Compile Data Set for Download or QSAR

Found 87 hits with Last Name = 'girardot' and Initial = 'm'   

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
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50159379 ((R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda*6*-...) Show SMILES Fc1cn(C[C@H]2CN(C(=O)O2)c2ccc(C3=CCS(=O)(=O)CC3)c(F)c2)nn1 |t:16| Show InChI InChI=1S/C17H16F2N4O4S/c18-15-7-12(1-2-14(15)11-3-5-28(25,26)6-4-11)23-9-13(27-17(23)24)8-22-10-16(19)20-21-22/h1-3,7,10,13H,4-6,8-9H2/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Discovery Curated by ChEMBL					Assay Description Binding affinity for human liver monoamine oxidase A				J Med Chem 48: 499-506 (2005) Article DOI: 10.1021/jm0400810 BindingDB Entry DOI: 10.7270/Q2VH5NBS
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50159388 ((R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda*6*-...) Show SMILES Fc1cnnn1C[C@H]1CN(C(=O)O1)c1ccc(C2=CCS(=O)(=O)CC2)c(F)c1 |t:19| Show InChI InChI=1S/C17H16F2N4O4S/c18-15-7-12(1-2-14(15)11-3-5-28(25,26)6-4-11)22-9-13(27-17(22)24)10-23-16(19)8-20-21-23/h1-3,7-8,13H,4-6,9-10H2/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Discovery Curated by ChEMBL					Assay Description Binding affinity for human liver monoamine oxidase A				J Med Chem 48: 499-506 (2005) Article DOI: 10.1021/jm0400810 BindingDB Entry DOI: 10.7270/Q2VH5NBS
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50159382 ((R)-5-(4-Chloro-[1,2,3]triazol-1-ylmethyl)-3-[4-(1...) Show SMILES Fc1cc(ccc1C1=CCS(=O)(=O)CC1)N1C[C@H](Cn2cc(Cl)nn2)OC1=O |t:8| Show InChI InChI=1S/C17H16ClFN4O4S/c18-16-10-22(21-20-16)8-13-9-23(17(24)27-13)12-1-2-14(15(19)7-12)11-3-5-28(25,26)6-4-11/h1-3,7,10,13H,4-6,8-9H2/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Discovery Curated by ChEMBL					Assay Description Binding affinity for human liver monoamine oxidase A				J Med Chem 48: 499-506 (2005) Article DOI: 10.1021/jm0400810 BindingDB Entry DOI: 10.7270/Q2VH5NBS
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50159372 (1-{(R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda*...) Show SMILES Fc1cc(ccc1C1=CCS(=O)(=O)CC1)N1C[C@H](Cn2cc(C=O)nn2)OC1=O |t:8| Show InChI InChI=1S/C18H17FN4O5S/c19-17-7-14(1-2-16(17)12-3-5-29(26,27)6-4-12)23-10-15(28-18(23)25)9-22-8-13(11-24)20-21-22/h1-3,7-8,11,15H,4-6,9-10H2/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Discovery Curated by ChEMBL					Assay Description Binding affinity for human liver monoamine oxidase A				J Med Chem 48: 499-506 (2005) Article DOI: 10.1021/jm0400810 BindingDB Entry DOI: 10.7270/Q2VH5NBS
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50159385 ((R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda*6*-...) Show SMILES Fc1cc(ccc1C1=CCS(=O)(=O)CC1)N1C[C@H](Cn2ccnn2)OC1=O |t:8| Show InChI InChI=1S/C17H17FN4O4S/c18-16-9-13(1-2-15(16)12-3-7-27(24,25)8-4-12)22-11-14(26-17(22)23)10-21-6-5-19-20-21/h1-3,5-6,9,14H,4,7-8,10-11H2/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Discovery Curated by ChEMBL					Assay Description Binding affinity for human liver monoamine oxidase A				J Med Chem 48: 499-506 (2005) Article DOI: 10.1021/jm0400810 BindingDB Entry DOI: 10.7270/Q2VH5NBS
