMILES COc1cc(Oc2ccc(cc2)C(=O)NCCN2CCCC2)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)cc1Cl Show InChI InChI=1S/C27H26Cl2F3N3O5S/c1-39-24-16-25(40-18-6-4-17(5-7-18)26(36)33-10-13-35-11-2-3-12-35)23(15-22(24)29)34-41(37,38)19-8-9-21(28)20(14-19)27(30,31)32/h4-9,14-16,34H,2-3,10-13H2,1H3,(H,33,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...				Bioorg Med Chem Lett 21: 7291-4 (2011) Article DOI: 10.1016/j.bmcl.2011.10.038 BindingDB Entry DOI: 10.7270/Q2KK9C6D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50359012 (CHEMBL1924013) Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCN1CCCCC1 Show InChI InChI=1S/C27H26Cl2F3N3O4S/c28-19-6-11-25(24(16-19)34-40(37,38)21-9-10-23(29)22(17-21)27(30,31)32)39-20-7-4-18(5-8-20)26(36)33-12-15-35-13-2-1-3-14-35/h4-11,16-17,34H,1-3,12-15H2,(H,33,36)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...				Bioorg Med Chem Lett 21: 7291-4 (2011) Article DOI: 10.1016/j.bmcl.2011.10.038 BindingDB Entry DOI: 10.7270/Q2KK9C6D
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50359019 (CHEMBL1924020) Show SMILES FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(cc1)C(=O)NCCN1CCC(F)(F)C1 Show InChI InChI=1S/C26H22Cl2F5N3O4S/c27-17-3-8-23(22(13-17)35-41(38,39)19-6-7-21(28)20(14-19)26(31,32)33)40-18-4-1-16(2-5-18)24(37)34-10-12-36-11-9-25(29,30)15-36/h1-8,13-14,35H,9-12,15H2,(H,34,37)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at CCR2 receptor in human whole blood assessed as inhibition of MCP-1 induced monocyte shape change pretreated for 15 mins before...				Bioorg Med Chem Lett 21: 7291-4 (2011) Article DOI: 10.1016/j.bmcl.2011.10.038 BindingDB Entry DOI: 10.7270/Q2KK9C6D
					More data for this Ligand-Target Pair