Compile Data Set for Download or QSAR

Found 37 hits with Last Name = 'qin' and Initial = 'lh'   

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))	BDBM50274428 (CHEMBL4127538) Show SMILES COC1COCCC1NC1CCN(CC1)C(=O)c1ncnc(Nc2ccc(Cl)c(Cl)c2)c1C Show InChI InChI=1S/C23H29Cl2N5O3/c1-14-21(26-13-27-22(14)29-16-3-4-17(24)18(25)11-16)23(31)30-8-5-15(6-9-30)28-19-7-10-33-12-20(19)32-2/h3-4,11,13,15,19-20,28H,5-10,12H2,1-2H3,(H,26,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Binding affinity to human CCR2				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50274429 (CHEMBL4126162) Show SMILES CN(C1CCN(CC1)C1CCN(CC1)C(=O)c1ncnc(N2CCc3ccc(cc3C2)C(F)(F)F)c1C)S(C)(=O)=O Show InChI InChI=1S/C28H37F3N6O3S/c1-19-25(32-18-33-26(19)37-11-6-20-4-5-22(28(29,30)31)16-21(20)17-37)27(38)36-14-9-24(10-15-36)35-12-7-23(8-13-35)34(2)41(3,39)40/h4-5,16,18,23-24H,6-15,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Binding affinity to human CCR2				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50274430 (CHEMBL4127496) Show SMILES CCS(=O)(=O)N(C)C1CCN(CC1)C1CCN(CC1)C(=O)c1ncnc(NCc2ccc(Cl)c(Cl)c2)c1C Show InChI InChI=1S/C26H36Cl2N6O3S/c1-4-38(36,37)32(3)20-7-11-33(12-8-20)21-9-13-34(14-10-21)26(35)24-18(2)25(31-17-30-24)29-16-19-5-6-22(27)23(28)15-19/h5-6,15,17,20-21H,4,7-14,16H2,1-3H3,(H,29,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Binding affinity to human CCR2				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM385387 ((E)-3-Fluoro-2-[[2-(4-methoxy-1-piperidyl)pyrimidi...) Show SMILES COC1CCN(CC1)c1ncc(OC\C(CN)=C\F)cn1 Show InChI InChI=1S/C14H21FN4O2/c1-20-12-2-4-19(5-3-12)14-17-8-13(9-18-14)21-10-11(6-15)7-16/h6,8-9,12H,2-5,7,10,16H2,1H3/b11-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description Amine oxidase activity of recombinant SSAO, MAOa, and MAOb isoforms are measured using the MAO-Glo™ assay kit from Promega (V1402). Test compounds (w...				J Med Chem 51: 7057-60 (2008) BindingDB Entry DOI: 10.7270/Q2C82CM5
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM385387 ((E)-3-Fluoro-2-[[2-(4-methoxy-1-piperidyl)pyrimidi...) Show SMILES COC1CCN(CC1)c1ncc(OC\C(CN)=C\F)cn1 Show InChI InChI=1S/C14H21FN4O2/c1-20-12-2-4-19(5-3-12)14-17-8-13(9-18-14)21-10-11(6-15)7-16/h6,8-9,12H,2-5,7,10,16H2,1H3/b11-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
ELI LILLY AND COMPANY US Patent					Assay Description Amine oxidase activity of recombinant SSAO, MAOa, and MAOb isoforms are measured using the MAO-Glo™ assay kit from Promega (V1402). Test compounds (w...				US Patent US10793552 (2020) BindingDB Entry DOI: 10.7270/Q22B922T
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM385387 ((E)-3-Fluoro-2-[[2-(4-methoxy-1-piperidyl)pyrimidi...) Show SMILES COC1CCN(CC1)c1ncc(OC\C(CN)=C\F)cn1 Show InChI InChI=1S/C14H21FN4O2/c1-20-12-2-4-19(5-3-12)14-17-8-13(9-18-14)21-10-11(6-15)7-16/h6,8-9,12H,2-5,7,10,16H2,1H3/b11-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description Amine oxidase activity of recombinant SSAO, MAOa, and MAOb isoforms are measured using the MAO-Glo™ assay kit from Promega (V1402). Test compounds (w...				US Patent US10464928 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5K1J