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50159370 (1-{(R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda*...) Show SMILES CC(C)(C)OC(=O)c1cn(C[C@H]2CN(C(=O)O2)c2ccc(C3=CCS(=O)(=O)CC3)c(F)c2)nn1 |t:22| Show InChI InChI=1S/C22H25FN4O6S/c1-22(2,3)33-20(28)19-13-26(25-24-19)11-16-12-27(21(29)32-16)15-4-5-17(18(23)10-15)14-6-8-34(30,31)9-7-14/h4-6,10,13,16H,7-9,11-12H2,1-3H3/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Discovery Curated by ChEMBL					Assay Description Binding affinity for human liver monoamine oxidase A				J Med Chem 48: 499-506 (2005) Article DOI: 10.1021/jm0400810 BindingDB Entry DOI: 10.7270/Q2VH5NBS
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50159380 ((R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda*6*-...) Show SMILES Cc1cnnn1C[C@H]1CN(C(=O)O1)c1ccc(C2=CCS(=O)(=O)CC2)c(F)c1 |t:19| Show InChI InChI=1S/C18H19FN4O4S/c1-12-9-20-21-23(12)11-15-10-22(18(24)27-15)14-2-3-16(17(19)8-14)13-4-6-28(25,26)7-5-13/h2-4,8-9,15H,5-7,10-11H2,1H3/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Discovery Curated by ChEMBL					Assay Description Binding affinity for human liver monoamine oxidase A				J Med Chem 48: 499-506 (2005) Article DOI: 10.1021/jm0400810 BindingDB Entry DOI: 10.7270/Q2VH5NBS
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50159375 (CHEMBL179191 | N-{(S)-3-[4-(1,1-Dioxo-1,2,3,6-tetr...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(C2=CCS(=O)(=O)CC2)c(F)c1 |t:16| Show InChI InChI=1S/C17H19FN2O5S/c1-11(21)19-9-14-10-20(17(22)25-14)13-2-3-15(16(18)8-13)12-4-6-26(23,24)7-5-12/h2-4,8,14H,5-7,9-10H2,1H3,(H,19,21)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Discovery Curated by ChEMBL					Assay Description Binding affinity for human liver monoamine oxidase A				J Med Chem 48: 499-506 (2005) Article DOI: 10.1021/jm0400810 BindingDB Entry DOI: 10.7270/Q2VH5NBS
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50159378 ((R)-5-(4-Bromo-[1,2,3]triazol-1-ylmethyl)-3-[4-(1,...) Show SMILES Fc1cc(ccc1C1=CCS(=O)(=O)CC1)N1C[C@H](Cn2cc(Br)nn2)OC1=O |t:8| Show InChI InChI=1S/C17H16BrFN4O4S/c18-16-10-22(21-20-16)8-13-9-23(17(24)27-13)12-1-2-14(15(19)7-12)11-3-5-28(25,26)6-4-11/h1-3,7,10,13H,4-6,8-9H2/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Discovery Curated by ChEMBL					Assay Description Binding affinity for human liver monoamine oxidase A				J Med Chem 48: 499-506 (2005) Article DOI: 10.1021/jm0400810 BindingDB Entry DOI: 10.7270/Q2VH5NBS
