Compile Data Set for Download or QSAR

Found 188 hits with Last Name = 'hamlin' and Initial = 'ga'   

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
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31993 (Dipeptidyl nitrile inhibitor, 26) Show SMILES Cc1cccc(C[C@H](NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C21H27N5O2/c1-14-7-6-8-15(11-14)12-16(19(27)23-10-9-22)24-20(28)17-13-18(21(2,3)4)25-26(17)5/h6-8,11,13,16H,10,12H2,1-5H3,(H,23,27)(H,24,28)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31992 (Dipeptidyl nitrile inhibitor, 25) Show SMILES Cn1nc(cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N)C(C)(C)C |r| Show InChI InChI=1S/C20H24ClN5O2/c1-20(2,3)17-12-16(26(4)25-17)19(28)24-15(18(27)23-9-8-22)11-13-6-5-7-14(21)10-13/h5-7,10,12,15H,9,11H2,1-4H3,(H,23,27)(H,24,28)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31984 (Dipeptidyl nitrile inhibitor, 17) Show SMILES Cc1ccc2cc(C)cc(C(=O)N[C@@H](Cc3cccc(Cl)c3)C(=O)NCC#N)c2c1 |r| Show InChI InChI=1S/C24H22ClN3O2/c1-15-6-7-18-10-16(2)12-21(20(18)11-15)23(29)28-22(24(30)27-9-8-26)14-17-4-3-5-19(25)13-17/h3-7,10-13,22H,9,14H2,1-2H3,(H,27,30)(H,28,29)/t22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50157003 (CHEMBL369352 | N-Cyclopropyl-N-[1-(3,3-diphenyl-pr...) Show SMILES NS(=O)(=O)c1ccc(CC(=O)N(C2CC2)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C31H37N3O3S/c32-38(36,37)29-15-11-24(12-16-29)23-31(35)34(27-13-14-27)28-17-20-33(21-18-28)22-19-30(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-12,15-16,27-28,30H,13-14,17-23H2,(H2,32,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50157002 (1-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-1-ethyl...) Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)NCc1cccc(C)c1 Show InChI InChI=1S/C31H39N3O/c1-3-34(31(35)32-24-26-12-10-11-25(2)23-26)29-17-20-33(21-18-29)22-19-30(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-16,23,29-30H,3,17-22,24H2,1-2H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50157000 (CHEMBL180155 | N-Allyl-N-[1-(3,3-diphenyl-propyl)-...) Show SMILES CS(=O)(=O)c1ccc(CC(=O)N(CC=C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C32H38N2O3S/c1-3-21-34(32(35)25-26-14-16-30(17-15-26)38(2,36)37)29-18-22-33(23-19-29)24-20-31(27-10-6-4-7-11-27)28-12-8-5-9-13-28/h3-17,29,31H,1,18-25H2,2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50157030 (CHEMBL179877 | N-[1-(3,3-Diphenyl-propyl)-piperidi...) Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C30H37N3O3S/c1-2-33(30(34)23-24-13-15-28(16-14-24)37(31,35)36)27-17-20-32(21-18-27)22-19-29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,27,29H,2,17-23H2,1H3,(H2,31,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50156969 (1-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-1-ethyl...) Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)NCc1ccc(OC)cc1 Show InChI InChI=1S/C31H39N3O2/c1-3-34(31(35)32-24-25-14-16-29(36-2)17-15-25)28-18-21-33(22-19-28)23-20-30(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-17,28,30H,3,18-24H2,1-2H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50156989 (2-(4-Dimethylsulfamoyl-phenyl)-N-[1-(3,3-diphenyl-...) Show SMILES CN(C)S(=O)(=O)c1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C31H39N3O3S/c1-32(2)38(36,37)29-16-14-25(15-17-29)24-31(35)33(3)28-18-21-34(22-19-28)23-20-30(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-17,28,30H,18-24H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50157012 (1-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-1-ethyl...) Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C31H39N3O3S/c1-3-34(31(35)32-24-25-14-16-29(17-15-25)38(2,36)37)28-18-21-33(22-19-28)23-20-30(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-17,28,30H,3,18-24H2,1-2H3,(H,32,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31980 (Dipeptidyl nitrile inhibitor, 13) Show SMILES Cc1cc(C)cc(c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C20H20ClN3O2/c1-13-8-14(2)10-16(9-13)19(25)24-18(20(26)23-7-6-22)12-15-4-3-5-17(21)11-15/h3-5,8-11,18H,7,12H2,1-2H3,(H,23,26)(H,24,25)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50157026 (CHEMBL182074 | N-Cyclopropyl-N-[1-(3,3-diphenyl-pr...) Show SMILES CS(=O)(=O)c1ccc(CC(=O)N(C2CC2)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C32H38N2O3S/c1-38(36,37)30-16-12-25(13-17-30)24-32(35)34(28-14-15-28)29-18-21-33(22-19-29)23-20-31(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-13,16-17,28-29,31H,14-15,18-24H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50156998 (2-(4-Cyano-phenyl)-N-[1-(3,3-diphenyl-propyl)-pipe...) Show SMILES CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)C#N Show InChI InChI=1S/C30H33N3O/c1-32(30(34)22-24-12-14-25(23-31)15-13-24)28-16-19-33(20-17-28)21-18-29(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-15,28-29H,16-22H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50156974 (3-Benzyl-1-[1-(3,3-diphenyl-propyl)-piperidin-4-yl...) Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C30H37N3O/c1-2-33(30(34)31-24-25-12-6-3-7-13-25)28-18-21-32(22-19-28)23-20-29(26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17,28-29H,2,18-24H2,1H3,(H,31,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31990 (Dipeptidyl nitrile inhibitor, 23) Show SMILES CCc1cc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)n(C)n1 |r| Show InChI InChI=1S/C18H20ClN5O2/c1-3-14-11-16(24(2)23-14)18(26)22-15(17(25)21-8-7-20)10-12-5-4-6-13(19)9-12/h4-6,9,11,15H,3,8,10H2,1-2H3,(H,21,25)(H,22,26)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50157004 (2-(4-Cyano-phenyl)-N-[1-(3,3-diphenyl-propyl)-pipe...) Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)C#N Show InChI InChI=1S/C31H35N3O/c1-2-34(31(35)23-25-13-15-26(24-32)16-14-25)29-17-20-33(21-18-29)22-19-30(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h3-16,29-30H,2,17-23H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50157032 (CHEMBL369311 | N-[1-(3,3-Diphenyl-propyl)-piperidi...) Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C31H38N2O3S/c1-3-33(31(34)24-25-14-16-29(17-15-25)37(2,35)36)28-18-21-32(22-19-28)23-20-30(26-10-6-4-7-11-26)27-12-8-5-9-13-27/h4-17,28,30H,3,18-24H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31989 (Dipeptidyl nitrile inhibitor, 22) Show SMILES Cc1cc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)c(C)s1 |r| Show InChI InChI=1S/C18H18ClN3O2S/c1-11-8-15(12(2)25-11)17(23)22-16(18(24)21-7-6-20)10-13-4-3-5-14(19)9-13/h3-5,8-9,16H,7,10H2,1-2H3,(H,21,24)(H,22,23)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31991 (Dipeptidyl nitrile inhibitor, 24) Show SMILES CC(C)c1cc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)n(C)n1 |r| Show InChI InChI=1S/C19H22ClN5O2/c1-12(2)15-11-17(25(3)24-15)19(27)23-16(18(26)22-8-7-21)10-13-5-4-6-14(20)9-13/h4-6,9,11-12,16H,8,10H2,1-3H3,(H,22,26)(H,23,27)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31977 (Dipeptidyl nitrile inhibitor, 10) Show SMILES Clc1cccc(C[C@H](NC(=O)c2cccc(Cl)c2)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C18H15Cl2N3O2/c19-14-5-1-3-12(9-14)10-16(18(25)22-8-7-21)23-17(24)13-4-2-6-15(20)11-13/h1-6,9,11,16H,8,10H2,(H,22,25)(H,23,24)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31978 (Dipeptidyl nitrile