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50088301 ((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...) Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15| Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM385388 ((E)-3-Fluoro-2-[[2-[(3S)-3-methoxypyrrolidin-1-yl]...) Show SMILES CO[C@H]1CCN(C1)c1ncc(OC\C(CN)=C\F)cn1 |r| Show InChI InChI=1S/C13H19FN4O2/c1-19-11-2-3-18(8-11)13-16-6-12(7-17-13)20-9-10(4-14)5-15/h4,6-7,11H,2-3,5,8-9,15H2,1H3/b10-4+/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description Amine oxidase activity of recombinant SSAO, MAOa, and MAOb isoforms are measured using the MAO-Glo™ assay kit from Promega (V1402). Test compounds (w...				J Med Chem 51: 7057-60 (2008) BindingDB Entry DOI: 10.7270/Q2C82CM5
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM385388 ((E)-3-Fluoro-2-[[2-[(3S)-3-methoxypyrrolidin-1-yl]...) Show SMILES CO[C@H]1CCN(C1)c1ncc(OC\C(CN)=C\F)cn1 |r| Show InChI InChI=1S/C13H19FN4O2/c1-19-11-2-3-18(8-11)13-16-6-12(7-17-13)20-9-10(4-14)5-15/h4,6-7,11H,2-3,5,8-9,15H2,1H3/b10-4+/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
ELI LILLY AND COMPANY US Patent					Assay Description Amine oxidase activity of recombinant SSAO, MAOa, and MAOb isoforms are measured using the MAO-Glo™ assay kit from Promega (V1402). Test compounds (w...				US Patent US10793552 (2020) BindingDB Entry DOI: 10.7270/Q22B922T
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM385388 ((E)-3-Fluoro-2-[[2-[(3S)-3-methoxypyrrolidin-1-yl]...) Show SMILES CO[C@H]1CCN(C1)c1ncc(OC\C(CN)=C\F)cn1 |r| Show InChI InChI=1S/C13H19FN4O2/c1-19-11-2-3-18(8-11)13-16-6-12(7-17-13)20-9-10(4-14)5-15/h4,6-7,11H,2-3,5,8-9,15H2,1H3/b10-4+/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description Amine oxidase activity of recombinant SSAO, MAOa, and MAOb isoforms are measured using the MAO-Glo™ assay kit from Promega (V1402). Test compounds (w...				US Patent US10464928 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5K1J
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM385389 ((3 S)-1-[5-[(E)-2-(Aminomethyl)-3-fluoro-allyloxy]...) Show SMILES NC\C(COc1cnc(nc1)N1CC[C@H](O)C1)=C/F |r| Show InChI InChI=1S/C12H17FN4O2/c13-3-9(4-14)8-19-11-5-15-12(16-6-11)17-2-1-10(18)7-17/h3,5-6,10,18H,1-2,4,7-8,14H2/b9-3+/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description Amine oxidase activity of recombinant SSAO, MAOa, and MAOb isoforms are measured using the MAO-Glo™ assay kit from Promega (V1402). Test compounds (w...				US Patent US10464928 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5K1J
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM385389 ((3 S)-1-[5-[(E)-2-(Aminomethyl)-3-fluoro-allyloxy]...) Show SMILES NC\C(COc1cnc(nc1)N1CC[C@H](O)C1)=C/F |r| Show InChI InChI=1S/C12H17FN4O2/c13-3-9(4-14)8-19-11-5-15-12(16-6-11)17-2-1-10(18)7-17/h3,5-6,10,18H,1-2,4,7-8,14H2/b9-3+/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford					Assay Description Amine oxidase activity of recombinant SSAO, MAOa, and MAOb isoforms are measured using the MAO-Glo™ assay kit from Promega (V1402). Test compounds (w...				J Med Chem 51: 7057-60 (2008) BindingDB Entry DOI: 10.7270/Q2C82CM5
