Found 246 hits with Last Name = 'szelke' 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 |
|---|
Caspase-1
(Homo sapiens (Human)) | BDBM50289410
(CHEMBL26544 | Peptidic phenyl ketoether analogue)Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)COc1ccccc1 Show InChI InChI=1S/C30H33N3O7/c1-18(2)27(33-29(38)22-14-13-20-9-7-8-10-21(20)15-22)30(39)31-19(3)28(37)32-24(16-26(35)36)25(34)17-40-23-11-5-4-6-12-23/h4-15,18-19,24,27H,16-17H2,1-3H3,(H,31,39)(H,32,37)(H,33,38)(H,35,36)/t19-,24?,27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289397
(3-[(1-{3-Methyl-2-[(naphthalene-2-carbonyl)-amino]...)Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCCC[C@H]1C(=O)NC(CC(O)=O)C(=O)COc1ccccc1 Show InChI InChI=1S/C33H37N3O7/c1-21(2)30(35-31(40)24-16-15-22-10-6-7-11-23(22)18-24)33(42)36-17-9-8-14-27(36)32(41)34-26(19-29(38)39)28(37)20-43-25-12-4-3-5-13-25/h3-7,10-13,15-16,18,21,26-27,30H,8-9,14,17,19-20H2,1-2H3,(H,34,41)(H,35,40)(H,38,39)/t26?,27-,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289398
(CHEMBL553107 | Peptidic phenyl ketoether analogue)Show SMILES CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)NC(CC(O)=O)C(=O)COc1ccccc1 Show InChI InChI=1S/C32H35N3O7/c1-20(2)29(34-30(39)23-15-14-21-9-6-7-10-22(21)17-23)32(41)35-16-8-13-26(35)31(40)33-25(18-28(37)38)27(36)19-42-24-11-4-3-5-12-24/h3-7,9-12,14-15,17,20,25-26,29H,8,13,16,18-19H2,1-2H3,(H,33,40)(H,34,39)(H,37,38)/t25?,26-,29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50288303
((R)-3-((S)-2-Amino-3-methyl-pentanoyl)-thiazolidin...)Show InChI InChI=1S/C10H17N3OS/c1-3-7(2)9(12)10(14)13-6-15-5-8(13)4-11/h7-9H,3,5-6,12H2,1-2H3/t7?,8-,9+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Dipeptidyl peptidase IV |
Bioorg Med Chem Lett 6: 2745-2748 (1996)
Article DOI: 10.1016/S0960-894X(96)00491-X
BindingDB Entry DOI: 10.7270/Q2MP537C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50288308
((R)-3-(2-Amino-2-cyclopentyl-acetyl)-thiazolidine-...)Show InChI InChI=1S/C11H17N3OS/c12-5-9-6-16-7-14(9)11(15)10(13)8-3-1-2-4-8/h8-10H,1-4,6-7,13H2/t9-,10?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Dipeptidyl peptidase IV |
Bioorg Med Chem Lett 6: 2745-2748 (1996)
Article DOI: 10.1016/S0960-894X(96)00491-X
BindingDB Entry DOI: 10.7270/Q2MP537C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50288307
((R)-3-(2-Amino-2-cyclohexyl-acetyl)-thiazolidine-4...)Show InChI InChI=1S/C12H19N3OS/c13-6-10-7-17-8-15(10)12(16)11(14)9-4-2-1-3-5-9/h9-11H,1-5,7-8,14H2/t10-,11?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Dipeptidyl peptidase IV |
Bioorg Med Chem Lett 6: 2745-2748 (1996)
Article DOI: 10.1016/S0960-894X(96)00491-X
BindingDB Entry DOI: 10.7270/Q2MP537C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11644
((2S)-1-[(2S)-2-amino-2-cyclopentylacetyl]pyrrolidi...)Show InChI InChI=1S/C12H19N3O/c13-8-10-6-3-7-15(10)12(16)11(14)9-4-1-2-5-9/h9-11H,1-7,14H2/t10-,11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Dipeptidyl peptidase IV |
Bioorg Med Chem Lett 6: 2745-2748 (1996)
Article DOI: 10.1016/S0960-894X(96)00491-X
