Compile Data Set for Download or QSAR

Found 220 hits with Last Name = 'mcdermott' and Initial = 'b'   

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))	BDBM50385474 (CHEMBL2036748) Show SMILES CN1CCCC(CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C18H26Cl2N4O/c1-22-6-2-3-14(12-22)13-23-7-9-24(10-8-23)18(25)21-15-4-5-16(19)17(20)11-15/h4-5,11,14H,2-3,6-10,12-13H2,1H3,(H,21,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of 125I-MCP1 from human CCR2 receptor expressed in human HEK cell membrane				Bioorg Med Chem Lett 22: 3895-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.118 BindingDB Entry DOI: 10.7270/Q2PG1SRD
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397138 (CHEMBL2172003) Show SMILES COc1cc(ccc1C1CC1)N1CCN([C@H](C)C1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C27H36N4O3/c1-18-16-30(20-9-10-21(19-7-8-19)24(15-20)34-2)13-14-31(18)26(33)23-6-4-3-5-22(23)25(32)29-27(17-28)11-12-27/h9-10,15,18-19,22-23H,3-8,11-14,16H2,1-2H3,(H,29,32)/t18-,22-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50385450 (CHEMBL2036782) Show SMILES CC(C)N1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H27Cl2N5O2/c1-13(2)26-6-5-22-17(12-26)18(27)24-7-9-25(10-8-24)19(28)23-14-3-4-15(20)16(21)11-14/h3-4,11,13,17,22H,5-10,12H2,1-2H3,(H,23,28)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay				Bioorg Med Chem Lett 22: 3895-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.118 BindingDB Entry DOI: 10.7270/Q2PG1SRD
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397142 (CHEMBL2172005) Show SMILES COc1ccc(cc1OC)N1CCN([C@H](C)C1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H34N4O4/c1-17-15-28(18-8-9-21(32-2)22(14-18)33-3)12-13-29(17)24(31)20-7-5-4-6-19(20)23(30)27-25(16-26)10-11-25/h8-9,14,17,19-20H,4-7,10-13,15H2,1-3H3,(H,27,30)/t17-,19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397137 (CHEMBL2172002) Show SMILES COc1ccc(nc1OC)N1CCN([C@H](C)C1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H33N5O4/c1-16-14-28(20-9-8-19(32-2)22(26-20)33-3)12-13-29(16)23(31)18-7-5-4-6-17(18)21(30)27-24(15-25)10-11-24/h8-9,16-18H,4-7,10-14H2,1-3H3,(H,27,30)/t16-,17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19855 (Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...) Show SMILES CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N Show InChI InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin-k				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair				3D Structure (docked)
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50385479 (CHEMBL2036755) Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(CCc4ccccc4)C3)CC2)cc1Cl |r| Show InChI InChI=1S/C25H32Cl2N4O/c26-23-9-8-22(17-24(23)27)28-25(32)31-15-13-30(14-16-31)19-21-7-4-11-29(18-21)12-10-20-5-2-1-3-6-20/h1-3,5-6,8-9,17,21H,4,7,10-16,18-19H2,(H,28,32)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay				Bioorg Med Chem Lett 22: 3895-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.118 BindingDB Entry DOI: 10.7270/Q2PG1SRD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50385450 (CHEMBL2036782) Show SMILES CC(C)N1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H27Cl2N5O2/c1-13(2)26-6-5-22-17(12-26)18(27)24-7-9-25(10-8-24)19(28)23-14-3-4-15(20)16(21)11-14/h3-4,11,13,17,22H,5-10,12H2,1-2H3,(H,23,28)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of MCP1-induced CCR2-mediated chemotaxis in human THP-1 cells				Bioorg Med Chem Lett 22: 3895-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.118 BindingDB Entry DOI: 10.7270/Q2PG1SRD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50385450 (CHEMBL2036782) Show SMILES CC(C)N1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H27Cl2N5O2/c1-13(2)26-6-5-22-17(12-26)18(27)24-7-9-25(10-8-24)19(28)23-14-3-4-15(20)16(21)11-14/h3-4,11,13,17,22H,5-10,12H2,1-2H3,(H,23,28)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis				Bioorg Med Chem Lett 22: 3895-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.118 BindingDB Entry DOI: 10.7270/Q2PG1SRD