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50159386 ((R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda*6*-...) Show SMILES Cc1cn(C[C@H]2CN(C(=O)O2)c2ccc(C3=CCS(=O)(=O)CC3)c(F)c2)nn1 |t:16| Show InChI InChI=1S/C18H19FN4O4S/c1-12-9-22(21-20-12)10-15-11-23(18(24)27-15)14-2-3-16(17(19)8-14)13-4-6-28(25,26)7-5-13/h2-4,8-9,15H,5-7,10-11H2,1H3/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Discovery Curated by ChEMBL					Assay Description Binding affinity for human liver monoamine oxidase A				J Med Chem 48: 499-506 (2005) Article DOI: 10.1021/jm0400810 BindingDB Entry DOI: 10.7270/Q2VH5NBS
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50159374 ((R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda*6*-...) Show SMILES OCc1cn(C[C@H]2CN(C(=O)O2)c2ccc(C3=CCS(=O)(=O)CC3)c(F)c2)nn1 |t:17| Show InChI InChI=1S/C18H19FN4O5S/c19-17-7-14(1-2-16(17)12-3-5-29(26,27)6-4-12)23-10-15(28-18(23)25)9-22-8-13(11-24)20-21-22/h1-3,7-8,15,24H,4-6,9-11H2/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Discovery Curated by ChEMBL					Assay Description Binding affinity for human liver monoamine oxidase A				J Med Chem 48: 499-506 (2005) Article DOI: 10.1021/jm0400810 BindingDB Entry DOI: 10.7270/Q2VH5NBS
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50159371 (CHEMBL360090 | Phosphoric acid 1-{(R)-3-[4-(1,1-di...) Show SMILES Fc1cc(ccc1C1=CCS(=O)(=O)CC1)N1C[C@H](Cn2cc(COP(=O)(Oc3ccccc3)Oc3ccccc3)nn2)OC1=O |t:8| Show InChI InChI=1S/C30H28FN4O8PS/c31-29-17-24(11-12-28(29)22-13-15-45(38,39)16-14-22)35-20-27(41-30(35)36)19-34-18-23(32-33-34)21-40-44(37,42-25-7-3-1-4-8-25)43-26-9-5-2-6-10-26/h1-13,17-18,27H,14-16,19-21H2/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Discovery Curated by ChEMBL					Assay Description Binding affinity for human liver monoamine oxidase A				J Med Chem 48: 499-506 (2005) Article DOI: 10.1021/jm0400810 BindingDB Entry DOI: 10.7270/Q2VH5NBS
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50159373 ((R)-5-[4-(2,2-Dibromo-vinyl)-[1,2,3]triazol-1-ylme...) Show SMILES Fc1cc(ccc1-[#6]-1=[#6]-[#6]S(=O)(=O)[#6]-[#6]-1)-[#7]-1-[#6]-[#6@H](-[#6]-n2cc(\[#6]=[#6](/Br)Br)nn2)-[#8]-[#6]-1=O |t:8| Show InChI InChI=1S/C19H17Br2FN4O4S/c20-18(21)7-13-9-25(24-23-13)10-15-11-26(19(27)30-15)14-1-2-16(17(22)8-14)12-3-5-31(28,29)6-4-12/h1-3,7-9,15H,4-6,10-11H2/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Discovery Curated by ChEMBL					Assay Description Binding affinity for human liver monoamine oxidase A				J Med Chem 48: 499-506 (2005) Article DOI: 10.1021/jm0400810 BindingDB Entry DOI: 10.7270/Q2VH5NBS
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50159377 ((R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda*6*-...) Show SMILES CC(C)c1cn(C[C@H]2CN(C(=O)O2)c2ccc(C3=CCS(=O)(=O)CC3)c(F)c2)nn1 |t:18| Show InChI InChI=1S/C20H23FN4O4S/c1-13(2)19-12-24(23-22-19)10-16-11-25(20(26)29-16)15-3-4-17(18(21)9-15)14-5-7-30(27,28)8-6-14/h3-5,9,12-13,16H,6-8,10-11H2,1-2H3/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.02E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Discovery Curated by ChEMBL					Assay Description Binding affinity for human liver monoamine oxidase A				J Med Chem 48: 499-506 (2005) Article DOI: 10.1021/jm0400810 BindingDB Entry DOI: 10.7270/Q2VH5NBS
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50159384 ((R)-5-[4-((E)-2-Bromo-vinyl)-[1,2,3]triazol-1-ylme...) Show SMILES Fc1cc(ccc1C1=CCS(=O)(=O)CC1)N1C[C@H](Cn2cc(\C=C\Br)nn2)OC1=O |t:8| Show InChI InChI=1S/C19H18BrFN4O4S/c20-6-3-14-10-24(23-22-14)11-16-12-25(19(26)29-16)15-1-2-17(18(21)9-15)13-4-7-30(27,28)8-5-13/h1-4,6,9-10,16H,5,7-8,11-12H2/b6-3+/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Discovery Curated by ChEMBL					Assay Description Binding affinity for human liver monoamine oxidase A				J Med Chem 48: 499-506 (2005) Article DOI: 10.1021/jm0400810 BindingDB Entry DOI: 10.7270/Q2VH5NBS
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50159387 ((1-{(R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda...) Show SMILES Fc1cc(ccc1C1=CCS(=O)(=O)CC1)N1C[C@H](Cn2cc(CC#N)nn2)OC1=O |t:8| Show InChI InChI=1S/C19H18FN5O4S/c20-18-9-15(1-2-17(18)13-4-7-30(27,28)8-5-13)25-12-16(29-19(25)26)11-24-10-14(3-6-21)22-23-24/h1-2,4,9-10,16H,3,5,7-8,11-12H2/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Discovery Curated by ChEMBL					Assay Description Binding affinity for human liver monoamine oxidase A				J Med Chem 48: 499-506 (2005) Article DOI: 10.1021/jm0400810 BindingDB Entry DOI: 10.7270/Q2VH5NBS
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50159383 ((R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda*6*-...) Show SMILES CCc1cn(C[C@H]2CN(C(=O)O2)c2ccc(C3=CCS(=O)(=O)CC3)c(F)c2)nn1 |t:17| Show InChI InChI=1S/C19H21FN4O4S/c1-2-14-10-23(22-21-14)11-16-12-24(19(25)28-16)15-3-4-17(18(20)9-15)13-5-7-29(26,27)8-6-13/h3-5,9-10,16H,2,6-8,11-12H2,1H3/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Discovery Curated by ChEMBL					Assay Description Binding affinity for human liver monoamine oxidase A				J Med Chem 48: 499-506 (2005) Article DOI: 10.1021/jm0400810 BindingDB Entry DOI: 10.7270/Q2VH5NBS
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50159376 ((R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda*6*-...) Show SMILES C[Si](C)(C)C#Cc1cn(C[C@H]2CN(C(=O)O2)c2ccc(C3=CCS(=O)(=O)CC3)c(F)c2)nn1 |t:21| Show InChI InChI=1S/C22H25FN4O4SSi/c1-33(2,3)11-8-17-13-26(25-24-17)14-19-15-27(22(28)31-19)18-4-5-20(21(23)12-18)16-6-9-32(29,30)10-7-16/h4-6,12-13,19H,7,9-10,14-15H2,1-3H3/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Discovery Curated by ChEMBL					Assay Description Binding affinity for human liver monoamine oxidase A				J Med Chem 48: 499-506 (2005) Article DOI: 10.1021/jm0400810 BindingDB Entry DOI: 10.7270/Q2VH5NBS
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50159381 ((R)-3-[4-(1,1-Dioxo-1,2,3,6-tetrahydro-1lambda*6*-...) Show SMILES Fc1cc(ccc1C1=CCS(=O)(=O)CC1)N1C[C@H](Cn2cc(nn2)C#C)OC1=O |t:8| Show InChI InChI=1S/C19H17FN4O4S/c1-2-14-10-23(22-21-14)11-16-12-24(19(25)28-16)15-3-4-17(18(20)9-15)13-5-7-29(26,27)8-6-13/h1,3-5,9-10,16H,6-8,11-12H2/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Discovery Curated by ChEMBL					Assay Description Binding affinity for human liver monoamine oxidase A				J Med Chem 48: 499-506 (2005) Article DOI: 10.1021/jm0400810 BindingDB Entry DOI: 10.7270/Q2VH5NBS