BindingDB Entry DOI: 10.7270/Q2MP537C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289405
(CHEMBL2371932 | Peptidic phenyl ketoether analogue)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1 Show InChI InChI=1S/C30H38N4O9/c1-17(2)27(34-29(41)24(32-19(4)35)14-20-10-12-21(36)13-11-20)30(42)31-18(3)28(40)33-23(15-26(38)39)25(37)16-43-22-8-6-5-7-9-22/h5-13,17-18,23-24,27,36H,14-16H2,1-4H3,(H,31,42)(H,32,35)(H,33,40)(H,34,41)(H,38,39)/t18-,23-,24-,27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11644
((2S)-1-[(2S)-2-amino-2-cyclopentylacetyl]pyrrolidi...)Show InChI InChI=1S/C12H19N3O/c13-8-10-6-3-7-15(10)12(16)11(14)9-4-1-2-5-9/h9-11H,1-7,14H2/t10-,11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV. |
Bioorg Med Chem Lett 6: 1163-1166 (1996)
Article DOI: 10.1016/0960-894X(96)00190-4
BindingDB Entry DOI: 10.7270/Q279455Q |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50084633
((S)-3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo...)Show SMILES OC(=O)C[C@H](NC(=O)C(c1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O)C(=O)COc1ccccc1 Show InChI InChI=1S/C35H29N3O7/c39-30(22-45-27-14-5-2-6-15-27)29(21-31(40)41)37-34(43)32(24-11-3-1-4-12-24)38-19-9-16-28(35(38)44)36-33(42)26-18-17-23-10-7-8-13-25(23)20-26/h1-20,29,32H,21-22H2,(H,36,42)(H,37,43)(H,40,41)/t29-,32?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11694
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV. |
Bioorg Med Chem Lett 6: 1163-1166 (1996)
Article DOI: 10.1016/0960-894X(96)00190-4
BindingDB Entry DOI: 10.7270/Q279455Q |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289402
((S)-3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C31H29N3O7/c1-2-26(30(39)33-25(18-28(36)37)27(35)19-41-23-11-4-3-5-12-23)34-16-8-13-24(31(34)40)32-29(38)22-15-14-20-9-6-7-10-21(20)17-22/h3-17,25-26H,2,18-19H2,1H3,(H,32,38)(H,33,39)(H,36,37)/t25-,26?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289412
((S)-3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo...)Show SMILES OC(=O)C[C@H](NC(=O)C(CC=C)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O)C(=O)COc1ccccc1 Show InChI InChI=1S/C32H29N3O7/c1-2-9-27(31(40)34-26(19-29(37)38)28(36)20-42-24-12-4-3-5-13-24)35-17-8-14-25(32(35)41)33-30(39)23-16-15-21-10-6-7-11-22(21)18-23/h2-8,10-18,26-27H,1,9,19-20H2,(H,33,39)(H,34,40)(H,37,38)/t26-,27?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50288298
((S)-3-((S)-2-Amino-3-methyl-pentanoyl)-thiazolidin...)Show InChI InChI=1S/C10H17N3OS/c1-3-7(2)9(12)10(14)13-4-5-15-8(13)6-11/h7-9H,3-5,12H2,1-2H3/t7?,8-,9-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Dipeptidyl peptidase IV |
Bioorg Med Chem Lett 6: 2745-2748 (1996)
Article DOI: 10.1016/S0960-894X(96)00491-X
BindingDB Entry DOI: 10.7270/Q2MP537C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50091577
((S)-3-(2-{3-[(Naphthalene-1-carbonyl)-amino]-2-oxo...)Show SMILES OC(=O)C[C@H](NC(=O)C(c1ccccc1)n1cccc(NC(=O)c2cccc3ccccc23)c1=O)C(=O)COc1ccccc1 Show InChI InChI=1S/C35H29N3O7/c39-30(22-45-25-15-5-2-6-16-25)29(21-31(40)41)37-34(43)32(24-12-3-1-4-13-24)38-20-10-19-28(35(38)44)36-33(42)27-18-9-14-23-11-7-8-17-26(23)27/h1-20,29,32H,21-22H2,(H,36,42)(H,37,43)(H,40,41)/t29-,32?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289393