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397141 (CHEMBL2172006) Show SMILES C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N)c1ccccc1 |r| Show InChI InChI=1S/C21H28N4O2/c1-16-15-24(17-7-3-2-4-8-17)13-14-25(16)21(27)19-10-6-5-9-18(19)20(26)23-12-11-22/h2-4,7-8,16,18-19H,5-6,9-10,12-15H2,1H3,(H,23,26)/t16-,18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397126 (CHEMBL2171988) Show SMILES COc1ccc(cc1OC)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r| Show InChI InChI=1S/C22H30N4O4/c1-29-19-8-7-16(15-20(19)30-2)25-11-13-26(14-12-25)22(28)18-6-4-3-5-17(18)21(27)24-10-9-23/h7-8,15,17-18H,3-6,10-14H2,1-2H3,(H,24,27)/t17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397117 (CHEMBL2171986) Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r| Show InChI InChI=1S/C21H28N4O3/c1-28-17-8-6-16(7-9-17)24-12-14-25(15-13-24)21(27)19-5-3-2-4-18(19)20(26)23-11-10-22/h6-9,18-19H,2-5,11-15H2,1H3,(H,23,26)/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395226 (CHEMBL2164676) Show SMILES O=C(NCC#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1ccccc1 |r| Show InChI InChI=1S/C20H26N4O2/c21-10-11-22-19(25)17-8-4-5-9-18(17)20(26)24-14-12-23(13-15-24)16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-9,11-15H2,(H,22,25)/t17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397134 (CHEMBL2172000) Show SMILES C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc2c(C)nn(C)c2c1 |r| Show InChI InChI=1S/C26H34N6O2/c1-17-15-31(19-8-9-20-18(2)29-30(3)23(20)14-19)12-13-32(17)25(34)22-7-5-4-6-21(22)24(33)28-26(16-27)10-11-26/h8-9,14,17,21-22H,4-7,10-13,15H2,1-3H3,(H,28,33)/t17-,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397127 (CHEMBL2171987) Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r| Show InChI InChI=1S/C21H28N4O3/c1-28-17-6-4-5-16(15-17)24-11-13-25(14-12-24)21(27)19-8-3-2-7-18(19)20(26)23-10-9-22/h4-6,15,18-19H,2-3,7-8,10-14H2,1H3,(H,23,26)/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397139 (CHEMBL2172004) Show SMILES C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C24H30N4O4/c1-16-13-27(17-6-7-20-21(12-17)32-15-31-20)10-11-28(16)23(30)19-5-3-2-4-18(19)22(29)26-24(14-25)8-9-24/h6-7,12,16,18-19H,2-5,8-11,13,15H2,1H3,(H,26,29)/t16-,18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397133 (CHEMBL2171999) Show SMILES C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc2n(C)nc(C)c2c1 |r| Show InChI InChI=1S/C26H34N6O2/c1-17-15-31(19-8-9-23-22(14-19)18(2)29-30(23)3)12-13-32(17)25(34)21-7-5-4-6-20(21)24(33)28-26(16-27)10-11-26/h8-9,14,17,20-21H,4-7,10-13,15H2,1-3H3,(H,28,33)/t17-,20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397121 (CHEMBL2171993) Show SMILES COc1ccc(cc1OC)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H32N4O4/c1-31-20-8-7-17(15-21(20)32-2)27-11-13-28(14-12-27)23(30)19-6-4-3-5-18(19)22(29)26-24(16-25)9-10-24/h7-8,15,18-19H,3-6,9-14H2,1-2H3,(H,26,29)/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50385469 (CHEMBL2036757) Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r| Show InChI InChI=1S/C20H28Cl2N4O/c21-18-6-3-16(12-19(18)22)23-20(27)25-10-8-24(9-11-25)13-15-2-1-7-26(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,23,27)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay				Bioorg Med Chem Lett 22: 3895-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.118 BindingDB Entry DOI: 10.7270/Q2PG1SRD
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397118 (CHEMBL2171985) Show SMILES Cc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r| Show InChI InChI=1S/C21H28N4O2/c1-16-6-8-17(9-7-16)24-12-14-25(15-13-24)21(27)19-5-3-2-4-18(19)20(26)23-11-10-22/h6-9,18-19H,2-5,11-15H2,1H3,(H,23,26)/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397140 (CHEMBL2172007) Show SMILES C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccccc1 |r| Show InChI InChI=1S/C23H30N4O2/c1-17-15-26(18-7-3-2-4-8-18)13-14-27(17)22(29)20-10-6-5-9-19(20)21(28)25-23(16-24)11-12-23/h2-4,7-8,17,19-20H,5-6,9-15H2,1H3,(H,25,28)/t17-,19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397124 (CHEMBL2171990) Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r| Show InChI