Found 356 hits with Last Name = 'montana' and Initial = 'jg' 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 |
|---|
Serine protease 1
(Homo sapiens (Human)) | BDBM50072292
((3S,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta...)Show InChI InChI=1S/C13H14O2S/c14-13-12(10-7-4-8-11(10)15-13)16-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-,12-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of trypsin |
Bioorg Med Chem Lett 8: 2955-60 (1999)
Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50072285
((3R,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta...)Show InChI InChI=1S/C13H14O2S/c14-13-12(10-7-4-8-11(10)15-13)16-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-,12+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of trypsin |
Bioorg Med Chem Lett 8: 2955-60 (1999)
Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50072289
((3S,3aR,6aS)-3-(4-Methyl-2-oxo-pent-3-enyl)-hexahy...)Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6@H]-1-[#6@H]-2-[#6]-[#6]-[#6]-[#6@@H]-2-[#8]-[#6]-1=O Show InChI InChI=1S/C13H18O3/c1-8(2)6-9(14)7-11-10-4-3-5-12(10)16-13(11)15/h6,10-12H,3-5,7H2,1-2H3/t10-,11+,12+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of trypsin |
Bioorg Med Chem Lett 8: 2955-60 (1999)
Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50072283
((3S,3aR,6aS)-3-Benzyl-hexahydro-cyclopenta[b]furan...)Show InChI InChI=1S/C14H16O2/c15-14-12(9-10-5-2-1-3-6-10)11-7-4-8-13(11)16-14/h1-3,5-6,11-13H,4,7-9H2/t11-,12+,13+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of trypsin |
Bioorg Med Chem Lett 8: 2955-60 (1999)
Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50290670
(5-Mercapto-5-[(S)-3-methyl-1-((S)-1-methylcarbamoy...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCC(=O)OC Show InChI InChI=1S/C23H35N3O5S/c1-15(2)13-17(26-23(30)19(32)11-8-12-20(27)31-4)22(29)25-18(21(28)24-3)14-16-9-6-5-7-10-16/h5-7,9-10,15,17-19,32H,8,11-14H2,1-4H3,(H,24,28)(H,25,29)(H,26,30)/t17-,18-,19?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218255
(CHEMBL290100)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(C)=O Show InChI InChI=1S/C17H12Cl2N2O4/c1-8(22)14-5-10-9(3-4-13(24-2)16(10)25-14)17(23)21-15-11(18)6-20-7-12(15)19/h3-7H,1-2H3,(H,20,21,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 4 (PDE-4) from human U937 cells |
Bioorg Med Chem Lett 12: 1613-5 (2002)
BindingDB Entry DOI: 10.7270/Q2D220S3 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218255
(CHEMBL290100)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(C)=O Show InChI InChI=1S/C17H12Cl2N2O4/c1-8(22)14-5-10-9(3-4-13(24-2)16(10)25-14)17(23)21-15-11(18)6-20-7-12(15)19/h3-7H,1-2H3,(H,20,21,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech-Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells |
Bioorg Med Chem Lett 10: 2137-40 (2000)
BindingDB Entry DOI: 10.7270/Q2NP26MQ |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50072286
((3R,3aR,6aS)-3-Benzyl-hexahydro-cyclopenta[b]furan...)Show InChI InChI=1S/C14H16O2/c15-14-12(9-10-5-2-1-3-6-10)11-7-4-8-13(11)16-14/h1-3,5-6,11-13H,4,7-9H2/t11-,12-,13+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of trypsin |
Bioorg Med Chem Lett 8: 2955-60 (1999)
Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218257
(CHEMBL69874)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(=O)c1ccncc1 Show InChI InChI=1S/C21H13Cl2N3O4/c1-29-16-3-2-12(21(28)26-18-14(22)9-25-10-15(18)23)13-8-17(30-20(13)16)19(27)11-4-6-24-7-5-11/h2-10H,1H3,(H,25,26,28) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech-Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells |
Bioorg Med Chem Lett 10: 2137-40 (2000)
BindingDB Entry DOI: 10.7270/Q2NP26MQ |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50290671
((S)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@@H](S)CCN1C(=O)CCC1=O Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50290675
(5-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-mercapto...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C29H36N4O5S/c1-18(2)16-22(26(35)31-23(25(34)30-3)17-19-10-5-4-6-11-19)32-27(36)24(39)14-9-15-33-28(37)20-12-7-8-13-21(20)29(33)38/h4-8,10-13,18,22-24,39H,9,14-17H2,1-3H3,(H,30,34)(H,31,35)(H,32,36)/t22-,23-,24?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50476508