((S)-3-(2-{3-[(Naphthalene-1-carbonyl)-amino]-2-oxo...)Show SMILES CCCC(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc23)c1=O Show InChI InChI=1S/C32H31N3O7/c1-2-10-27(31(40)34-26(19-29(37)38)28(36)20-42-22-13-4-3-5-14-22)35-18-9-17-25(32(35)41)33-30(39)24-16-8-12-21-11-6-7-15-23(21)24/h3-9,11-18,26-27H,2,10,19-20H2,1H3,(H,33,39)(H,34,40)(H,37,38)/t26-,27?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50050525
((R)-1-((S)-2-aminopropanoyl)pyrrolidin-2-ylboronic...)Show InChI InChI=1S/C7H15BN2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6,12-13H,2-4,9H2,1H3/t5-,6-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV. |
Bioorg Med Chem Lett 6: 1163-1166 (1996)
Article DOI: 10.1016/0960-894X(96)00190-4
BindingDB Entry DOI: 10.7270/Q279455Q |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289407
((S)-3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo...)Show SMILES OC(=O)C[C@H](NC(=O)C(c1ccccn1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O)C(=O)COc1ccccc1 Show InChI InChI=1S/C34H28N4O7/c39-29(21-45-25-11-2-1-3-12-25)28(20-30(40)41)37-33(43)31(26-13-6-7-17-35-26)38-18-8-14-27(34(38)44)36-32(42)24-16-15-22-9-4-5-10-23(22)19-24/h1-19,28,31H,20-21H2,(H,36,42)(H,37,43)(H,40,41)/t28-,31?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289388
((S)-3-(2-{3-[(Naphthalene-1-carbonyl)-amino]-2-oxo...)Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc23)c1=O Show InChI InChI=1S/C31H29N3O7/c1-2-26(30(39)33-25(18-28(36)37)27(35)19-41-21-12-4-3-5-13-21)34-17-9-16-24(31(34)40)32-29(38)23-15-8-11-20-10-6-7-14-22(20)23/h3-17,25-26H,2,18-19H2,1H3,(H,32,38)(H,33,39)(H,36,37)/t25-,26?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50288299
((S)-1-((S)-2-Amino-3-methyl-pentanoyl)-pyrrolidine...)Show InChI InChI=1S/C11H19N3O/c1-3-8(2)10(13)11(15)14-6-4-5-9(14)7-12/h8-10H,3-6,13H2,1-2H3/t8?,9-,10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Dipeptidyl peptidase IV |
Bioorg Med Chem Lett 6: 2745-2748 (1996)
Article DOI: 10.1016/S0960-894X(96)00491-X
BindingDB Entry DOI: 10.7270/Q2MP537C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50213844
(CHEMBL3350819)Show InChI InChI=1S/C11H19N3O/c1-3-8(2)10(13)11(15)14-6-4-5-9(14)7-12/h8-10H,3-6,13H2,1-2H3/t8-,9-,10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of platelet glycoprotein alpha IIb beta3 integrin in ELISA |
Bioorg Med Chem Lett 6: 1163-1166 (1996)
Article DOI: 10.1016/0960-894X(96)00190-4
BindingDB Entry DOI: 10.7270/Q279455Q |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50050521
((2-Dihydroxyborane-pyrrolidin-1-yl)-pyrrolidin-2-y...)Show InChI InChI=1S/C9H17BN2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11,14-15H,1-6H2/t7-,8-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV. |
Bioorg Med Chem Lett 6: 1163-1166 (1996)
Article DOI: 10.1016/0960-894X(96)00190-4
BindingDB Entry DOI: 10.7270/Q279455Q |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50151003
((S)-1-((S)-2-Amino-3,3-dimethyl-butyryl)-pyrrolidi...)Show InChI InChI=1S/C11H19N3O/c1-11(2,3)9(13)10(15)14-6-4-5-8(14)7-12/h8-9H,4-6,13H2,1-3H3/t8-,9+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV. |
Bioorg Med Chem Lett 6: 1163-1166 (1996)
Article DOI: 10.1016/0960-894X(96)00190-4
BindingDB Entry DOI: 10.7270/Q279455Q |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50288297
(CHEMBL92175 | [5-Amino-1-((R)-4-cyano-thiazolidine...)Show SMILES NCCCCC(NC(=O)OCc1ccccc1)C(=O)N1CSC[C@H]1C#N Show InChI InChI=1S/C18H24N4O3S/c19-9-5-4-8-16(17(23)22-13-26-12-15(22)10-20)21-18(24)25-11-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-9,11-13,19H2,(H,21,24)/t15-,16?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Dipeptidyl peptidase IV |
Bioorg Med Chem Lett 6: 2745-2748 (1996)
Article DOI: 10.1016/S0960-894X(96)00491-X
BindingDB Entry DOI: 10.7270/Q2MP537C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50243604
((S)-1-((S)-2,6-diaminohexanoyl)pyrrolidine-2-carbo...)Show InChI InChI=1S/C11H20N4O/c12-6-2-1-5-10(14)11(16)15-7-3-4-9(15)8-13/h9-10H,1-7,12,14H2/t9-,10-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV. |
Bioorg Med Chem Lett 6: 1163-1166 (1996)
Article DOI: 10.1016/0960-894X(96)00190-4
BindingDB Entry DOI: 10.7270/Q279455Q |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289408
((S)-3-(2-{3-[(Naphthalene-1-carbonyl)-amino]-2-oxo...)Show SMILES CCCCC(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc23)c1=O Show InChI InChI=1S/C33H33N3O7/c1-2-3-18-28(32(41)35-27(20-30(38)39)29(37)21-43-23-13-5-4-6-14-23)36-19-10-17-26(33(36)42)34-31(40)25-16-9-12-22-11-7-8-15-24(22)25/h4-17,19,27-28H,2-3,18,20-21H2,1H3,(H,34,40)(H,35,41)(H,38,39)/t27-,28?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289400
((S)-3-(2-{3-[(Naphthalene-1-carbonyl)-amino]-2-oxo...)Show SMILES CC(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc23)c1=O Show InChI InChI=1S/C30H27N3O7/c1-19(28(37)32-25(17-27(35)36)26(34)18-40-21-11-3-2-4-12-21)33-16-8-15-24(30(33)39)31-29(38)23-14-7-10-20-9-5-6-13-22(20)23/h2-16,19,25H,17-18H2,1H3,(H,31,38)(H,32,37)(H,35,36)/t19?,25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289403
((S)-3-(3-Methoxy-2-{3-[(naphthalene-2-carbonyl)-am...)Show SMILES COCC(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C31H29N3O8/c1-41-18-26(30(39)33-25(17-28(36)37)27(35)19-42-23-10-3-2-4-11-23)34-15-7-12-24(31(34)40)32-29(38)22-14-13-20-8-5-6-9-21(20)16-22/h2-16,25-26H,17-19H2,1H3,(H,32,38)(H,33,39)(H,36,37)/t25-,26?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289387
((S)-3-(2-{6-Benzyl-3-[(naphthalene-1-carbonyl)-ami...)Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(Cc2ccccc2)ccc(NC(=O)c2cccc3ccccc23)c1=O)C(=O)COc1ccccc1 Show InChI InChI=1S/C36H31N3O7/c40-32(23-46-27-14-5-2-6-15-27)31(21-34(42)43)37-33(41)22-39-26(20-24-10-3-1-4-11-24)18-19-30(36(39)45)38-35(44)29-17-9-13-25-12-7-8-16-28(25)29/h1-19,31H,20-23H2,(H,37,41)(H,38,44)(H,42,43)/t31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289409