InChI=1S/C21H28N4O4S/c1-30(28,29)17-8-6-16(7-9-17)24-12-14-25(15-13-24)21(27)19-5-3-2-4-18(19)20(26)23-11-10-22/h6-9,18-19H,2-5,11-15H2,1H3,(H,23,26)/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397132 (CHEMBL2171995) Show SMILES C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C24H32N4O4S/c1-17-15-27(18-7-9-19(10-8-18)33(2,31)32)13-14-28(17)23(30)21-6-4-3-5-20(21)22(29)26-24(16-25)11-12-24/h7-10,17,20-21H,3-6,11-15H2,1-2H3,(H,26,29)/t17-,20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397122 (CHEMBL2171992) Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H30N4O3/c1-30-18-8-6-17(7-9-18)26-12-14-27(15-13-26)22(29)20-5-3-2-4-19(20)21(28)25-23(16-24)10-11-23/h6-9,19-20H,2-5,10-15H2,1H3,(H,25,28)/t19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50390404 (CHEMBL2070936) Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C22H27FN4O2/c23-16-5-7-17(8-6-16)26-11-13-27(14-12-26)21(29)19-4-2-1-3-18(19)20(28)25-22(15-24)9-10-22/h5-8,18-19H,1-4,9-14H2,(H,25,28)/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin K (Homo sapiens (Human))	BDBM50397123 (CHEMBL2171991) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1ccccc1 |r| Show InChI InChI=1S/C22H28N4O2/c23-16-22(10-11-22)24-20(27)18-8-4-5-9-19(18)21(28)26-14-12-25(13-15-26)17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-15H2,(H,24,27)/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50390404 (CHEMBL2070936) Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C22H27FN4O2/c23-16-5-7-17(8-6-16)26-11-13-27(14-12-26)21(29)19-4-2-1-3-18(19)20(28)25-22(15-24)9-10-22/h5-8,18-19H,1-4,9-14H2,(H,25,28)/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin-k				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin K (Homo sapiens (Human))	BDBM50397135 (CHEMBL2169908) Show SMILES C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc2c(C)noc2c1 |r| Show InChI InChI=1S/C25H31N5O3/c1-16-14-29(18-7-8-19-17(2)28-33-22(19)13-18)11-12-30(16)24(32)21-6-4-3-5-20(21)23(31)27-25(15-26)9-10-25/h7-8,13,16,20-21H,3-6,9-12,14H2,1-2H3,(H,27,31)/t16-,20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50385468 (CHEMBL2036758) Show SMILES CC(C)N1CCC[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C20H30Cl2N4O/c1-15(2)26-7-3-4-16(14-26)13-24-8-10-25(11-9-24)20(27)23-17-5-6-18(21)19(22)12-17/h5-6,12,15-16H,3-4,7-11,13-14H2,1-2H3,(H,23,27)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay				Bioorg Med Chem Lett 22: 3895-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.118 BindingDB Entry DOI: 10.7270/Q2PG1SRD
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397136 (CHEMBL2172001) Show SMILES C[C@@H]1CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc2c(C)nnc(C)c2c1 |r| Show InChI InChI=1S/C27H34N6O2/c1-17-15-32(20-8-9-21-18(2)30-31-19(3)24(21)14-20)12-13-33(17)26(35)23-7-5-4-6-22(23)25(34)29-27(16-28)10-11-27/h8-9,14,17,22-23H,4-7,10-13,15H2,1-3H3,(H,29,34)/t17-,22-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50385466 (CHEMBL2036760) Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r| Show InChI InChI=1S/C21H28ClF3N4O/c22-19-12-16(3-6-18(19)21(23,24)25)26-20(30)28-10-8-27(9-11-28)13-15-2-1-7-29(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,26,30)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay				Bioorg Med Chem Lett 22: 3895-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.118 BindingDB Entry DOI: 10.7270/Q2PG1SRD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50385456 (CHEMBL2036775) Show SMILES CC(C)N1CCO[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C19H28Cl2N4O2/c1-14(2)25-9-10-27-16(13-25)12-23-5-7-24(8-6-23)19(26)22-15-3-4-17(20)18(21)11-15/h3-4,11,14,16H,5-10,12-13H2,1-2H3,(H,22,26)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay				Bioorg Med Chem Lett 22: 3895-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.118 BindingDB Entry DOI: 10.7270/Q2PG1SRD