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121542 (CHEMBL155560 | Thiophene-2-carboxylic acid {1-[(be...) Show SMILES O=C(N[C@@H](COCc1ccccc1)C#N)[C@H](CC1CCCCC1)NC(=O)c1cccs1 Show InChI InChI=1S/C24H29N3O3S/c25-15-20(17-30-16-19-10-5-2-6-11-19)26-23(28)21(14-18-8-3-1-4-9-18)27-24(29)22-12-7-13-31-22/h2,5-7,10-13,18,20-21H,1,3-4,8-9,14,16-17H2,(H,26,28)(H,27,29)/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121562 (CHEMBL153239 | Morpholine-4-carboxylic acid [1-(1-...) Show SMILES O=C(N[C@@H](CCc1ccccc1)C#N)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 Show InChI InChI=1S/C24H34N4O3/c25-18-21(12-11-19-7-3-1-4-8-19)26-23(29)22(17-20-9-5-2-6-10-20)27-24(30)28-13-15-31-16-14-28/h1,3-4,7-8,20-22H,2,5-6,9-17H2,(H,26,29)(H,27,30)/t21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121554 (CHEMBL356155 | N-{1-[(Benzyloxymethyl-cyano-methyl...) Show SMILES O=C(N[C@@H](COCc1ccccc1)C#N)[C@H](CC1CCCCC1)NC(=O)c1ccncc1 Show InChI InChI=1S/C25H30N4O3/c26-16-22(18-32-17-20-9-5-2-6-10-20)28-25(31)23(15-19-7-3-1-4-8-19)29-24(30)21-11-13-27-14-12-21/h2,5-6,9-14,19,22-23H,1,3-4,7-8,15,17-18H2,(H,28,31)(H,29,30)/t22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121549 (CHEMBL347111 | Morpholine-4-carboxylic acid {1-[(b...) Show SMILES O=C(N[C@@H](COCc1ccccc1)C#N)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 Show InChI InChI=1S/C24H34N4O4/c25-16-21(18-32-17-20-9-5-2-6-10-20)26-23(29)22(15-19-7-3-1-4-8-19)27-24(30)28-11-13-31-14-12-28/h2,5-6,9-10,19,21-22H,1,3-4,7-8,11-15,17-18H2,(H,26,29)(H,27,30)/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121575 (CHEMBL356442 | Morpholine-4-carboxylic acid (1-{[c...) Show SMILES Cc1ccccc1COC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1)C#N Show InChI InChI=1S/C25H36N4O4/c1-19-7-5-6-10-21(19)17-33-18-22(16-26)27-24(30)23(15-20-8-3-2-4-9-20)28-25(31)29-11-13-32-14-12-29/h5-7,10,20,22-23H,2-4,8-9,11-15,17-18H2,1H3,(H,27,30)(H,28,31)/t22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121581 (CHEMBL150253 | Morpholine-4-carboxylic acid (1-{[(...) Show SMILES Clc1ccccc1COC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1)C#N Show InChI InChI=1S/C24H33ClN4O4/c25-21-9-5-4-8-19(21)16-33-17-20(15-26)27-23(30)22(14-18-6-2-1-3-7-18)28-24(31)29-10-12-32-13-11-29/h4-5,8-9,18,20,22H,1-3,6-7,10-14,16-17H2,(H,27,30)(H,28,31)/t20-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121569 (CHEMBL153783 | Morpholine-4-carboxylic acid {1-[(b...) Show SMILES CC(C)(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](COCc1ccccc1)C#N Show InChI InChI=1S/C22H32N4O4/c1-22(2,3)13-19(25-21(28)26-9-11-29-12-10-26)20(27)24-18(14-23)16-30-15-17-7-5-4-6-8-17/h4-8,18-19H,9-13,15-16H2,1-3H3,(H,24,27)(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 UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121543 (CHEMBL435440 | Morpholine-4-carboxylic acid {1-[(c...) Show SMILES O=C(N[C@H](C#N)c1ccccc1)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 Show InChI InChI=1S/C22H30N4O3/c23-16-20(18-9-5-2-6-10-18)24-21(27)19(15-17-7-3-1-4-8-17)25-22(28)26-11-13-29-14-12-26/h2,5-6,9-10,17,19-20H,1,3-4,7-8,11-15H2,(H,24,27)(H,25,28)/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121561 (CHEMBL356167 | Morpholine-4-carboxylic acid (1-{[(...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](COCc1cccc(Cl)c1)C#N Show InChI InChI=1S/C21H29ClN4O4/c1-15(2)10-19(25-21(28)26-6-8-29-9-7-26)20(27)24-18(12-23)14-30-13-16-4-3-5-17(22)11-16/h3-5,11,15,18-19H,6-10,13-14H2,1-2H3,(H,24,27)(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 UniChem Patents Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121545 (CHEMBL149523 | Morpholine-4-carboxylic acid (1-{[(...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](COCc1ccccc1Cl)C#N Show InChI InChI=1S/C21H29ClN4O4/c1-15(2)11-19(25-21(28)26-7-9-29-10-8-26)20(27)24-17(12-23)14-30-13-16-5-3-4-6-18(16)22/h3-6,15,17,19H,7-11,13-14H2,1-2H3,(H,24,27)(H,25,28)/t17-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121544 (CHEMBL153248 | Pyrazine-2-carboxylic acid {1-[(ben...) Show SMILES O=C(N[C@@H](COCc1ccccc1)C#N)[C@H](CC1CCCCC1)NC(=O)c1cnccn1 Show InChI InChI=1S/C24H29N5O3/c25-14-20(17-32-16-19-9-5-2-6-10-19)28-23(30)21(13-18-7-3-1-4-8-18)29-24(31)22-15-26-11-12-27-22/h2,5-6,9-12,15,18,20-21H,1,3-4,7-8,13,16-17H2,(H,28,30)(H,29,31)/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121558 (CHEMBL152940 | Morpholine-4-carboxylic acid (1-{[c...) Show SMILES Cc1ccccc1COC[C@H](NC(=O)[C@H](CC(C)(C)C)NC(=O)N1CCOCC1)C#N Show InChI InChI=1S/C23H34N4O4/c1-17-7-5-6-8-18(17)15-31-16-19(14-24)25-21(28)20(13-23(2,3)4)26-22(29)27-9-11-30-12-10-27/h5-8,19-20H,9-13,15-16H2,1-4H3,(H,25,28)(H,26,29)/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121572 (CHEMBL150358 | Morpholine-4-carboxylic acid {1-[(c...) Show SMILES CC(C)(NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1)C#N Show InChI InChI=1S/C18H30N4O3/c1-18(2,13-19)21-16(23)15(12-14-6-4-3-5-7-14)20-17(24)22-8-10-25-11-9-22/h14-15H,3-12H2,1-2H3,(H,20,24)(H,21,23)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121541 (CHEMBL346448 | Morpholine-4-carboxylic acid (1-{[c...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](COCc1ccccc1C)C#N Show InChI InChI=1S/C22H32N4O4/c1-16(2)12-20(25-22(28)26-8-10-29-11-9-26)21(27)24-19(13-23)15-30-14-18-7-5-4-6-17(18)3/h4-7,16,19-20H,8-12,14-15H2,1-3H3,(H,24,27)(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 Patents Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121548 (CHEMBL153813 | MORPHOLINE-4-CARBOXYLIC ACID [1S-(2...