(CHEMBL234487)Show SMILES [#6]-[#8]-c1ccc(cc1-[#7]-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)c2ccccc12)[Si;v4]([#6])([#6])[#6] Show InChI InChI=1S/C27H35N3O4Si/c1-32-26-11-9-20(35(2,3)4)19-24(26)29-27(31)28-23-10-12-25(22-8-6-5-7-21(22)23)34-18-15-30-13-16-33-17-14-30/h5-12,19H,13-18H2,1-4H3,(H2,28,29,31) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Paradigm Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MAPK p38 |
Bioorg Med Chem Lett 17: 354-7 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.044
BindingDB Entry DOI: 10.7270/Q2KD21NQ |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50100087
(5-Phenyl-2-[4-(pyridine-4-carbonyl)-benzenesulfony...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccncc1 Show InChI InChI=1S/C24H24N2O5S/c27-23(20-13-15-25-16-14-20)19-9-11-22(12-10-19)32(30,31)17-21(24(28)26-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,26,28) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-2 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50100087
(5-Phenyl-2-[4-(pyridine-4-carbonyl)-benzenesulfony...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccncc1 Show InChI InChI=1S/C24H24N2O5S/c27-23(20-13-15-25-16-14-20)19-9-11-22(12-10-19)32(30,31)17-21(24(28)26-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,26,28) | 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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-8 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219014
(CHEMBL149559)Show SMILES CCc1cc2c(cnc(OC(F)F)c2o1)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C16H11Cl2F2N3O4/c1-2-7-3-8-9(4-21-15(13(8)26-7)27-16(19)20)14(24)22-12-10(17)5-23(25)6-11(12)18/h3-6,16H,2H2,1H3,(H,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R& D
Curated by ChEMBL
| Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells |
Bioorg Med Chem Lett 12: 509-12 (2002)
BindingDB Entry DOI: 10.7270/Q2T43W9C |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50100089
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H25NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,29H,7,10,13,18H2,(H,26,28) | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-2 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50072284
((1S,2R,4aR,6aS,6bS,7R,9aS,10aS)-2-Acetoxy-1,4a,6a,...)Show SMILES [H][C@@]12[#6]-[#6][C@]3([#6])[C@@]4([H])[#6]-[#6][C@@]5([#6])[C@]6([H])[#6@@H](-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8][C@@]6([H])[#6][C@]5([#6])[#6]4=[#6]-[#6][C@@]3([H])[C@]1([#6])[#6](=O)-[#8]2 |r,c:33| Show InChI InChI=1S/C30H40O5/c1-16(2)13-17(31)14-18-24-21(34-25(18)32)15-29(5)20-7-8-22-27(3,19(20)9-12-28(24,29)4)11-10-23-30(22,6)26(33)35-23/h7,13,18-19,21-24H,8-12,14-15H2,1-6H3/t18-,19+,21+,22-,23-,24-,27-,28+,29-,30+/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 |
GlaxoWellcome Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of trypsin |
Bioorg Med Chem Lett 8: 2955-60 (1999)
Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50100089
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H25NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,29H,7,10,13,18H2,(H,26,28) | 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 |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-9 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50290671
((S)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@@H](S)CCN1C(=O)CCC1=O Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17-/m0/s1 | PDB
MMDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50290668
(2-Mercapto-5-methanesulfonylamino-pentanoic acid [...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCNS(C)(=O)=O Show InChI InChI=1S/C22H36N4O5S2/c1-15(2)13-17(26-22(29)19(32)11-8-12-24-33(4,30)31)21(28)25-18(20(27)23-3)14-16-9-6-5-7-10-16/h5-7,9-10,15,17-19,24,32H,8,11-14H2,1-4H3,(H,23,27)(H,25,28)(H,26,29)/t17-,18-,19?/m0/s1 | PDB
MMDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50072285
((3R,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta...)Show InChI InChI=1S/C13H14O2S/c14-13-12(10-7-4-8-11(10)15-13)16-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-,12+/m0/s1 | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of thrombin |
Bioorg Med Chem Lett 8: 2955-60 (1999)
Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM396920
(US9981963, Compound 11)Show SMILES CC(C)n1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(C)O Show InChI InChI=1S/C18H20N4O/c1-12(2)22-11-16(13-8-20-21-9-13)15-7-14(19-10-17(15)22)5-6-18(3,4)23/h7-12,23H,1-4H3,(H,20,21) | PDB