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM385389 ((3 S)-1-[5-[(E)-2-(Aminomethyl)-3-fluoro-allyloxy]...) Show SMILES NC\C(COc1cnc(nc1)N1CC[C@H](O)C1)=C/F |r| Show InChI InChI=1S/C12H17FN4O2/c13-3-9(4-14)8-19-11-5-15-12(16-6-11)17-2-1-10(18)7-17/h3,5-6,10,18H,1-2,4,7-8,14H2/b9-3+/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
ELI LILLY AND COMPANY US Patent					Assay Description Amine oxidase activity of recombinant SSAO, MAOa, and MAOb isoforms are measured using the MAO-Glo™ assay kit from Promega (V1402). Test compounds (w...				US Patent US10793552 (2020) BindingDB Entry DOI: 10.7270/Q22B922T
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50274427 (CHEMBL4128498) Show SMILES CN(C1CCN(CCCN2CCCc3c(Nc4ccc(Cl)c(Cl)c4)nccc3C2=O)CC1)S(C)(=O)=O Show InChI InChI=1S/C25H33Cl2N5O3S/c1-30(36(2,34)35)19-9-15-31(16-10-19)12-4-14-32-13-3-5-20-21(25(32)33)8-11-28-24(20)29-18-6-7-22(26)23(27)17-18/h6-8,11,17,19H,3-5,9-10,12-16H2,1-2H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50274419 (CHEMBL4130047) Show SMILES CN(C1CCN(CCCN2CCCc3c(Nc4ccc(Cl)cc4)nccc3C2=O)CC1)S(C)(=O)=O Show InChI InChI=1S/C25H34ClN5O3S/c1-29(35(2,33)34)21-11-17-30(18-12-21)14-4-16-31-15-3-5-22-23(25(31)32)10-13-27-24(22)28-20-8-6-19(26)7-9-20/h6-10,13,21H,3-5,11-12,14-18H2,1-2H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50274493 (CHEMBL4126360) Show SMILES Clc1ccc(Nc2nccc3c2CCCN(CCCN2CCC(CC2)c2ccccc2)C3=O)cc1Cl Show InChI InChI=1S/C29H32Cl2N4O/c30-26-10-9-23(20-27(26)31)33-28-24-8-4-16-35(29(36)25(24)11-14-32-28)17-5-15-34-18-12-22(13-19-34)21-6-2-1-3-7-21/h1-3,6-7,9-11,14,20,22H,4-5,8,12-13,15-19H2,(H,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50274491 (CHEMBL4130191) Show SMILES CS(=O)(=O)NC1CCN(CCCN2CCCc3c(Nc4ccc(Cl)c(Cl)c4)nccc3C2=O)CC1 Show InChI InChI=1S/C24H31Cl2N5O3S/c1-35(33,34)29-17-8-14-30(15-9-17)11-3-13-31-12-2-4-19-20(24(31)32)7-10-27-23(19)28-18-5-6-21(25)22(26)16-18/h5-7,10,16-17,29H,2-4,8-9,11-15H2,1H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	336	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50274420 (CHEMBL4127580) Show SMILES CCS(=O)(=O)N(C)C1CCN(CCCN2CCCc3c(Nc4ccc(Cl)c(Cl)c4)nccc3C2=O)CC1 Show InChI InChI=1S/C26H35Cl2N5O3S/c1-3-37(35,36)31(2)20-10-16-32(17-11-20)13-5-15-33-14-4-6-21-22(26(33)34)9-12-29-25(21)30-19-7-8-23(27)24(28)18-19/h7-9,12,18,20H,3-6,10-11,13-17H2,1-2H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50274477 (CHEMBL4128514) Show SMILES CN(C1CCN(CCCN2CCCc3c(Nc4ccccn4)nccc3C2=O)CC1)S(C)(=O)=O Show InChI InChI=1S/C24H34N6O3S/c1-28(34(2,32)33)19-10-17-29(18-11-19)14-6-16-30-15-5-7-20-21(24(30)31)9-13-26-23(20)27-22-8-3-4-12-25-22/h3-4,8-9,12-13,19H,5-7,10-11,14-18H2,1-2H3,(H,25,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50274432 (CHEMBL4127135) Show SMILES CN(C1CCN(CCCN2CCc3c(Nc4ccc(Cl)c(Cl)c4)nccc3C2=O)CC1)S(C)(=O)=O Show InChI