Compile Data Set for Download or QSAR

Found 214 hits with Last Name = 'hirata' and Initial = 'k'   

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 (Homo sapiens (Human))	BDBM50505559 (CHEMBL4441303) Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)\C=C\C(=O)N1[C@@H](CC(C)C)C(OC)=CC1=O |r,c:48| Show InChI InChI=1S/C40H62N4O7/c1-12-28(8)37(43(9)10)40(49)51-34(22-27(6)7)39(48)42-31(20-25(2)3)38(47)41-30(23-29-16-14-13-15-17-29)18-19-35(45)44-32(21-26(4)5)33(50-11)24-36(44)46/h13-19,24-28,30-32,34,37H,12,20-23H2,1-11H3,(H,41,47)(H,42,48)/b19-18+/t28-,30+,31-,32-,34-,37-/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	0.0940	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using fluorogenic substrate cbz-FR-AMC monitored for 90 to 120 mins by spectrophotometry				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50505555 (CHEMBL4447348) Show SMILES COC1=CC(=O)N([C@H]1CC(C)C)C(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](C(C)C)N(C)C |r,t:2| Show InChI InChI=1S/C39H60N4O7/c1-24(2)19-30(41-38(47)33(21-26(5)6)50-39(48)36(27(7)8)42(9)10)37(46)40-29(22-28-15-13-12-14-16-28)17-18-34(44)43-31(20-25(3)4)32(49-11)23-35(43)45/h12-18,23-27,29-31,33,36H,19-22H2,1-11H3,(H,40,46)(H,41,47)/b18-17+/t29-,30+,31+,33+,36+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ...				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50033762 (Gallinamide A) Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](C)C(OC)=CC1=O |r,c:38| Show InChI InChI=1S/C31H52N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h13-14,17-23,25,28H,12,15-16H2,1-11H3,(H,32,38)(H,33,39)/b14-13+/t20-,21-,22-,23-,25-,28-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ...				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50505557 (CHEMBL4527930) Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@H](C)C(OCCCCC#C)=CC1=O |r,c:43| Show InChI InChI=1S/C36H58N4O7/c1-12-14-15-16-19-46-29-22-32(42)40(27(29)9)31(41)18-17-26(8)37-34(43)28(20-23(3)4)38-35(44)30(21-24(5)6)47-36(45)33(39(10)11)25(7)13-2/h1,17-18,22-28,30,33H,13-16,19-21H2,2-11H3,(H,37,43)(H,38,44)/b18-17+/t25-,26-,27+,28-,30-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ...				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50505568 (CHEMBL4482954) Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](CC(C)C)C(OC)=CC1=O |r,c:41| Show InChI InChI=1S/C34H58N4O7/c1-13-23(8)31(37(10)11)34(43)45-28(18-22(6)7)33(42)36-25(16-20(2)3)32(41)35-24(9)14-15-29(39)38-26(17-21(4)5)27(44-12)19-30(38)40/h14-15,19-26,28,31H,13,16-18H2,1-12H3,(H,35,41)(H,36,42)/b15-14+/t23-,24-,25-,26-,28-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ...				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50505555 (CHEMBL4447348) Show SMILES COC1=CC(=O)N([C@H]1CC(C)C)C(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](C(C)C)N(C)C |r,t:2| Show InChI InChI=1S/C39H60N4O7/c1-24(2)19-30(41-38(47)33(21-26(5)6)50-39(48)36(27(7)8)42(9)10)37(46)40-29(22-28-15-13-12-14-16-28)17-18-34(44)43-31(20-25(3)4)32(49-11)23-35(43)45/h12-18,23-27,29-31,33,36H,19-22H2,1-11H3,(H,40,46)(H,41,47)/b18-17+/t29-,30+,31+,33+,36+/m1/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	0.632	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using fluorogenic substrate cbz-FR-AMC monitored for 90 to 120 mins by spectrophotometry				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50505562 (CHEMBL4445744) Show SMILES COC1=CC(=O)N([C@H]1Cc1ccccc1)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc1ccccc1)N(C)C |r,t:2| Show InChI InChI=1S/C40H54N4O7/c1-26(2)21-31(42-39(48)35(22-27(3)4)51-40(49)33(43(6)7)24-30-17-13-10-14-18-30)38(47)41-28(5)19-20-36(45)44-32(34(50-8)25-37(44)46)23-29-15-11-9-12-16-29/h9-20,25-28,31-33,35H,21-24H2,1-8H3,(H,41,47)(H,42,48)/b20-19+/t28-,31-,32-,33-,35-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.730	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ...				