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Friedrich Alexander University Erlangen
| Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0... |
J Med Chem 52: 3474-83 (2009)
BindingDB Entry DOI: 10.7270/Q2PR7ZB4 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218258
(CHEMBL70146)Show InChI InChI=1S/C17H13ClN2O4/c1-9(21)15-7-11-10(3-4-14(23-2)16(11)24-15)17(22)20-13-5-6-19-8-12(13)18/h3-8H,1-2H3,(H,19,20,22) | PDB
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| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech-Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells |
Bioorg Med Chem Lett 10: 2137-40 (2000)
BindingDB Entry DOI: 10.7270/Q2NP26MQ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50218245
(CHEMBL65799)Show InChI InChI=1S/C16H9Cl2N3O3/c1-23-13-3-2-9(10-4-8(5-19)24-15(10)13)16(22)21-14-11(17)6-20-7-12(14)18/h2-4,6-7H,1H3,(H,20,21,22) | PDB
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| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech-Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of rolipram binding to rat brain tissue at 20 uM |
Bioorg Med Chem Lett 10: 2137-40 (2000)
BindingDB Entry DOI: 10.7270/Q2NP26MQ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218245
(CHEMBL65799)Show InChI InChI=1S/C16H9Cl2N3O3/c1-23-13-3-2-9(10-4-8(5-19)24-15(10)13)16(22)21-14-11(17)6-20-7-12(14)18/h2-4,6-7H,1H3,(H,20,21,22) | PDB
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| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech-Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells |
Bioorg Med Chem Lett 10: 2137-40 (2000)
BindingDB Entry DOI: 10.7270/Q2NP26MQ |
More data for this
Ligand-Target Pair | |
Chymotrypsin-C
(Homo sapiens (Human)) | BDBM50072290
((3S,3aR,6aS)-3-Allyl-hexahydro-cyclopenta[b]furan-...)Show InChI InChI=1S/C10H14O2/c1-2-4-8-7-5-3-6-9(7)12-10(8)11/h2,7-9H,1,3-6H2/t7-,8+,9+/m1/s1 | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome Research and Development
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibition of Chymotrypsinogen |
Bioorg Med Chem Lett 8: 2955-60 (1999)
Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50476509
(CHEMBL234486)Show SMILES [#6]-c1ccc(cc1)-n1nc(cc1-[#7]-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)c2ccccc12)[Si;v4]([#6])([#6])[#6] Show InChI InChI=1S/C30H37N5O3Si/c1-22-9-11-23(12-10-22)35-28(21-29(33-35)39(2,3)4)32-30(36)31-26-13-14-27(25-8-6-5-7-24(25)26)38-20-17-34-15-18-37-19-16-34/h5-14,21H,15-20H2,1-4H3,(H2,31,32,36) | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Paradigm Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MAPK p38 |
Bioorg Med Chem Lett 17: 354-7 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.044
BindingDB Entry DOI: 10.7270/Q2KD21NQ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50114418
(8-Methoxy-2-trifluoromethyl-quinoline-5-carboxylic...)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(nc12)C(F)(F)F Show InChI InChI=1S/C17H10Cl2F3N3O2/c1-27-12-4-2-9(8-3-5-13(17(20,21)22)24-14(8)12)16(26)25-15-10(18)6-23-7-11(15)19/h2-7H,1H3,(H,23,25,26) | PDB
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Schering-Plough Corporation
Curated by ChEMBL
| Assay Description
Inhibition of rolipram binding to PDE4 of rat brain |
Bioorg Med Chem Lett 12: 1621-3 (2002)
BindingDB Entry DOI: 10.7270/Q24J0HB2 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50218257
(CHEMBL69874)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(=O)c1ccncc1 Show InChI InChI=1S/C21H13Cl2N3O4/c1-29-16-3-2-12(21(28)26-18-14(22)9-25-10-15(18)23)13-8-17(30-20(13)16)19(27)11-4-6-24-7-5-11/h2-10H,1H3,(H,25,26,28) | PDB
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| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech-Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of rolipram binding to rat brain tissue at 20 uM |
Bioorg Med Chem Lett 10: 2137-40 (2000)
BindingDB Entry DOI: 10.7270/Q2NP26MQ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218246
(CHEMBL68323)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(C)O Show InChI InChI=1S/C17H14Cl2N2O4/c1-8(22)14-5-10-9(3-4-13(24-2)16(10)25-14)17(23)21-15-11(18)6-20-7-12(15)19/h3-8,22H,1-2H3,(H,20,21,23) | PDB
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| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech-Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells |
Bioorg Med Chem Lett 10: 2137-40 (2000)
BindingDB Entry DOI: 10.7270/Q2NP26MQ |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM396936
(US9981963, Compound 31)Show SMILES CCn1cc(-c2c[nH]nc2C#N)c2cc(ncc12)C#CC(C)(C)O Show InChI InChI=1S/C18H17N5O/c1-4-23-11-15(14-9-21-22-16(14)8-19)13-7-12(20-10-17(13)23)5-6-18(2,3)24/h7,9-11,24H,4H2,1-3H3,(H,21,22) | PDB
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Friedrich Alexander University Erlangen
| Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0... |
J Med Chem 52: 3474-83 (2009)
BindingDB Entry DOI: 10.7270/Q2PR7ZB4 |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50290671
((S)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@@H](S)CCN1C(=O)CCC1=O Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17-/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM396916
(US9981963, Compound 7)Show SMILES CC(O)(C#Cc1cc2c(c[nH]c2cn1)-c1cn[nH]c1)c1nccs1 Show InChI InChI=1S/C17H11N5OS/c1-17(23,16-18-4-5-24-16)3-2-12-6-13-14(11-7-21-22-8-11)9-20-15(13)10-19-12/h4-10,23H,1H3 | PDB
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Friedrich Alexander University Erlangen
| Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0... |
J Med Chem 52: 3474-83 (2009)
BindingDB Entry DOI: 10.7270/Q2PR7ZB4 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM396918
(US9981963, Compound 9)Show InChI InChI=1S/C17H18N4O/c1-4-21-11-15(12-8-19-20-9-12)14-7-13(18-10-16(14)21)5-6-17(2,3)22/h7-11,22H,4H2,1-3H3,(H,19,20) | PDB
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Friedrich Alexander University Erlangen
| Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0... |
J Med Chem 52: 3474-83 (2009)
BindingDB Entry DOI: 10.7270/Q2PR7ZB4 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM396919
(US9981963, Compound 10)Show SMILES CCn1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC1(O)CCCC1 Show InChI InChI=1S/C19H20N4O/c1-2-23-13-17(14-10-21-22-11-14)16-9-15(20-12-18(16)23)5-8-19(24)6-3-4-7-19/h9-13,24H,2-4,6-7H2,1H3,(H,21,22) | PDB
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Friedrich Alexander University Erlangen
| Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0... |
J Med Chem 52: 3474-83 (2009)
BindingDB Entry DOI: 10.7270/Q2PR7ZB4 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50213867
(CHEMBL329303)Show SMILES COC(=O)c1cccc(c1)-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O Show InChI InChI=1S/C20H16N4O4/c1-28-19(26)14-8-5-9-15(10-14)24-17-16(21-12-22-17)18(25)23(20(24)27)11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,21,22) | PDB
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Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of rolipram binding |
Bioorg Med Chem Lett 8: 2925-30 (1998)
BindingDB Entry DOI: 10.7270/Q2Z89FKG |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB
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Article
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Paradigm Therapeutics Ltd
Curated by ChEMBL
| Assay Description
Inhibition of MAPK p38 |
Bioorg Med Chem Lett 17: 354-7 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.044
BindingDB Entry DOI: 10.7270/Q2KD21NQ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50290671
((S)-4-(2,5-Dioxo-pyrrolidin-1-yl)-2-mercapto-N-[(R...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)[C@@H](S)CCN1C(=O)CCC1=O Show InChI InChI=1S/C22H30N4O5S2/c1-23-20(29)15(12-14-6-4-3-5-7-14)24-21(30)16(13-33-2)25-22(31)17(32)10-11-26-18(27)8-9-19(26)28/h3-7,15-17,32H,8-13H2,1-2H3,(H,23,29)(H,24,30)(H,25,31)/t15-,16-,17-/m0/s1 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM396924
(US9981963, Compound 15)Show SMILES CC(C)(O)Cn1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(O)c1nccs1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich Alexander University Erlangen
| Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0... |
J Med Chem 52: 3474-83 (2009)
BindingDB Entry DOI: 10.7270/Q2PR7ZB4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50072292
((3S,3aS,6aS)-3-Phenylsulfanyl-hexahydro-cyclopenta...)Show InChI InChI=1S/C13H14O2S/c14-13-12(10-7-4-8-11(10)15-13)16-9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11-,12-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of thrombin |
Bioorg Med Chem Lett 8: 2955-60 (1999)
Article DOI: 10.1016/S0960-894X(98)00531-9
BindingDB Entry DOI: 10.7270/Q2JQ105F |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219013