inhibitor, 11) Show SMILES Cc1ccc(C)c(c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C20H20ClN3O2/c1-13-6-7-14(2)17(10-13)19(25)24-18(20(26)23-9-8-22)12-15-4-3-5-16(21)11-15/h3-7,10-11,18H,9,12H2,1-2H3,(H,23,26)(H,24,25)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50157023 (CHEMBL181913 | N-[1-(3,3-Diphenyl-propyl)-piperidi...) Show SMILES CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C29H35N3O3S/c1-31(29(33)22-23-12-14-27(15-13-23)36(30,34)35)26-16-19-32(20-17-26)21-18-28(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,26,28H,16-22H2,1H3,(H2,30,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50157018 (3-Benzyl-1-[1-(3,3-diphenyl-propyl)-piperidin-4-yl...) Show SMILES CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C29H35N3O/c1-31(29(33)30-23-24-11-5-2-6-12-24)27-17-20-32(21-18-27)22-19-28(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,27-28H,17-23H2,1H3,(H,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31983 (Dipeptidyl nitrile inhibitor, 16) Show SMILES Clc1cccc(C[C@H](NC(=O)c2ccnc3ccccc23)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C21H17ClN4O2/c22-15-5-3-4-14(12-15)13-19(21(28)25-11-9-23)26-20(27)17-8-10-24-18-7-2-1-6-16(17)18/h1-8,10,12,19H,11,13H2,(H,25,28)(H,26,27)/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50156982 (1-Allyl-1-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]...) Show SMILES COc1ccc(CNC(=O)N(CC=C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C32H39N3O2/c1-3-21-35(32(36)33-25-26-14-16-30(37-2)17-15-26)29-18-22-34(23-19-29)24-20-31(27-10-6-4-7-11-27)28-12-8-5-9-13-28/h3-17,29,31H,1,18-25H2,2H3,(H,33,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50157016 (CHEMBL360106 | N-[1-(3,3-Diphenyl-propyl)-piperidi...) Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C30H35N3O3/c1-2-32(30(34)23-24-13-15-28(16-14-24)33(35)36)27-17-20-31(21-18-27)22-19-29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,27,29H,2,17-23H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM31970 (Dipeptidyl nitrile inhibitor, 1) Show SMILES Clc1cccc(C[C@H](NC(=O)c2ccccc2)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C18H16ClN3O2/c19-15-8-4-5-13(11-15)12-16(18(24)21-10-9-20)22-17(23)14-6-2-1-3-7-14/h1-8,11,16H,10,12H2,(H,21,24)(H,22,23)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50156980 (CHEMBL360044 | N-[1-(3,3-Diphenyl-propyl)-piperidi...) Show SMILES CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C29H33N3O3/c1-30(29(33)22-23-12-14-27(15-13-23)32(34)35)26-16-19-31(20-17-26)21-18-28(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,26,28H,16-22H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50157019 (CHEMBL426960 | N-Allyl-N-[1-(3,3-diphenyl-propyl)-...) Show SMILES [O-][N+](=O)c1ccc(CC(=O)N(CC=C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C31H35N3O3/c1-2-20-33(31(35)24-25-13-15-29(16-14-25)34(36)37)28-17-21-32(22-18-28)23-19-30(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h2-16,28,30H,1,17-24H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50157009 (1-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-3-(4-fl...) Show SMILES CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C28H32FN3O/c1-31(28(33)30-25-14-12-24(29)13-15-25)26-16-19-32(20-17-26)21-18-27(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,26-27H,16-21H2,1H3,(H,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM31977 (Dipeptidyl nitrile inhibitor, 10) Show SMILES Clc1cccc(C[C@H](NC(=O)c2cccc(Cl)c2)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C18H15Cl2N3O2/c19-14-5-1-3-12(9-14)10-16(18(25)22-8-7-21)23-17(24)13-4-2-6-15(20)11-13/h1-6,9,11,16H,8,10H2,(H,22,25)(H,23,24)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM31992 (Dipeptidyl nitrile inhibitor, 25) Show SMILES Cn1nc(cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N)C(C)(C)C |r| Show InChI InChI=1S/C20H24ClN5O2/c1-20(2,3)17-12-16(26(4)25-17)19(28)24-15(18(27)23-9-8-22)11-13-6-5-7-14(21)10-13/h5-7,10,12,15H,9,11H2,1-4H3,(H,23,27)(H,24,28)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM31980 (Dipeptidyl nitrile inhibitor, 13) Show SMILES Cc1cc(C)cc(c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C20H20ClN3O2/c1-13-8-14(2)10-16(9-13)19(25)24-18(20(26)23-7-6-22)12-15-4-3-5-17(21)11-15/h3-5,8-11,18H,7,12H2,1-2H3,(H,23,26)(H,24,25)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM31977 (Dipeptidyl nitrile inhibitor, 10) Show SMILES Clc1cccc(C[C@H](NC(=O)c2cccc(Cl)c2)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C18H15Cl2N3O2/c19-14-5-1-3-12(9-14)10-16(18(25)22-8-7-21)23-17(24)13-4-2-6-15(20)11-13/h1-6,9,11,16H,8,10H2,(H,22,25)(H,23,24)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM31988 (Dipeptidyl nitrile inhibitor, 21) Show SMILES Cc1nc(C)c(s1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C17H17ClN4O2S/c1-10-15(25-11(2)21-10)17(24)22-14(16(23)20-7-6-19)9-12-4-3-5-13(18)8-12/h3-5,8,14H,7,9H2,1-2H3,(H,20,23)(H,22,24)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50157015 (1-Allyl-1-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]...) Show SMILES Cc1cccc(CNC(=O)N(CC=C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1 Show InChI InChI=1S/C32H39N3O/c1-3-20-35(32(36)33-25-27-12-10-11-26(2)24-27)30-17-21-34(22-18-30)23-19-31(28-13-6-4-7-14-28)29-15-8-5-9-16-29/h3-16,24,30-31H,1,17-23,25H2,2H3,(H,33,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM31988 (Dipeptidyl nitrile inhibitor, 21) Show SMILES Cc1nc(C)c(s1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C17H17ClN4O2S/c1-10-15(25-11(2)21-10)17(24)22-14(16(23)20-7-6-19)9-12-4-3-5-13(18)8-12/h3-5,8,14H,7,9H2,1-2H3,(H,20,23)(H,22,24)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31981 (Dipeptidyl nitrile inhibitor, 14) Show SMILES Clc1cccc(C[C@H](NC(=O)c2cccc3ccccc23)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C22H18ClN3O2/c23-17-8-3-5-15(13-17)14-20(22(28)25-12-11-24)26-21(27)19-10-4-7-16-6-1-2-9-18(16)19/h1-10,13,20H,12,14H2,(H,25,28)(H,26,27)/t20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31975 (Dipeptidyl nitrile inhibitor, 8) Show SMILES Cc1cccc(c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C19H18ClN3O2/c1-13-4-2-6-15(10-13)18(24)23-17(19(25)22-9-8-21)12-14-5-3-7-16(20)11-14/h2-7,10-11,17H,9,12H2,1H3,(H,22,25)(H,23,24)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31974 (Dipeptidyl nitrile inhibitor, 7) Show SMILES Cc1ccc(cc1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C19H18ClN3O2/c1-13-5-7-15(8-6-13)18(24)23-17(19(25)22-10-9-21)12-14-3-2-4-16(20)11-14/h2-8,11,17H,10,12H2,1H3,(H,22,25)(H,23,24)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31970 (Dipeptidyl nitrile inhibitor, 1) Show SMILES Clc1cccc(C[C@H](NC(=O)c2ccccc2)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C18H16ClN3O2/c19-15-8-4-5-13(11-15)12-16(18(24)21-10-9-20)22-17(23)14-6-2-1-3-7-14/h1-8,11,16H,10,12H2,(H,21,24)(H,22,23)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50156972 (CHEMBL182684 | N-[1-(3,3-Diphenyl-propyl)-piperidi...) Show SMILES CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C30H33F3N2O2/c1-34(29(36)22-23-12-14-27(15-13-23)37-30(31,32)33)26-16-19-35(20-17-26)21-18-28(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,26,28H,16-22H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50156970 (CHEMBL182817 | N-[1-(3,3-Diphenyl-propyl)-piperidi...) Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C31H35F3N2O2/c1-2-36(30(37)23-24-13-15-28(16-14-24)38-31(32,33)34)27-17-20-35(21-18-27)22-19-29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,27,29H,2,17-23H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50156992 (CHEMBL182929 | N-Cyclopropyl-N-[1-(3,3-diphenyl-pr...) Show SMILES [O-][N+](=O)c1ccc(CC(=O)N(C2CC2)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C31H35N3O3/c35-31(23-24-11-13-29(14-12-24)34(36)37)33(27-15-16-27)28-17-20-32(21-18-28)22-19-30(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-14,27-28,30H,15-23H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31979 (Dipeptidyl nitrile inhibitor, 12) Show SMILES Cc1cccc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)c1C |r| Show InChI InChI=1S/C20H20ClN3O2/c1-13-5-3-8-17(14(13)2)19(25)24-18(20(26)23-10-9-22)12-15-6-4-7-16(21)11-15/h3-8,11,18H,10,12H2,1-2H3,(H,23,26)(H,24,25)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM31980 (Dipeptidyl nitrile inhibitor, 13) Show SMILES Cc1cc(C)cc(c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C20H20ClN3O2/c1-13-8-14(2)10-16(9-13)19(25)24-18(20(26)23-7-6-22)12-15-4-3-5-17(21)11-15/h3-5,8-11,18H,7,12H2,1-2H3,(H,23,26)(H,24,25)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
Procathepsin L [114-333,T223A] (Homo sapiens (Human))	BDBM31973 (Dipeptidyl nitrile inhibitor, 6) Show SMILES Clc1cccc(C[C@H](NC(=O)C2CCCCCC2)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C19H24ClN3O2/c20-16-9-5-6-14(12-16)13-17(19(25)22-11-10-21)23-18(24)15-7-3-1-2-4-8-15/h5-6,9,12,15,17H,1-4,7-8,11,13H2,(H,22,25)(H,23,24)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	7.0	37
AstraZeneca					Assay Description IC50 values for inhibition of Cathepsins were determined from dose dependent inhibition of cleavage of fluorogenic, AMC-tagged, peptide substrates.				Bioorg Med Chem Lett 19: 4280-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.071 BindingDB Entry DOI: 10.7270/Q2TT4PBM
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50156975 (1-[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-1-ethyl...) Show SMILES CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(C)cc1 Show InChI InChI=1S/C30H37N3O/c1-3-33(30(34)31-27-16-14-24(2)15-17-27)28-18-21-32(22-19-28)23-20-29(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-17,28-29H,3,18-23H2,1-2H3,(H,31,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50157025 (CHEMBL182083 | N-Allyl-N-[1-(3,3-diphenyl-propyl)-...) Show SMILES FC(F)(F)Oc1ccc(CC(=O)N(CC=C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C32H35F3N2O2/c1-2-20-37(31(38)24-25-13-15-29(16-14-25)39-32(33,34)35)28-17-21-36(22-18-28)23-19-30(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h2-16,28,30H,1,17-24H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50157008 (CHEMBL360524 | N-[1-(3,3-Diphenyl-propyl)-piperidi...) Show SMILES CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C30H33F3N2O/c1-34(29(36)22-23-12-14-26(15-13-23)30(31,32)33)27-16-19-35(20-17-27)21-18-28(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,27-28H,16-22H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding of [125I]-RANTES to membranes prepared from chinese hamster ovary (CHO) cells stably expressing recombinant human C-C chemokine receptor type...				Bioorg Med Chem Lett 15: 25-8 (2004) Article DOI: 10.1016/j.bmcl.2004.10.044 BindingDB Entry DOI: 10.7270/Q2833RJJ
					More data for this Ligand-Target Pair

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