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50505554 (CHEMBL4564747) Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](Cc2ccccc2)C(OC)=CC1=O |r,c:45| Show InChI InChI=1S/C37H56N4O7/c1-11-25(6)34(40(8)9)37(46)48-31(20-24(4)5)36(45)39-28(19-23(2)3)35(44)38-26(7)17-18-32(42)41-29(30(47-10)22-33(41)43)21-27-15-13-12-14-16-27/h12-18,22-26,28-29,31,34H,11,19-21H2,1-10H3,(H,38,44)(H,39,45)/b18-17+/t25-,26-,28-,29-,31-,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ...				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50505557 (CHEMBL4527930) Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@H](C)C(OCCCCC#C)=CC1=O |r,c:43| Show InChI InChI=1S/C36H58N4O7/c1-12-14-15-16-19-46-29-22-32(42)40(27(29)9)31(41)18-17-26(8)37-34(43)28(20-23(3)4)38-35(44)30(21-24(5)6)47-36(45)33(39(10)11)25(7)13-2/h1,17-18,22-28,30,33H,13-16,19-21H2,2-11H3,(H,37,43)(H,38,44)/b18-17+/t25-,26-,27+,28-,30-,33-/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	0.790	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using fluorogenic substrate cbz-FR-AMC monitored for 90 to 120 mins by spectrophotometry				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50505563 (CHEMBL4527329) Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)\C=C\C(=O)N1[C@@H](C)C(OC)=CC1=O |r,c:45| Show InChI InChI=1S/C37H56N4O7/c1-11-25(6)34(40(8)9)37(46)48-31(20-24(4)5)36(45)39-29(19-23(2)3)35(44)38-28(21-27-15-13-12-14-16-27)17-18-32(42)41-26(7)30(47-10)22-33(41)43/h12-18,22-26,28-29,31,34H,11,19-21H2,1-10H3,(H,38,44)(H,39,45)/b18-17+/t25-,26-,28+,29-,31-,34-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ...				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50505566 (CHEMBL4582558) Show SMILES COC1=CC(=O)N([C@@H]1Cc1ccccc1)C(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc1ccccc1)N(C)C |r,t:2| Show InChI InChI=1S/C46H58N4O7/c1-31(2)25-37(48-45(54)41(26-32(3)4)57-46(55)39(49(5)6)29-35-21-15-10-16-22-35)44(53)47-36(27-33-17-11-8-12-18-33)23-24-42(51)50-38(40(56-7)30-43(50)52)28-34-19-13-9-14-20-34/h8-24,30-32,36-39,41H,25-29H2,1-7H3,(H,47,53)(H,48,54)/b24-23+/t36-,37+,38-,39+,41+/m1/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	1	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using fluorogenic substrate cbz-FR-AMC monitored for 90 to 120 mins by spectrophotometry				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50505559 (CHEMBL4441303) Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)\C=C\C(=O)N1[C@@H](CC(C)C)C(OC)=CC1=O |r,c:48| Show InChI InChI=1S/C40H62N4O7/c1-12-28(8)37(43(9)10)40(49)51-34(22-27(6)7)39(48)42-31(20-25(2)3)38(47)41-30(23-29-16-14-13-15-17-29)18-19-35(45)44-32(21-26(4)5)33(50-11)24-36(44)46/h13-19,24-28,30-32,34,37H,12,20-23H2,1-11H3,(H,41,47)(H,42,48)/b19-18+/t28-,30+,31-,32-,34-,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ...				