InChI=1S/C24H31Cl2N5O3S/c1-29(35(2,33)34)18-7-13-30(14-8-18)11-3-12-31-15-9-19-20(24(31)32)6-10-27-23(19)28-17-4-5-21(25)22(26)16-17/h4-6,10,16,18H,3,7-9,11-15H2,1-2H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	638	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50274427 (CHEMBL4128498) Show SMILES CN(C1CCN(CCCN2CCCc3c(Nc4ccc(Cl)c(Cl)c4)nccc3C2=O)CC1)S(C)(=O)=O Show InChI InChI=1S/C25H33Cl2N5O3S/c1-30(36(2,34)35)19-9-15-31(16-10-19)12-4-14-32-13-3-5-20-21(25(32)33)8-11-28-24(20)29-18-6-7-22(26)23(27)17-18/h6-8,11,17,19H,3-5,9-10,12-16H2,1-2H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR5 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of Rantes-induced intracellular Ca2+ ...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50274421 (CHEMBL4128742) Show SMILES Clc1ccc(Nc2nccc3c2CCCN(CCCN2CCC4(CC2)C=Cc2ccccc42)C3=O)cc1Cl |c:27| Show InChI InChI=1S/C31H32Cl2N4O/c32-27-9-8-23(21-28(27)33)35-29-24-6-3-17-37(30(38)25(24)11-15-34-29)18-4-16-36-19-13-31(14-20-36)12-10-22-5-1-2-7-26(22)31/h1-2,5,7-12,15,21H,3-4,6,13-14,16-20H2,(H,34,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50274492 (CHEMBL4128975) Show SMILES Clc1ccc(Nc2nccc3c2CCCN(CCCN2CCCCC2)C3=O)cc1Cl Show InChI InChI=1S/C23H28Cl2N4O/c24-20-8-7-17(16-21(20)25)27-22-18-6-4-14-29(23(30)19(18)9-10-26-22)15-5-13-28-11-2-1-3-12-28/h7-10,16H,1-6,11-15H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50274423 (CHEMBL4127096) Show SMILES COC1CCN(CCCN2CCCc3c(Nc4ccc(Cl)c(Cl)c4)nccc3C2=O)CC1 Show InChI InChI=1S/C24H30Cl2N4O2/c1-32-18-8-14-29(15-9-18)11-3-13-30-12-2-4-19-20(24(30)31)7-10-27-23(19)28-17-5-6-21(25)22(26)16-17/h5-7,10,16,18H,2-4,8-9,11-15H2,1H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50274422 (CHEMBL4128487) Show SMILES Clc1ccc(Nc2nccc3c2CCCN(CCCN2CCC4(CC2)SCc2ccccc42)C3=O)cc1Cl Show InChI InChI=1S/C30H32Cl2N4OS/c31-26-9-8-22(19-27(26)32)34-28-23-6-3-15-36(29(37)24(23)10-13-33-28)16-4-14-35-17-11-30(12-18-35)25-7-2-1-5-21(25)20-38-30/h1-2,5,7-10,13,19H,3-4,6,11-12,14-18,20H2,(H,33,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50274481 (CHEMBL4126779) Show SMILES CN(C1CCN(CCCN2CCCc3c(Nc4ccc(Cl)c(F)c4)nccc3C2=O)CC1)S(C)(=O)=O Show InChI InChI=1S/C25H33ClFN5O3S/c1-30(36(2,34)35)19-9-15-31(16-10-19)12-4-14-32-13-3-5-20-21(25(32)33)8-11-28-24(20)29-18-6-7-22(26)23(27)17-18/h6-8,11,17,19H,3-5,9-10,12-16H2,1-2H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50274480 (CHEMBL4128015) Show SMILES CN(C1CCN(CCCN2CCCc3c(Nc4cccc(c4)C(F)(F)F)nccc3C2=O)CC1)S(C)(=O)=O Show InChI InChI=1S/C26H34F3N5O3S/c1-32(38(2,36)37)21-10-16-33(17-11-21)13-5-15-34-14-4-8-22-23(25(34)35)9-12-30-24(22)31-20-7-3-6-19(18-20)26(27,28)29/h3,6-7,9,12,18,21H,4-5,8,10-11,13-17H2,1-2H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50274418 (CHEMBL4126032) Show SMILES CN(C1CCN(CCCN2CCCc3c(Oc4ccc(Cl)c(Cl)c4)nccc3C2=O)CC1)S(C)(=O)=O Show InChI InChI=1S/C25H32Cl2N4O4S/c1-29(36(2,33)34)18-9-15-30(16-10-18)12-4-14-31-13-3-5-20-21(25(31)32)8-11-28-24(20)35-19-6-7-22(26)23(27)17-19/h6-8,11,17-18H,3-5,9-10,12-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50274431 (CHEMBL4125768) Show SMILES CN(C1CCN(CCCN2CCc3cnc(Nc4ccc(Cl)c(Cl)c4)cc3C2=O)CC1)S(C)(=O)=O