((S)-3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo...)Show SMILES CC(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C30H27N3O7/c1-19(28(37)32-25(17-27(35)36)26(34)18-40-23-10-3-2-4-11-23)33-15-7-12-24(30(33)39)31-29(38)22-14-13-20-8-5-6-9-21(20)16-22/h2-16,19,25H,17-18H2,1H3,(H,31,38)(H,32,37)(H,35,36)/t19?,25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289395
((S)-3-(2-{6-Butyl-3-[(naphthalene-1-carbonyl)-amin...)Show SMILES CCCCc1ccc(NC(=O)c2cccc3ccccc23)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1 Show InChI InChI=1S/C33H33N3O7/c1-2-3-12-23-17-18-27(35-32(41)26-16-9-11-22-10-7-8-15-25(22)26)33(42)36(23)20-30(38)34-28(19-31(39)40)29(37)21-43-24-13-5-4-6-14-24/h4-11,13-18,28H,2-3,12,19-21H2,1H3,(H,34,38)(H,35,41)(H,39,40)/t28-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50288301
((R)-3-((S)-2-Amino-3-methyl-pentanoyl)-1,1-dioxo-t...)Show SMILES CCC(C)[C@H](N)C(=O)N1CS(=O)(=O)C[C@H]1C#N |r| Show InChI InChI=1S/C10H17N3O3S/c1-3-7(2)9(12)10(14)13-6-17(15,16)5-8(13)4-11/h7-9H,3,5-6,12H2,1-2H3/t7?,8-,9+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Dipeptidyl peptidase IV |
Bioorg Med Chem Lett 6: 2745-2748 (1996)
Article DOI: 10.1016/S0960-894X(96)00491-X
BindingDB Entry DOI: 10.7270/Q2MP537C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289411
((S)-3-(3-Methyl-2-{3-[(naphthalene-1-carbonyl)-ami...)Show SMILES CC(C)C(C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc23)c1=O Show InChI InChI=1S/C32H31N3O7/c1-20(2)29(31(40)34-26(18-28(37)38)27(36)19-42-22-12-4-3-5-13-22)35-17-9-16-25(32(35)41)33-30(39)24-15-8-11-21-10-6-7-14-23(21)24/h3-17,20,26,29H,18-19H2,1-2H3,(H,33,39)(H,34,40)(H,37,38)/t26-,29?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11056
((2S)-1-[(2S)-pyrrolidin-2-ylcarbonyl]pyrrolidine-2...)Show InChI InChI=1S/C10H15N3O/c11-7-8-3-2-6-13(8)10(14)9-4-1-5-12-9/h8-9,12H,1-6H2/t8-,9-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV. |
Bioorg Med Chem Lett 6: 1163-1166 (1996)
Article DOI: 10.1016/0960-894X(96)00190-4
BindingDB Entry DOI: 10.7270/Q279455Q |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289404
((S)-3-(2-{3-[(Naphthalene-1-carbonyl)-amino]-2-oxo...)Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(ccc(NC(=O)c2cccc3ccccc23)c1=O)-c1ccccc1)C(=O)COc1ccccc1 Show InChI InChI=1S/C35H29N3O7/c39-31(22-45-25-14-5-2-6-15-25)29(20-33(41)42)36-32(40)21-38-30(24-11-3-1-4-12-24)19-18-28(35(38)44)37-34(43)27-17-9-13-23-10-7-8-16-26(23)27/h1-19,29H,20-22H2,(H,36,40)(H,37,43)(H,41,42)/t29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50450427
(CHEMBL2115247)Show SMILES CC[C@H](C)[C@H](N)C(=O)N1C[S+]([O-])C[C@H]1C#N |r| Show InChI InChI=1S/C10H17N3O2S/c1-3-7(2)9(12)10(14)13-6-16(15)5-8(13)4-11/h7-9H,3,5-6,12H2,1-2H3/t7-,8+,9-,16?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Dipeptidyl peptidase IV |
Bioorg Med Chem Lett 6: 2745-2748 (1996)
Article DOI: 10.1016/S0960-894X(96)00491-X
BindingDB Entry DOI: 10.7270/Q2MP537C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50450427
(CHEMBL2115247)Show SMILES CC[C@H](C)[C@H](N)C(=O)N1C[S+]([O-])C[C@H]1C#N |r| Show InChI InChI=1S/C10H17N3O2S/c1-3-7(2)9(12)10(14)13-6-16(15)5-8(13)4-11/h7-9H,3,5-6,12H2,1-2H3/t7-,8+,9-,16?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