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50505565 (CHEMBL4474668) Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)\C=C\C(=O)N1[C@H](Cc2ccccc2)C(OC)=CC1=O |r,c:52| Show InChI InChI=1S/C43H60N4O7/c1-10-30(6)40(46(7)8)43(52)54-37(24-29(4)5)42(51)45-34(23-28(2)3)41(50)44-33(25-31-17-13-11-14-18-31)21-22-38(48)47-35(36(53-9)27-39(47)49)26-32-19-15-12-16-20-32/h11-22,27-30,33-35,37,40H,10,23-26H2,1-9H3,(H,44,50)(H,45,51)/b22-21+/t30-,33+,34-,35+,37-,40-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ...				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50505564 (CHEMBL4527867) Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)\C=C\C(=O)N1[C@@H](Cc2ccccc2)C(OC)=CC1=O |r,c:52| Show InChI InChI=1S/C43H60N4O7/c1-10-30(6)40(46(7)8)43(52)54-37(24-29(4)5)42(51)45-34(23-28(2)3)41(50)44-33(25-31-17-13-11-14-18-31)21-22-38(48)47-35(36(53-9)27-39(47)49)26-32-19-15-12-16-20-32/h11-22,27-30,33-35,37,40H,10,23-26H2,1-9H3,(H,44,50)(H,45,51)/b22-21+/t30-,33+,34-,35-,37-,40-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ...				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50505561 (CHEMBL4475810) Show SMILES COC1=CC(=O)N([C@H]1C)C(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc1ccccc1)N(C)C |r,t:2| Show InChI InChI=1S/C40H54N4O7/c1-26(2)21-32(42-39(48)35(22-27(3)4)51-40(49)33(43(6)7)24-30-17-13-10-14-18-30)38(47)41-31(23-29-15-11-9-12-16-29)19-20-36(45)44-28(5)34(50-8)25-37(44)46/h9-20,25-28,31-33,35H,21-24H2,1-8H3,(H,41,47)(H,42,48)/b20-19+/t28-,31+,32-,33-,35-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ...				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50505560 (CHEMBL4471760) Show SMILES COC1=CC(=O)N([C@H]1Cc1ccccc1)C(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc1ccccc1)N(C)C |r,t:2| Show InChI InChI=1S/C46H58N4O7/c1-31(2)25-37(48-45(54)41(26-32(3)4)57-46(55)39(49(5)6)29-35-21-15-10-16-22-35)44(53)47-36(27-33-17-11-8-12-18-33)23-24-42(51)50-38(40(56-7)30-43(50)52)28-34-19-13-9-14-20-34/h8-24,30-32,36-39,41H,25-29H2,1-7H3,(H,47,53)(H,48,54)/b24-23+/t36-,37+,38+,39+,41+/m1/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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using fluorogenic substrate cbz-FR-AMC monitored for 90 to 120 mins by spectrophotometry				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50505560 (CHEMBL4471760) Show SMILES COC1=CC(=O)N([C@H]1Cc1ccccc1)C(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc1ccccc1)N(C)C |r,t:2| Show InChI InChI=1S/C46H58N4O7/c1-31(2)25-37(48-45(54)41(26-32(3)4)57-46(55)39(49(5)6)29-35-21-15-10-16-22-35)44(53)47-36(27-33-17-11-8-12-18-33)23-24-42(51)50-38(40(56-7)30-43(50)52)28-34-19-13-9-14-20-34/h8-24,30-32,36-39,41H,25-29H2,1-7H3,(H,47,53)(H,48,54)/b24-23+/t36-,37+,38+,39+,41+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ...				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50505562 (CHEMBL4445744) Show SMILES COC1=CC(=O)N([C@H]1Cc1ccccc1)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc1ccccc1)N(C)C |r,t:2| Show InChI InChI=1S/C40H54N4O7/c1-26(2)21-31(42-39(48)35(22-27(3)4)51-40(49)33(43(6)7)24-30-17-13-10-14-18-30)38(47)41-28(5)19-20-36(45)44-32(34(50-8)25-37(44)46)23-29-15-11-9-12-16-29/h9-20,25-28,31-33,35H,21-24H2,1-8H3,(H,41,47)(H,42,48)/b20-19+/t28-,31-,32-,33-,35-/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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using fluorogenic substrate cbz-FR-AMC monitored for 90 to 120 mins by