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](COCc1ccccc1)C#N Show InChI InChI=1S/C21H30N4O4/c1-16(2)12-19(24-21(27)25-8-10-28-11-9-25)20(26)23-18(13-22)15-29-14-17-6-4-3-5-7-17/h3-7,16,18-19H,8-12,14-15H2,1-2H3,(H,23,26)(H,24,27)/t18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin S (Homo sapiens (Human))	BDBM50121576 (CHEMBL153018 | Furan-2-carboxylic acid {1-[(benzyl...) Show SMILES O=C(N[C@@H](COCc1ccccc1)C#N)[C@H](CC1CCCCC1)NC(=O)c1ccco1 Show InChI InChI=1S/C24H29N3O4/c25-15-20(17-30-16-19-10-5-2-6-11-19)26-23(28)21(14-18-8-3-1-4-9-18)27-24(29)22-12-7-13-31-22/h2,5-7,10-13,18,20-21H,1,3-4,8-9,14,16-17H2,(H,26,28)(H,27,29)/t20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121570 (CHEMBL348679 | Morpholine-4-carboxylic acid [1-(1-...) Show SMILES CC(C)(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C#N Show InChI InChI=1S/C22H32N4O3/c1-22(2,3)15-19(25-21(28)26-11-13-29-14-12-26)20(27)24-18(16-23)10-9-17-7-5-4-6-8-17/h4-8,18-19H,9-15H2,1-3H3,(H,24,27)(H,25,28)/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121557 (CHEMBL151642 | Morpholine-4-carboxylic acid (1-{[(...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](COCc1ccc(Cl)cc1)C#N Show InChI InChI=1S/C21H29ClN4O4/c1-15(2)11-19(25-21(28)26-7-9-29-10-8-26)20(27)24-18(12-23)14-30-13-16-3-5-17(22)6-4-16/h3-6,15,18-19H,7-11,13-14H2,1-2H3,(H,24,27)(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 UniChem Patents Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121551 (CHEMBL150574 | Morpholine-4-carboxylic acid [1-(1-...) Show SMILES CCCC[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C#N Show InChI InChI=1S/C21H30N4O3/c1-2-3-9-19(24-21(27)25-12-14-28-15-13-25)20(26)23-18(16-22)11-10-17-7-5-4-6-8-17/h4-8,18-19H,2-3,9-15H2,1H3,(H,23,26)(H,24,27)/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121564 (CHEMBL153678 | Morpholine-4-carboxylic acid [1-(1-...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C#N Show InChI InChI=1S/C21H30N4O3/c1-16(2)14-19(24-21(27)25-10-12-28-13-11-25)20(26)23-18(15-22)9-8-17-6-4-3-5-7-17/h3-7,16,18-19H,8-14H2,1-2H3,(H,23,26)(H,24,27)/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121546 (CHEMBL347745 | Morpholine-4-carboxylic acid {1-[(c...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](C#N)c1ccccc1 Show InChI InChI=1S/C19H26N4O3/c1-14(2)12-16(22-19(25)23-8-10-26-11-9-23)18(24)21-17(13-20)15-6-4-3-5-7-15/h3-7,14,16-17H,8-12H2,1-2H3,(H,21,24)(H,22,25)/t16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121566 (CHEMBL153319 | Morpholine-4-carboxylic acid (1-{[c...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C#N Show InChI InChI=1S/C20H26Cl2N4O3/c1-13(2)9-18(25-20(28)26-5-7-29-8-6-26)19(27)24-15(12-23)10-14-3-4-16(21)17(22)11-14/h3-4,11,13,15,18H,5-10H2,1-2H3,(H,24,27)(H,25,28)/t15-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121578 (CHEMBL435245 | Morpholine-4-carboxylic acid [1-(1-...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1)C#N Show InChI InChI=1S/C17H30N4O3/c1-4-5-6-14(12-18)19-16(22)15(11-13(2)3)20-17(23)21-7-9-24-10-8-21/h13-15H,4-11H2,1-3H3,(H,19,22)(H,20,23)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121550 (CHEMBL153166 | Morpholine-4-carboxylic acid [1-(1-...) Show SMILES CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CCOCC1)C#N Show InChI InChI=1S/C16H28N4O3/c1-4-5-13(11-17)18-15(21)14(10-12(2)3)19-16(22)20-6-8-23-9-7-20/h12-14H,4-10H2,1-3H3,(H,18,21)(H,19,22)/t13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121560 (CHEMBL345502 | Morpholine-4-carboxylic acid [(1-cy...) Show SMILES O=C(N[C@@H](CCc1ccccc1)C#N)[C@@H](NC(=O)N1CCOCC1)C1CCCCC1 Show InChI InChI=1S/C23H32N4O3/c24-17-20(12-11-18-7-3-1-4-8-18)25-22(28)21(19-9-5-2-6-10-19)26-23(29)27-13-15-30-16-14-27/h1,3-4,7-8,19-21H,2,5-6,9-16H2,(H,25,28)(H,26,29)/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121565 (CHEMBL345267 | Morpholine-4-carboxylic acid {1-[(c...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NC(C)(C)C#N Show InChI InChI=1S/C15H26N4O3/c1-11(2)9-12(13(20)18-15(3,4)10-16)17-14(21)19-5-7-22-8-6-19/h11-12H,5-9H2,1-4H3,(H,17,21)(H,18,20)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121574 (CHEMBL153370 | Morpholine-4-carboxylic acid [1-(cy...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NCC#N Show InChI InChI=1S/C13H22N4O3/c1-10(2)9-11(12(18)15-4-3-14)16-13(19)17-5-7-20-8-6-17/h10-11H,4-9H2,1-2H3,(H,15,18)(H,16,19)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121547 (CHEMBL154808 | Morpholine-4-carboxylic acid {1-[(b...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C#N Show InChI InChI=1S/C20H28N4O3/c1-15(2)12-18(23-20(26)24-8-10-27-11-9-24)19(25)22-17(14-21)13-16-6-4-3-5-7-16/h3-7,15,17-18H,8-13H2,1-2H3,(H,22,25)(H,23,26)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121563 (CHEMBL149736 | Morpholine-4-carboxylic acid {1-[(c...) Show SMILES CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](C)C#N Show InChI InChI=1S/C14H24N4O3/c1-10(2)8-12(13(19)16-11(3)9-15)17-14(20)18-4-6-21-7-5-18/h10-12H,4-8H2,1-3H3,(H,16,19)(H,17,20)/t11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	142	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121552 (CHEMBL356669 | Morpholine-4-carboxylic acid [1-(1-...) Show SMILES O=C(N[C@@H](CCc1ccccc1)C#N)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 Show InChI InChI=1S/C24H28N4O3/c25-18-21(12-11-19-7-3-1-4-8-19)26-23(29)22(17-20-9-5-2-6-10-20)27-24(30)28-13-15-31-16-14-28/h1-10,21-22H,11-17H2,(H,26,29)(H,27,30)/t21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121573 (CHEMBL358829 | Morpholine-4-carboxylic acid [1-(1-...) Show SMILES CC(C)CC[C@H](NC(=O)N1CCOCC1)C(=O)N[C@H](CCc1ccccc1)C#N Show InChI InChI=1S/C22H32N4O3/c1-17(2)8-11-20(25-22(28)26-12-14-29-15-13-26)21(27)24-19(16-23)10-9-18-6-4-3-5-7-18/h3-7,17,19-20H,8-15H2,1-2H3,(H,24,27)(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	PubMed	n/a	n/a	387	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration against human recombinant Cathepsin S expressed in baculovirus				J Med Chem 45: 5471-82 (2002) BindingDB Entry DOI: 10.7270/Q2P26XG7
					More data for this Ligand-Target Pair

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