Show InChI InChI=1S/C24H31Cl2N5O3S/c1-29(35(2,33)34)19-7-11-30(12-8-19)9-3-10-31-13-6-17-16-27-23(15-20(17)24(31)32)28-18-4-5-21(25)22(26)14-18/h4-5,14-16,19H,3,6-13H2,1-2H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50274490 (CHEMBL4128832) Show SMILES CN(C1CCN(CCCN2CCCc3c(Nc4cc(Cl)cc(Cl)c4)nccc3C2=O)CC1)S(C)(=O)=O Show InChI InChI=1S/C25H33Cl2N5O3S/c1-30(36(2,34)35)21-7-13-31(14-8-21)10-4-12-32-11-3-5-22-23(25(32)33)6-9-28-24(22)29-20-16-18(26)15-19(27)17-20/h6,9,15-17,21H,3-5,7-8,10-14H2,1-2H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50274433 (CHEMBL4128372) Show SMILES CN(C1CCN(CCCn2ccc3c(Nc4ccc(Cl)c(Cl)c4)nccc3c2=O)CC1)S(C)(=O)=O Show InChI InChI=1S/C24H29Cl2N5O3S/c1-29(35(2,33)34)18-7-13-30(14-8-18)11-3-12-31-15-9-19-20(24(31)32)6-10-27-23(19)28-17-4-5-21(25)22(26)16-17/h4-6,9-10,15-16,18H,3,7-8,11-14H2,1-2H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50274424 (CHEMBL4127249) Show SMILES Clc1ccc(Nc2nccc3c2CCCN(CCCN2CCOCC2)C3=O)cc1Cl Show InChI InChI=1S/C22H26Cl2N4O2/c23-19-5-4-16(15-20(19)24)26-21-17-3-1-9-28(22(29)18(17)6-7-25-21)10-2-8-27-11-13-30-14-12-27/h4-7,15H,1-3,8-14H2,(H,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50274479 (CHEMBL4126634) Show SMILES CN(C1CCN(CCCN2CCCc3c(Nc4cccc(F)c4)nccc3C2=O)CC1)S(C)(=O)=O Show InChI InChI=1S/C25H34FN5O3S/c1-29(35(2,33)34)21-10-16-30(17-11-21)13-5-15-31-14-4-8-22-23(25(31)32)9-12-27-24(22)28-20-7-3-6-19(26)18-20/h3,6-7,9,12,18,21H,4-5,8,10-11,13-17H2,1-2H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50274478 (CHEMBL4128399) Show SMILES CN(C1CCN(CCCN2CCCc3c(Nc4ccc(cc4)C(C)(C)C)nccc3C2=O)CC1)S(C)(=O)=O Show InChI InChI=1S/C29H43N5O3S/c1-29(2,3)22-9-11-23(12-10-22)31-27-25-8-6-18-34(28(35)26(25)13-16-30-27)19-7-17-33-20-14-24(15-21-33)32(4)38(5,36)37/h9-13,16,24H,6-8,14-15,17-21H2,1-5H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50274434 (CHEMBL4128658) Show SMILES CN(C1CCN(CCCN2CCCc3c(NCCc4ccc(Cl)c(Cl)c4)nccc3C2=O)CC1)S(C)(=O)=O Show InChI InChI=1S/C27H37Cl2N5O3S/c1-32(38(2,36)37)21-10-17-33(18-11-21)14-4-16-34-15-3-5-22-23(27(34)35)9-13-31-26(22)30-12-8-20-6-7-24(28)25(29)19-20/h6-7,9,13,19,21H,3-5,8,10-12,14-18H2,1-2H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50274425 (CHEMBL4125866) Show SMILES CC(=O)N1CCN(CCCN2CCCc3c(Nc4ccc(Cl)c(Cl)c4)nccc3C2=O)CC1 Show InChI InChI=1S/C24H29Cl2N5O2/c1-17(32)30-14-12-29(13-15-30)9-3-11-31-10-2-4-19-20(24(31)33)7-8-27-23(19)28-18-5-6-21(25)22(26)16-18/h5-8,16H,2-4,9-15H2,1H3,(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50274426 (CHEMBL4126007) Show SMILES CN1CCN(CCCN2CCCc3c(Nc4ccc(Cl)c(Cl)c4)nccc3C2=O)CC1 Show InChI InChI=1S/C23H29Cl2N5O/c1-28-12-14-29(15-13-28)9-3-11-30-10-2-4-18-19(23(30)31)7-8-26-22(18)27-17-5-6-20(24)21(25)16-17/h5-8,16H,2-4,9-15H2,1H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR2 (unknown origin) expressed in CHOK1 cells co-expressing Ga16 assessed as inhibition of CCL2 induced intracellular Ca2+ mo...				Bioorg Med Chem 26: 3559-3572 (2018) Article DOI: 10.1016/j.bmc.2018.05.027 BindingDB Entry DOI: 10.7270/Q2H41TZH
					More data for this Ligand-Target Pair