spectrophotometry				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50505568 (CHEMBL4482954) Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](CC(C)C)C(OC)=CC1=O |r,c:41| Show InChI InChI=1S/C34H58N4O7/c1-13-23(8)31(37(10)11)34(43)45-28(18-22(6)7)33(42)36-25(16-20(2)3)32(41)35-24(9)14-15-29(39)38-26(17-21(4)5)27(44-12)19-30(38)40/h14-15,19-26,28,31H,13,16-18H2,1-12H3,(H,35,41)(H,36,42)/b15-14+/t23-,24-,25-,26-,28-,31-/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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using fluorogenic substrate cbz-FR-AMC monitored for 90 to 120 mins by spectrophotometry				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50505565 (CHEMBL4474668) Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)\C=C\C(=O)N1[C@H](Cc2ccccc2)C(OC)=CC1=O |r,c:52| Show InChI InChI=1S/C43H60N4O7/c1-10-30(6)40(46(7)8)43(52)54-37(24-29(4)5)42(51)45-34(23-28(2)3)41(50)44-33(25-31-17-13-11-14-18-31)21-22-38(48)47-35(36(53-9)27-39(47)49)26-32-19-15-12-16-20-32/h11-22,27-30,33-35,37,40H,10,23-26H2,1-9H3,(H,44,50)(H,45,51)/b22-21+/t30-,33+,34-,35+,37-,40-/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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using fluorogenic substrate cbz-FR-AMC monitored for 90 to 120 mins by spectrophotometry				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50505567 (CHEMBL4457500) Show SMILES COC1=CC(=O)N([C@H]1C)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](C(C)C)N(C)C |r,t:2| Show InChI InChI=1S/C30H50N4O7/c1-17(2)14-22(32-29(38)24(15-18(3)4)41-30(39)27(19(5)6)33(9)10)28(37)31-20(7)12-13-25(35)34-21(8)23(40-11)16-26(34)36/h12-13,16-22,24,27H,14-15H2,1-11H3,(H,31,37)(H,32,38)/b13-12+/t20-,21-,22-,24-,27-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ...				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50505564 (CHEMBL4527867) Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)\C=C\C(=O)N1[C@@H](Cc2ccccc2)C(OC)=CC1=O |r,c:52| Show InChI InChI=1S/C43H60N4O7/c1-10-30(6)40(46(7)8)43(52)54-37(24-29(4)5)42(51)45-34(23-28(2)3)41(50)44-33(25-31-17-13-11-14-18-31)21-22-38(48)47-35(36(53-9)27-39(47)49)26-32-19-15-12-16-20-32/h11-22,27-30,33-35,37,40H,10,23-26H2,1-9H3,(H,44,50)(H,45,51)/b22-21+/t30-,33+,34-,35-,37-,40-/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	3.10	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using fluorogenic substrate cbz-FR-AMC monitored for 90 to 120 mins by spectrophotometry				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50505563 (CHEMBL4527329) Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)\C=C\C(=O)N1[C@@H](C)C(OC)=CC1=O |r,c:45| Show InChI InChI=1S/C37H56N4O7/c1-11-25(6)34(40(8)9)37(46)48-31(20-24(4)5)36(45)39-29(19-23(2)3)35(44)38-28(21-27-15-13-12-14-16-27)17-18-32(42)41-26(7)30(47-10)22-33(41)43/h12-18,22-26,28-29,31,34H,11,19-21H2,1-10H3,(H,38,44)(H,39,45)/b18-17+/t25-,26-,28+,29-,31-,34-/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	3.5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using fluorogenic substrate cbz-FR-AMC monitored for 90 to 120 mins by spectrophotometry				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50505561 (CHEMBL4475810) Show SMILES COC1=CC(=O)N([C@H]1C)C(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc1ccccc1)N(C)C |r,t:2| Show InChI