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397120 (CHEMBL2171994) Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H30N4O4S/c1-32(30,31)18-8-6-17(7-9-18)26-12-14-27(15-13-26)22(29)20-5-3-2-4-19(20)21(28)25-23(16-24)10-11-23/h6-9,19-20H,2-5,10-15H2,1H3,(H,25,28)/t19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50385452 (CHEMBL2036780) Show SMILES CCN1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C18H25Cl2N5O2/c1-2-23-6-5-21-16(12-23)17(26)24-7-9-25(10-8-24)18(27)22-13-3-4-14(19)15(20)11-13/h3-4,11,16,21H,2,5-10,12H2,1H3,(H,22,27)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay				Bioorg Med Chem Lett 22: 3895-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.118 BindingDB Entry DOI: 10.7270/Q2PG1SRD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50385450 (CHEMBL2036782) Show SMILES CC(C)N1CCN[C@H](C1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H27Cl2N5O2/c1-13(2)26-6-5-22-17(12-26)18(27)24-7-9-25(10-8-24)19(28)23-14-3-4-15(20)16(21)11-14/h3-4,11,13,17,22H,5-10,12H2,1-2H3,(H,23,28)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human CCR5 by FLIPR analysis				Bioorg Med Chem Lett 22: 3895-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.118 BindingDB Entry DOI: 10.7270/Q2PG1SRD
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397119 (CHEMBL2171984) Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NCC#N |r| Show InChI InChI=1S/C20H25FN4O2/c21-15-5-7-16(8-6-15)24-11-13-25(14-12-24)20(27)18-4-2-1-3-17(18)19(26)23-10-9-22/h5-8,17-18H,1-4,10-14H2,(H,23,26)/t17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397125 (CHEMBL2171989) Show SMILES O=C(NCC#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1ccc(cc1)C#N |r| Show InChI InChI=1S/C21H25N5O2/c22-9-10-24-20(27)18-3-1-2-4-19(18)21(28)26-13-11-25(12-14-26)17-7-5-16(15-23)6-8-17/h5-8,18-19H,1-4,10-14H2,(H,24,27)/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50385475 (CHEMBL2036777) Show SMILES CC(C)N1CCN[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C19H29Cl2N5O/c1-14(2)26-6-5-22-16(13-26)12-24-7-9-25(10-8-24)19(27)23-15-3-4-17(20)18(21)11-15/h3-4,11,14,16,22H,5-10,12-13H2,1-2H3,(H,23,27)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay				Bioorg Med Chem Lett 22: 3895-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.118 BindingDB Entry DOI: 10.7270/Q2PG1SRD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50385464 (CHEMBL2036762) Show SMILES Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r| Show InChI InChI=1S/C21H31ClN4O/c1-16-4-5-18(13-20(16)22)23-21(27)25-11-9-24(10-12-25)14-17-3-2-8-26(15-17)19-6-7-19/h4-5,13,17,19H,2-3,6-12,14-15H2,1H3,(H,23,27)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay				Bioorg Med Chem Lett 22: 3895-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.118 BindingDB Entry DOI: 10.7270/Q2PG1SRD
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50390402 (CHEMBL2071097) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCN(CC1)c1nc2CCOCc2s1 |r| Show InChI InChI=1S/C22H29N5O3S/c23-14-22(6-7-22)25-19(28)15-3-1-2-4-16(15)20(29)26-8-10-27(11-9-26)21-24-17-5-12-30-13-18(17)31-21/h15-16H,1-13H2,(H,25,28)/t15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin-k				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50385466 (CHEMBL2036760) Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r| Show InChI InChI=1S/C21H28ClF3N4O/c22-19-12-16(3-6-18(19)21(23,24)25)26-20(30)28-10-8-27(9-11-28)13-15-2-1-7-29(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,26,30)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis				Bioorg Med Chem Lett 22: 3895-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.118 BindingDB Entry DOI: 10.7270/Q2PG1SRD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50385475 (CHEMBL2036777) Show SMILES CC(C)N1CCN[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C19H29Cl2N5O/c1-14(2)26-6-5-22-16(13-26)12-24-7-9-25(10-8-24)19(27)23-15-3-4-17(20)18(21)11-15/h3-4,11,14,16,22H,5-10,12-13H2,1-2H3,(H,23,27)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis				Bioorg Med Chem Lett 22: 3895-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.118 BindingDB Entry DOI: 10.7270/Q2PG1SRD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50385451 (CHEMBL2036781) Show SMILES Clc1ccc(NC(=O)N2CCN(CC2)C(=O)[C@H]2CN(CCN2)C2CC2)cc1Cl |r| Show InChI