| Article
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Dipeptidyl peptidase IV |
Bioorg Med Chem Lett 6: 2745-2748 (1996)
Article DOI: 10.1016/S0960-894X(96)00491-X
BindingDB Entry DOI: 10.7270/Q2MP537C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289390
((S)-3-(2-{3-[(Naphthalene-1-carbonyl)-amino]-2-oxo...)Show SMILES OC(=O)C[C@H](NC(=O)Cn1cccc(NC(=O)c2cccc3ccccc23)c1=O)C(=O)COc1ccccc1 Show InChI InChI=1S/C29H25N3O7/c33-25(18-39-20-10-2-1-3-11-20)24(16-27(35)36)30-26(34)17-32-15-7-14-23(29(32)38)31-28(37)22-13-6-9-19-8-4-5-12-21(19)22/h1-15,24H,16-18H2,(H,30,34)(H,31,37)(H,35,36)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289399
((S)-3-(2-{6-Ethyl-3-[(naphthalene-1-carbonyl)-amin...)Show SMILES CCc1ccc(NC(=O)c2cccc3ccccc23)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1 Show InChI InChI=1S/C31H29N3O7/c1-2-21-15-16-25(33-30(39)24-14-8-10-20-9-6-7-13-23(20)24)31(40)34(21)18-28(36)32-26(17-29(37)38)27(35)19-41-22-11-4-3-5-12-22/h3-16,26H,2,17-19H2,1H3,(H,32,36)(H,33,39)(H,37,38)/t26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289414
((S)-3-(2-{6-Hexyl-3-[(naphthalene-1-carbonyl)-amin...)Show SMILES CCCCCCc1ccc(NC(=O)c2cccc3ccccc23)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1 Show InChI InChI=1S/C35H37N3O7/c1-2-3-4-6-14-25-19-20-29(37-34(43)28-18-11-13-24-12-9-10-17-27(24)28)35(44)38(25)22-32(40)36-30(21-33(41)42)31(39)23-45-26-15-7-5-8-16-26/h5,7-13,15-20,30H,2-4,6,14,21-23H2,1H3,(H,36,40)(H,37,43)(H,41,42)/t30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289415
((S)-3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo...)Show SMILES OC(=O)C[C@H](NC(=O)Cn1cccc(NC(=O)c2ccc3ccccc3c2)c1=O)C(=O)COc1ccccc1 Show InChI InChI=1S/C29H25N3O7/c33-25(18-39-22-9-2-1-3-10-22)24(16-27(35)36)30-26(34)17-32-14-6-11-23(29(32)38)31-28(37)21-13-12-19-7-4-5-8-20(19)15-21/h1-15,24H,16-18H2,(H,30,34)(H,31,37)(H,35,36)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289394
((S)-3-(2-{2-Butyl-5-[(naphthalene-1-carbonyl)-amin...)Show SMILES CCCCc1ncc(NC(=O)c2cccc3ccccc23)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1 Show InChI InChI=1S/C32H32N4O7/c1-2-3-16-28-33-18-26(35-31(41)24-15-9-11-21-10-7-8-14-23(21)24)32(42)36(28)19-29(38)34-25(17-30(39)40)27(37)20-43-22-12-5-4-6-13-22/h4-15,18,25H,2-3,16-17,19-20H2,1H3,(H,34,38)(H,35,41)(H,39,40)/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM12191
((2S)-2-amino-2-cyclohexyl-1-(pyrrolidin-1-yl)ethan...)Show InChI InChI=1S/C12H22N2O/c13-11(10-6-2-1-3-7-10)12(15)14-8-4-5-9-14/h10-11H,1-9,13H2/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV. |
Bioorg Med Chem Lett 6: 1163-1166 (1996)
Article DOI: 10.1016/0960-894X(96)00190-4
BindingDB Entry DOI: 10.7270/Q279455Q |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289401
((S)-3-(2-{5-[(Naphthalene-1-carbonyl)-amino]-6-oxo...)Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(ncc(NC(=O)c2cccc3ccccc23)c1=O)-c1ccccc1)C(=O)COc1ccccc1 Show InChI InChI=1S/C34H28N4O7/c39-29(21-45-24-14-5-2-6-15-24)27(18-31(41)42)36-30(40)20-38-32(23-11-3-1-4-12-23)35-19-28(34(38)44)37-33(43)26-17-9-13-22-10-7-8-16-25(22)26/h1-17,19,27H,18,20-21H2,(H,36,40)(H,37,43)(H,41,42)/t27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289386
((S)-3-(2-{3-[(Naphthalene-1-carbonyl)-amino]-2-oxo...)Show SMILES CCCc1ccc(NC(=O)c2cccc3ccccc23)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1 Show InChI InChI=1S/C32H31N3O7/c1-2-9-22-16-17-26(34-31(40)25-15-8-11-21-10-6-7-14-24(21)25)32(41)35(22)19-29(37)33-27(18-30(38)39)28(36)20-42-23-12-4-3-5-13-23/h3-8,10-17,27H,2,9,18-20H2,1H3,(H,33,37)(H,34,40)(H,38,39)/t27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289396
((S)-3-(2-{6-Methyl-3-[(naphthalene-1-carbonyl)-ami...)Show SMILES Cc1ccc(NC(=O)c2cccc3ccccc23)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1 Show InChI InChI=1S/C30H27N3O7/c1-19-14-15-24(32-29(38)23-13-7-9-20-8-5-6-12-22(20)23)30(39)33(19)17-27(35)31-25(16-28(36)37)26(34)18-40-21-10-3-2-4-11-21/h2-15,25H,16-18H2,1H3,(H,31,35)(H,32,38)(H,36,37)/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50289413
((S)-3-(2-{6-Methyl-3-[(naphthalene-2-carbonyl)-ami...)Show SMILES Cc1ccc(NC(=O)c2ccc3ccccc3c2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1 Show InChI InChI=1S/C30H27N3O7/c1-19-11-14-24(32-29(38)22-13-12-20-7-5-6-8-21(20)15-22)30(39)33(19)17-27(35)31-25(16-28(36)37)26(34)18-40-23-9-3-2-4-10-23/h2-15,25H,16-18H2,1H3,(H,31,35)(H,32,38)(H,36,37)/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Reversible inhibition of recombinant human IL-1 beta converting enzyme. |
Bioorg Med Chem Lett 7: 1337-1342 (1997)
Article DOI: 10.1016/S0960-894X(97)00220-5
BindingDB Entry DOI: 10.7270/Q2DN452C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50287066
(2-Amino-2-cyclopentyl-1-pyrrolidin-1-yl-ethanone |...)Show InChI InChI=1S/C11H20N2O/c12-10(9-5-1-2-6-9)11(14)13-7-3-4-8-13/h9-10H,1-8,12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV. |
Bioorg Med Chem Lett 6: 1163-1166 (1996)
Article DOI: 10.1016/0960-894X(96)00190-4
BindingDB Entry DOI: 10.7270/Q279455Q |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50288306
((S)-1-((S)-2-Amino-3-methyl-pentanoyl)-piperidine-...)Show InChI InChI=1S/C12H21N3O/c1-3-9(2)11(14)12(16)15-7-5-4-6-10(15)8-13/h9-11H,3-7,14H2,1-2H3/t9?,10-,11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human Dipeptidyl peptidase IV |
Bioorg Med Chem Lett 6: 2745-2748 (1996)
Article DOI: 10.1016/S0960-894X(96)00491-X
BindingDB Entry DOI: 10.7270/Q2MP537C |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50118943
((2S,3S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)pentan...)Show InChI InChI=1S/C10H20N2O/c1-3-8(2)9(11)10(13)12-6-4-5-7-12/h8-9H,3-7,11H2,1-2H3/t8-,9-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro test for inhibitory activity against human dipeptidyl peptidase IV. |
Bioorg Med Chem Lett 6: 1163-1166 (1996)
Article DOI: 10.1016/0960-894X(96)00190-4
BindingDB Entry DOI: 10.7270/Q279455Q |
More data for this
Ligand-Target Pair | |
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