InChI=1S/C40H54N4O7/c1-26(2)21-32(42-39(48)35(22-27(3)4)51-40(49)33(43(6)7)24-30-17-13-10-14-18-30)38(47)41-31(23-29-15-11-9-12-16-29)19-20-36(45)44-28(5)34(50-8)25-37(44)46/h9-20,25-28,31-33,35H,21-24H2,1-8H3,(H,41,47)(H,42,48)/b20-19+/t28-,31+,32-,33-,35-/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	3.5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using fluorogenic substrate cbz-FR-AMC monitored for 90 to 120 mins by spectrophotometry				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50505566 (CHEMBL4582558) Show SMILES COC1=CC(=O)N([C@@H]1Cc1ccccc1)C(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc1ccccc1)N(C)C |r,t:2| Show InChI InChI=1S/C46H58N4O7/c1-31(2)25-37(48-45(54)41(26-32(3)4)57-46(55)39(49(5)6)29-35-21-15-10-16-22-35)44(53)47-36(27-33-17-11-8-12-18-33)23-24-42(51)50-38(40(56-7)30-43(50)52)28-34-19-13-9-14-20-34/h8-24,30-32,36-39,41H,25-29H2,1-7H3,(H,47,53)(H,48,54)/b24-23+/t36-,37+,38-,39+,41+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ...				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50337114 (2'-((1R)-1-{(2R)-3-[2-Methyl-1-(naphthalen-2-yl)pr...) Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C32H35NO4/c1-22(29-10-6-7-11-30(29)25-14-16-26(17-15-25)31(35)36)37-21-28(34)20-33-32(2,3)19-23-12-13-24-8-4-5-9-27(24)18-23/h4-18,22,28,33-34H,19-21H2,1-3H3,(H,35,36)/t22-,28-/m1/s1	PDB UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50505554 (CHEMBL4564747) Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](Cc2ccccc2)C(OC)=CC1=O |r,c:45| Show InChI InChI=1S/C37H56N4O7/c1-11-25(6)34(40(8)9)37(46)48-31(20-24(4)5)36(45)39-28(19-23(2)3)35(44)38-26(7)17-18-32(42)41-29(30(47-10)22-33(41)43)21-27-15-13-12-14-16-27/h12-18,22-26,28-29,31,34H,11,19-21H2,1-10H3,(H,38,44)(H,39,45)/b18-17+/t25-,26-,28-,29-,31-,34-/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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using fluorogenic substrate cbz-FR-AMC monitored for 90 to 120 mins by spectrophotometry				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50033762 (Gallinamide A) Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](C)C(OC)=CC1=O |r,c:38| Show InChI InChI=1S/C31H52N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h13-14,17-23,25,28H,12,15-16H2,1-11H3,(H,32,38)(H,33,39)/b14-13+/t20-,21-,22-,23-,25-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using fluorogenic substrate cbz-FR-AMC monitored for 90 to 120 mins by spectrophotometry				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50033762 (Gallinamide A) Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](C)C(OC)=CC1=O |r,c:38| Show InChI InChI=1S/C31H52N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h13-14,17-23,25,28H,12,15-16H2,1-11H3,(H,32,38)(H,33,39)/b14-13+/t20-,21-,22-,23-,25-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50337116 (2'-((1R)-1-{(2R)-3-[2-methyl-1-(naphthalen-2-yl)pr...) Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1-c1ccc(C(O)=O)c(C)c1 |r| Show InChI InChI=1S/C33H37NO4/c1-22-17-27(15-16-29(22)32(36)37)31-12-8-7-11-30(31)23(2)38-21-28(35)20-34-33(3,4)19-24-13-14-25-9-5-6-10-26(25)18-24/h5-18,23,28,34-35H,19-21H2,1-4H3,(H,36,37)/t23-,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50505567 (CHEMBL4457500) Show SMILES COC1=CC(=O)N([C@H]1C)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](C(C)C)N(C)C |r,t:2| Show InChI InChI=1S/C30H50N4O7/c1-17(2)14-22(32-29(38)24(15-18(3)4)41-30(39)27(19(5)6)33(9)10)28(37)31-20(7)12-13-25(35)34-21(8)23(40-11)16-26(34)36/h12-13,16-22,24,27H,14-15H2,1-11H3,(H,31,37)(H,32,38)/b13-12+/t20-,21-,22-,24-,27-/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	6.60	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using fluorogenic substrate cbz-FR-AMC monitored for 90 to 120 mins by spectrophotometry				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50337113 ((RS)-2'-(1-{(2R)-3-[2-Methyl-1-(naphthalen-2-yl)pr...) Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C32H35NO4/c1-22(29-10-6-7-11-30(29)25-14-16-26(17-15-25)31(35)36)37-21-28(34)20-33-32(2,3)19-23-12-13-24-8-4-5-9-27(24)18-23/h4-18,22,28,33-34H,19-21H2,1-3H3,(H,35,36)/t22?,28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50337103 (2'-((1R)-1-{(2R)-3-[1-(4-Chloro-3-fluorophenyl)-2-...) Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)c(F)c1)c1ccccc1-c1ccc(C(O)=O)c(C)c1 |r| Show InChI InChI=1S/C29H33ClFNO4/c1-18-13-21(10-11-23(18)28(34)35)25-8-6-5-7-24(25)19(2)36-17-22(33)16-32-29(3,4)15-20-9-12-26(30)27(31)14-20/h5-14,19,22,32-33H,15-17H2,1-4H3,(H,34,35)/t19-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50337112 ((RS)-3'-(1-{(2R)-3-[2-Methyl-1-(naphthalen-2-yl)pr...) Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1cccc(c1)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C32H35NO4/c1-22(27-9-6-10-29(18-27)25-13-15-26(16-14-25)31(35)36)37-21-30(34)20-33-32(2,3)19-23-11-12-24-7-4-5-8-28(24)17-23/h4-18,22,30,33-34H,19-21H2,1-3H3,(H,35,36)/t22?,30-/m1/s1	PDB UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50337105 ((R)-1-((R)-cyclopropyl(2-(hydroxymethyl)phenyl)met...) Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)CO[C@H](C1CC1)c1ccccc1CO |r| Show InChI InChI=1S/C28H35NO3/c1-28(2,16-20-11-12-21-7-3-4-8-23(21)15-20)29-17-25(31)19-32-27(22-13-14-22)26-10-6-5-9-24(26)18-30/h3-12,15,22,25,27,29-31H,13-14,16-19H2,1-2H3/t25-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50337115 (2'-((1R)-1-{(2R)-3-[1-(4-Chloro-3-fluorophenyl)-2-...) Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)c(F)c1)c1ccccc1-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C28H31ClFNO4/c1-18(23-6-4-5-7-24(23)20-9-11-21(12-10-20)27(33)34)35-17-22(32)16-31-28(2,3)15-19-8-13-25(29)26(30)14-19/h4-14,18,22,31-32H,15-17H2,1-3H3,(H,33,34)/t18-,22-/m1/s1	PDB UniProtKB/SwissProt 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
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50320009 ((R)-1-((R)-cyclopropyl(o-tolyl)methoxy)-3-(2-methy...) Show SMILES Cc1ccccc1[C@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 |r| Show InChI InChI=1S/C28H35NO2/c1-20-8-4-7-11-26(20)27(23-14-15-23)31-19-25(30)18-29-28(2,3)17-21-12-13-22-9-5-6-10-24(22)16-21/h4-13,16,23,25,27,29-30H,14-15,17-19H2,1-3H3/t25-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50320009 ((R)-1-((R)-cyclopropyl(o-tolyl)methoxy)-3-(2-methy...) Show SMILES Cc1ccccc1[C@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 |r| Show InChI InChI=1S/C28H35NO2/c1-20-8-4-7-11-26(20)27(23-14-15-23)31-19-25(30)18-29-28(2,3)17-21-12-13-22-9-5-6-10-24(22)16-21/h4-13,16,23,25,27,29-30H,14-15,17-19H2,1-3H3/t25-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay				Bioorg Med Chem Lett 20: 3809-13 (2010) Article DOI: 10.1016/j.bmcl.2010.04.035 BindingDB Entry DOI: 10.7270/Q2765FGD
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50337104 (3-[2-((1R)-1-{(2R)-2-Hydroxy-3-[2-methyl-1-(naphth...) Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1CCC(O)=O |r| Show InChI InChI=1S/C28H35NO4/c1-20(26-11-7-6-9-23(26)14-15-27(31)32)33-19-25(30)18-29-28(2,3)17-21-12-13-22-8-4-5-10-24(22)16-21/h4-13,16,20,25,29-30H,14-15,17-19H2,1-3H3,(H,31,32)/t20-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay				ACS Med Chem Lett 2: 238-242 (2011) Article DOI: 10.1021/ml100268k BindingDB Entry DOI: 10.7270/Q21R6QT7
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50161093 ((R)-2-chloro-6-(2-hydroxy-3-(2-methyl-1-(naphthale...) Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N |r| Show InChI InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay				Bioorg Med Chem Lett 20: 3809-13 (2010) Article DOI: 10.1016/j.bmcl.2010.04.035 BindingDB Entry DOI: 10.7270/Q2765FGD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cruzipain (Trypanosoma cruzi)	BDBM50505558 (CHEMBL4514842) Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)\C=C\C(=O)N1[C@H](Cc2ccccc2)C(OC)=CC1=O |r,c:52| Show InChI InChI=1S/C43H60N4O7/c1-10-30(6)40(46(7)8)43(52)54-37(24-29(4)5)42(51)45-34(23-28(2)3)41(50)44-33(25-31-17-13-11-14-18-31)21-22-38(48)47-35(36(53-9)27-39(47)49)26-32-19-15-12-16-20-32/h11-22,27-30,33-35,37,40H,10,23-26H2,1-9H3,(H,44,50)(H,45,51)/b22-21+/t30-,33-,34-,35+,37-,40-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ...				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50320009 ((R)-1-((R)-cyclopropyl(o-tolyl)methoxy)-3-(2-methy...) Show SMILES Cc1ccccc1[C@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 |r| Show InChI InChI=1S/C28H35NO2/c1-20-8-4-7-11-26(20)27(23-14-15-23)31-19-25(30)18-29-28(2,3)17-21-12-13-22-9-5-6-10-24(22)16-21/h4-13,16,23,25,27,29-30H,14-15,17-19H2,1-3H3/t25-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay				Bioorg Med Chem Lett 20: 3809-13 (2010) Article DOI: 10.1016/j.bmcl.2010.04.035 BindingDB Entry DOI: 10.7270/Q2765FGD
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50320018 ((2R)-1-(cyclopropyl(2-methoxyphenyl)methoxy)-3-(2-...) Show SMILES COc1ccccc1C(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 |r| Show InChI InChI=1S/C28H35NO3/c1-28(2,17-20-12-13-21-8-4-5-9-23(21)16-20)29-18-24(30)19-32-27(22-14-15-22)25-10-6-7-11-26(25)31-3/h4-13,16,22,24,27,29-30H,14-15,17-19H2,1-3H3/t24-,27?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay				Bioorg Med Chem Lett 20: 3809-13 (2010) Article DOI: 10.1016/j.bmcl.2010.04.035 BindingDB Entry DOI: 10.7270/Q2765FGD
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50320011 ((2R)-1-(cyclopropyl(phenyl)methoxy)-3-(2-methyl-1-...) Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(C1CC1)c1ccccc1 |r| Show InChI InChI=1S/C27H33NO2/c1-27(2,17-20-12-13-21-8-6-7-11-24(21)16-20)28-18-25(29)19-30-26(23-14-15-23)22-9-4-3-5-10-22/h3-13,16,23,25-26,28-29H,14-15,17-19H2,1-2H3/t25-,26?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay				Bioorg Med Chem Lett 20: 3809-13 (2010) Article DOI: 10.1016/j.bmcl.2010.04.035 BindingDB Entry DOI: 10.7270/Q2765FGD
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50320012 ((2R)-1-(cyclobutyl(phenyl)methoxy)-3-(2-methyl-1-(...) Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(C1CCC1)c1ccccc1 |r| Show InChI InChI=1S/C28H35NO2/c1-28(2,18-21-15-16-22-9-6-7-12-25(22)17-21)29-19-26(30)20-31-27(24-13-8-14-24)23-10-4-3-5-11-23/h3-7,9-12,15-17,24,26-27,29-30H,8,13-14,18-20H2,1-2H3/t26-,27?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay				Bioorg Med Chem Lett 20: 3809-13 (2010) Article DOI: 10.1016/j.bmcl.2010.04.035 BindingDB Entry DOI: 10.7270/Q2765FGD
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50505558 (CHEMBL4514842) Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)\C=C\C(=O)N1[C@H](Cc2ccccc2)C(OC)=CC1=O |r,c:52| Show InChI InChI=1S/C43H60N4O7/c1-10-30(6)40(46(7)8)43(52)54-37(24-29(4)5)42(51)45-34(23-28(2)3)41(50)44-33(25-31-17-13-11-14-18-31)21-22-38(48)47-35(36(53-9)27-39(47)49)26-32-19-15-12-16-20-32/h11-22,27-30,33-35,37,40H,10,23-26H2,1-9H3,(H,44,50)(H,45,51)/b22-21+/t30-,33-,34-,35+,37-,40-/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	77	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using fluorogenic substrate cbz-FR-AMC monitored for 90 to 120 mins by spectrophotometry				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50505556 (CHEMBL4468530) Show SMILES CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)\C=C\C(=O)N1[C@@H](Cc2ccccc2)C(OC)=CC1=O |r,c:52| Show InChI InChI=1S/C43H60N4O7/c1-10-30(6)40(46(7)8)43(52)54-37(24-29(4)5)42(51)45-34(23-28(2)3)41(50)44-33(25-31-17-13-11-14-18-31)21-22-38(48)47-35(36(53-9)27-39(47)49)26-32-19-15-12-16-20-32/h11-22,27-30,33-35,37,40H,10,23-26H2,1-9H3,(H,44,50)(H,45,51)/b22-21+/t30-,33-,34-,35-,37-,40-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
The University of Jordan Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi Cruzain expressed in Pichia pastoris using Z-Phe-Arg-AMC substrate incubated for 30 mins by fluorescence ...				J Med Chem 62: 9026-9044 (2019) Article DOI: 10.1021/acs.jmedchem.9b00294 BindingDB Entry DOI: 10.7270/Q2H998GC
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50320019 ((R)-1-((S)-cyclopropyl(o-tolyl)methoxy)-3-(2-methy...) Show SMILES Cc1ccccc1[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 |r| Show InChI InChI=1S/C28H35NO2/c1-20-8-4-7-11-26(20)27(23-14-15-23)31-19-25(30)18-29-28(2,3)17-21-12-13-22-9-5-6-10-24(22)16-21/h4-13,16,23,25,27,29-30H,14-15,17-19H2,1-3H3/t25-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay				Bioorg Med Chem Lett 20: 3809-13 (2010) Article DOI: 10.1016/j.bmcl.2010.04.035 BindingDB Entry DOI: 10.7270/Q2765FGD
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50319998 ((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...) Show SMILES CCC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1 |r| Show InChI InChI=1S/C26H33NO2/c1-4-25(22-11-6-5-7-12-22)29-19-24(28)18-27-26(2,3)17-20-14-15-21-10-8-9-13-23(21)16-20/h5-16,24-25,27-28H,4,17-19H2,1-3H3/t24-,25?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay				Bioorg Med Chem Lett 20: 3809-13 (2010) Article DOI: 10.1016/j.bmcl.2010.04.035 BindingDB Entry DOI: 10.7270/Q2765FGD
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50320008 ((2R)-1-(1-(2-methoxyphenyl)ethoxy)-3-(2-methyl-1-(...) Show SMILES COc1ccccc1C(C)OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1 |r| Show InChI InChI=1S/C26H33NO3/c1-19(24-11-7-8-12-25(24)29-4)30-18-23(28)17-27-26(2,3)16-20-13-14-21-9-5-6-10-22(21)15-20/h5-15,19,23,27-28H,16-18H2,1-4H3/t19?,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay				Bioorg Med Chem Lett 20: 3809-13 (2010) Article DOI: 10.1016/j.bmcl.2010.04.035 BindingDB Entry DOI: 10.7270/Q2765FGD
					More data for this Ligand-Target Pair

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