InChI=1S/C19H25Cl2N5O2/c20-15-4-1-13(11-16(15)21)23-19(28)25-9-7-24(8-10-25)18(27)17-12-26(6-5-22-17)14-2-3-14/h1,4,11,14,17,22H,2-3,5-10,12H2,(H,23,28)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay				Bioorg Med Chem Lett 22: 3895-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.118 BindingDB Entry DOI: 10.7270/Q2PG1SRD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50385465 (CHEMBL2036761) Show SMILES FC(F)(F)c1cc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)ccc1Cl |r| Show InChI InChI=1S/C21H28ClF3N4O/c22-19-6-3-16(12-18(19)21(23,24)25)26-20(30)28-10-8-27(9-11-28)13-15-2-1-7-29(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,26,30)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay				Bioorg Med Chem Lett 22: 3895-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.118 BindingDB Entry DOI: 10.7270/Q2PG1SRD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50385472 (CHEMBL2036751) Show SMILES CCN1CCC[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C19H28Cl2N4O/c1-2-23-7-3-4-15(13-23)14-24-8-10-25(11-9-24)19(26)22-16-5-6-17(20)18(21)12-16/h5-6,12,15H,2-4,7-11,13-14H2,1H3,(H,22,26)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay				Bioorg Med Chem Lett 22: 3895-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.118 BindingDB Entry DOI: 10.7270/Q2PG1SRD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50385451 (CHEMBL2036781) Show SMILES Clc1ccc(NC(=O)N2CCN(CC2)C(=O)[C@H]2CN(CCN2)C2CC2)cc1Cl |r| Show InChI InChI=1S/C19H25Cl2N5O2/c20-15-4-1-13(11-16(15)21)23-19(28)25-9-7-24(8-10-25)18(27)17-12-26(6-5-22-17)14-2-3-14/h1,4,11,14,17,22H,2-3,5-10,12H2,(H,23,28)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis				Bioorg Med Chem Lett 22: 3895-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.118 BindingDB Entry DOI: 10.7270/Q2PG1SRD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50385479 (CHEMBL2036755) Show SMILES Clc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(CCc4ccccc4)C3)CC2)cc1Cl |r| Show InChI InChI=1S/C25H32Cl2N4O/c26-23-9-8-22(17-24(23)27)28-25(32)31-15-13-30(14-16-31)19-21-7-4-11-29(18-21)12-10-20-5-2-1-3-6-20/h1-3,5-6,8-9,17,21H,4,7,10-16,18-19H2,(H,28,32)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis				Bioorg Med Chem Lett 22: 3895-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.118 BindingDB Entry DOI: 10.7270/Q2PG1SRD
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50385456 (CHEMBL2036775) Show SMILES CC(C)N1CCO[C@@H](CN2CCN(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)C1 |r| Show InChI InChI=1S/C19H28Cl2N4O2/c1-14(2)25-9-10-27-16(13-25)12-23-5-7-24(8-6-23)19(26)22-15-3-4-17(20)18(21)11-15/h3-4,11,14,16H,5-10,12-13H2,1-2H3,(H,22,26)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human CCR2 receptor expressed in human THP-1 cells assessed as inhibition of MCP1-induced Ca2+ flux by FLIPR analysis				Bioorg Med Chem Lett 22: 3895-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.118 BindingDB Entry DOI: 10.7270/Q2PG1SRD
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397128 (CHEMBL2172126) Show SMILES CC1(C)CN(CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N)c1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C25H34N4O4S/c1-24(2)17-28(18-8-10-19(11-9-18)34(3,32)33)14-15-29(24)23(31)21-7-5-4-6-20(21)22(30)27-25(16-26)12-13-25/h8-11,20-21H,4-7,12-15,17H2,1-3H3,(H,27,30)/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
C-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50385467 (CHEMBL2036759) Show SMILES Fc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl |r| Show InChI InChI=1S/C20H28ClFN4O/c21-18-12-16(3-6-19(18)22)23-20(27)25-10-8-24(9-11-25)13-15-2-1-7-26(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2,(H,23,27)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of 125I-MCP1 from human CCR2 receptor expressed in human THP-1 cell membrane by SPA assay				Bioorg Med Chem Lett 22: 3895-9 (2012) Article DOI: 10.1016/j.bmcl.2012.04.118 BindingDB Entry DOI: 10.7270/Q2PG1SRD
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 220 total )  |  Next  |  Last  >>

Jump to: