Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50018673   

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))	BDBM50197982 (3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...) Show SMILES CCN(CC)CCCC(NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1)C(C)C |w:8.8| Show InChI InChI=1S/C33H40Cl2N4O2/c1-5-38(6-2)16-9-12-30(23(3)4)36-32(40)15-17-41-33-22-31(26-18-27(34)21-28(35)19-26)37-39(33)29-14-13-24-10-7-8-11-25(24)20-29/h7-8,10-11,13-14,18-23,30H,5-6,9,12,15-17H2,1-4H3,(H,36,40)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity against human CCR2 receptor assessed as inhibition of MCP1-induced migration of human peripheral blood monocytes				Bioorg Med Chem Lett 17: 807-13 (2007) Article DOI: 10.1016/j.bmcl.2006.10.060 BindingDB Entry DOI: 10.7270/Q2P84BJD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50197988 (3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...) Show SMILES CCN(CC)CCCC(C)NC(=O)CCNc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:8.8| Show InChI InChI=1S/C31H37Cl2N5O/c1-4-37(5-2)16-8-9-22(3)35-31(39)14-15-34-30-21-29(25-17-26(32)20-27(33)18-25)36-38(30)28-13-12-23-10-6-7-11-24(23)19-28/h6-7,10-13,17-22,34H,4-5,8-9,14-16H2,1-3H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity against human CCR2 receptor assessed as inhibition of MCP1-induced migration of human peripheral blood monocytes				Bioorg Med Chem Lett 17: 807-13 (2007) Article DOI: 10.1016/j.bmcl.2006.10.060 BindingDB Entry DOI: 10.7270/Q2P84BJD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50197984 ((S)-2-{3-[5-(3,5-dichloro-phenyl)-2-naphthalen-2-y...) Show SMILES [#6]-[#8]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#7]-c1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C29H31Cl2N7O3/c1-41-28(40)24(7-4-11-35-29(32)33)36-27(39)10-12-34-26-17-25(20-13-21(30)16-22(31)14-20)37-38(26)23-9-8-18-5-2-3-6-19(18)15-23/h2-3,5-6,8-9,13-17,24,34H,4,7,10-12H2,1H3,(H,36,39)(H4,32,33,35)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity against human CCR2 receptor assessed as inhibition of MCP1-induced migration of human peripheral blood monocytes				Bioorg Med Chem Lett 17: 807-13 (2007) Article DOI: 10.1016/j.bmcl.2006.10.060 BindingDB Entry DOI: 10.7270/Q2P84BJD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50197996 (3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...) Show SMILES CCC(CCCN(CC)CC)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:2.10| Show InChI InChI=1S/C32H38Cl2N4O2/c1-4-28(12-9-16-37(5-2)6-3)35-31(39)15-17-40-32-22-30(25-18-26(33)21-27(34)19-25)36-38(32)29-14-13-23-10-7-8-11-24(23)20-29/h7-8,10-11,13-14,18-22,28H,4-6,9,12,15-17H2,1-3H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity against human CCR2 receptor assessed as inhibition of MCP1-induced migration of human peripheral blood monocytes				Bioorg Med Chem Lett 17: 807-13 (2007) Article DOI: 10.1016/j.bmcl.2006.10.060 BindingDB Entry DOI: 10.7270/Q2P84BJD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50197993 ((S)-2-{3-[5-(3,5-dichloro-phenyl)-2-naphthalen-2-y...) Show SMILES [#6]-[#8]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#8]-c1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C29H30Cl2N6O4/c1-40-28(39)24(7-4-11-34-29(32)33)35-26(38)10-12-41-27-17-25(20-13-21(30)16-22(31)14-20)36-37(27)23-9-8-18-5-2-3-6-19(18)15-23/h2-3,5-6,8-9,13-17,24H,4,7,10-12H2,1H3,(H,35,38)(H4,32,33,34)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity against human CCR2 receptor assessed as inhibition of MCP1-induced migration of human peripheral blood monocytes				Bioorg Med Chem Lett 17: 807-13 (2007) Article DOI: 10.1016/j.bmcl.2006.10.060 BindingDB Entry DOI: 10.7270/Q2P84BJD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50197978 (3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...) Show SMILES CCCC(CCCN(CC)CC)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:3.11| Show InChI InChI=1S/C33H40Cl2N4O2/c1-4-10-29(13-9-17-38(5-2)6-3)36-32(40)16-18-41-33-23-31(26-19-27(34)22-28(35)20-26)37-39(33)30-15-14-24-11-7-8-12-25(24)21-30/h7-8,11-12,14-15,19-23,29H,4-6,9-10,13,16-18H2,1-3H3,(H,36,40)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	154	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity against human CCR2 receptor assessed as inhibition of MCP1-induced migration of human peripheral blood monocytes				Bioorg Med Chem Lett 17: 807-13 (2007) Article DOI: 10.1016/j.bmcl.2006.10.060 BindingDB Entry DOI: 10.7270/Q2P84BJD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50197999 (3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...) Show SMILES CCN(CC)CCCC(CC(C)C)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:8.12| Show InChI InChI=1S/C34H42Cl2N4O2/c1-5-39(6-2)16-9-12-30(18-24(3)4)37-33(41)15-17-42-34-23-32(27-19-28(35)22-29(36)20-27)38-40(34)31-14-13-25-10-7-8-11-26(25)21-31/h7-8,10-11,13-14,19-24,30H,5-6,9,12,15-18H2,1-4H3,(H,37,41)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity against human CCR2 receptor assessed as inhibition of MCP1-induced migration of human peripheral blood monocytes				Bioorg Med Chem Lett 17: 807-13 (2007) Article DOI: 10.1016/j.bmcl.2006.10.060 BindingDB Entry DOI: 10.7270/Q2P84BJD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50197995 ((S)-2-{4-[5-(3,5-dichloro-phenyl)-2-naphthalen-2-y...) Show SMILES [#6]-[#8]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-c1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C30H32Cl2N6O3/c1-41-29(40)26(9-5-13-35-30(33)34)36-28(39)10-4-8-24-18-27(21-14-22(31)17-23(32)15-21)37-38(24)25-12-11-19-6-2-3-7-20(19)16-25/h2-3,6-7,11-12,14-18,26H,4-5,8-10,13H2,1H3,(H,36,39)(H4,33,34,35)/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	185	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity against human CCR2 receptor assessed as inhibition of MCP1-induced migration of human peripheral blood monocytes				Bioorg Med Chem Lett 17: 807-13 (2007) Article DOI: 10.1016/j.bmcl.2006.10.060 BindingDB Entry DOI: 10.7270/Q2P84BJD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50197980 (4-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...) Show SMILES CCN(CC)CCCC(C)NC(=O)CCCc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:8.8| Show InChI InChI=1S/C32H38Cl2N4O/c1-4-37(5-2)17-9-10-23(3)35-32(39)14-8-13-29-22-31(26-18-27(33)21-28(34)19-26)36-38(29)30-16-15-24-11-6-7-12-25(24)20-30/h6-7,11-12,15-16,18-23H,4-5,8-10,13-14,17H2,1-3H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	209	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity against human CCR2 receptor assessed as inhibition of MCP1-induced migration of human peripheral blood monocytes				Bioorg Med Chem Lett 17: 807-13 (2007) Article DOI: 10.1016/j.bmcl.2006.10.060 BindingDB Entry DOI: 10.7270/Q2P84BJD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50197991 (3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...) Show SMILES CCC(C)CC(CCCN(CC)CC)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:5.13,2.2| Show InChI InChI=1S/C35H44Cl2N4O2/c1-5-25(4)19-31(13-10-17-40(6-2)7-3)38-34(42)16-18-43-35-24-33(28-20-29(36)23-30(37)21-28)39-41(35)32-15-14-26-11-8-9-12-27(26)22-32/h8-9,11-12,14-15,20-25,31H,5-7,10,13,16-19H2,1-4H3,(H,38,42)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	225	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity against human CCR2 receptor assessed as inhibition of MCP1-induced migration of human peripheral blood monocytes				Bioorg Med Chem Lett 17: 807-13 (2007) Article DOI: 10.1016/j.bmcl.2006.10.060 BindingDB Entry DOI: 10.7270/Q2P84BJD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50197981 (3-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...) Show SMILES CCN(CC)CCCC(C)NC(=O)CCOc1cc(nn1-c1ccc2ccccc2c1)-c1cc(Cl)cc(Cl)c1 |w:8.8| Show InChI InChI=1S/C31H36Cl2N4O2/c1-4-36(5-2)15-8-9-22(3)34-30(38)14-16-39-31-21-29(25-17-26(32)20-27(33)18-25)35-37(31)28-13-12-23-10-6-7-11-24(23)19-28/h6-7,10-13,17-22H,4-5,8-9,14-16H2,1-3H3,(H,34,38)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity against human CCR2 receptor assessed as inhibition of MCP1-induced migration of human peripheral blood monocytes				Bioorg Med Chem Lett 17: 807-13 (2007) Article DOI: 10.1016/j.bmcl.2006.10.060 BindingDB Entry DOI: 10.7270/Q2P84BJD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50197977 (4-(3-(3,5-dichlorophenyl)-1-(naphthalen-2-yl)-1H-p...) Show SMILES Clc1cc(Cl)cc(c1)-c1cc(CCCC(=O)NCCCc2ccncc2)n(n1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C31H28Cl2N4O/c32-26-17-25(18-27(33)20-26)30-21-28(37(36-30)29-11-10-23-6-1-2-7-24(23)19-29)8-3-9-31(38)35-14-4-5-22-12-15-34-16-13-22/h1-2,6-7,10-13,15-21H,3-5,8-9,14H2,(H,35,38)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity against human CCR2 receptor assessed as inhibition of MCP1-induced migration of human peripheral blood monocytes				Bioorg Med Chem Lett 17: 807-13 (2007) Article DOI: 10.1016/j.bmcl.2006.10.060 BindingDB Entry DOI: 10.7270/Q2P84BJD
					More data for this Ligand-Target Pair