(CHEMBL343205)Show SMILES CCc1cc2c(cnc(OC)c2o1)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C16H13Cl2N3O4/c1-3-8-4-9-10(5-19-16(24-2)14(9)25-8)15(22)20-13-11(17)6-21(23)7-12(13)18/h4-7H,3H2,1-2H3,(H,20,22) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R& D
Curated by ChEMBL
| Assay Description
Inhibition of human phosphodiesterase 4 from U937 cells |
Bioorg Med Chem Lett 12: 509-12 (2002)
BindingDB Entry DOI: 10.7270/Q2T43W9C |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM396922
(US9981963, Compound 13)Show SMILES OCCn1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC1(O)CCCC1 Show InChI InChI=1S/C19H20N4O2/c24-8-7-23-13-17(14-10-21-22-11-14)16-9-15(20-12-18(16)23)3-6-19(25)4-1-2-5-19/h9-13,24-25H,1-2,4-5,7-8H2,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich Alexander University Erlangen
| Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0... |
J Med Chem 52: 3474-83 (2009)
BindingDB Entry DOI: 10.7270/Q2PR7ZB4 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM396934
(US9981963, Compound 25)Show SMILES CC(C)(O)C#Cc1cc2c(cn(c2cn1)S(C)(=O)=O)-c1cn[nH]c1 Show InChI InChI=1S/C16H16N4O3S/c1-16(2,21)5-4-12-6-13-14(11-7-18-19-8-11)10-20(24(3,22)23)15(13)9-17-12/h6-10,21H,1-3H3,(H,18,19) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich Alexander University Erlangen
| Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0... |
J Med Chem 52: 3474-83 (2009)
BindingDB Entry DOI: 10.7270/Q2PR7ZB4 |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50290670
(5-Mercapto-5-[(S)-3-methyl-1-((S)-1-methylcarbamoy...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCC(=O)OC Show InChI InChI=1S/C23H35N3O5S/c1-15(2)13-17(26-23(30)19(32)11-8-12-20(27)31-4)22(29)25-18(21(28)24-3)14-16-9-6-5-7-10-16/h5-7,9-10,15,17-19,32H,8,11-14H2,1-4H3,(H,24,28)(H,25,29)(H,26,30)/t17-,18-,19?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50100089
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H25NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,29H,7,10,13,18H2,(H,26,28) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-8 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50290669
((S)-2-[4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-m...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C28H34N4O5S/c1-17(2)15-21(25(34)30-22(24(33)29-3)16-18-9-5-4-6-10-18)31-26(35)23(38)13-14-32-27(36)19-11-7-8-12-20(19)28(32)37/h4-12,17,21-23,38H,13-16H2,1-3H3,(H,29,33)(H,30,34)(H,31,35)/t21-,22-,23?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Neutrophil collagenase
(Homo sapiens (Human)) | BDBM50290667
(5-Mercapto-5-[(S)-3-methyl-1-((S)-1-methylcarbamoy...)Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCC(O)=O Show InChI InChI=1S/C22H33N3O5S/c1-14(2)12-16(25-22(30)18(31)10-7-11-19(26)27)21(29)24-17(20(28)23-3)13-15-8-5-4-6-9-15/h4-6,8-9,14,16-18,31H,7,10-13H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,26,27)/t16-,17-,18?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-8, MMP-8 |
Bioorg Med Chem Lett 7: 2765-2770 (1997)
Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50100087
(5-Phenyl-2-[4-(pyridine-4-carbonyl)-benzenesulfony...)Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccncc1 Show InChI InChI=1S/C24H24N2O5S/c27-23(20-13-15-25-16-14-20)19-9-11-22(12-10-19)32(30,31)17-21(24(28)26-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,26,28) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Matrix metalloprotease-9 |
Bioorg Med Chem Lett 11: 1465-8 (2001)
BindingDB Entry DOI: 10.7270/Q2QV3N2N |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM396914
(US9981963, Compound 5)Show SMILES CC(C)(O)C#Cc1cc2c(cn(CCCO)c2cn1)-c1cn[nH]c1 Show InChI InChI=1S/C18H20N4O2/c1-18(2,24)5-4-14-8-15-16(13-9-20-21-10-13)12-22(6-3-7-23)17(15)11-19-14/h8-12,23-24H,3,6-7H2,1-2H3,(H,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich Alexander University Erlangen
| Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0... |
J Med Chem 52: 3474-83 (2009)
BindingDB Entry DOI: 10.7270/Q2PR7ZB4 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50214164
(CHEMBL100011)Show SMILES COc1cccc(c1)-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O Show InChI InChI=1S/C19H16N4O3/c1-26-15-9-5-8-14(10-15)23-17-16(20-12-21-17)18(24)22(19(23)25)11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,20,21) | PDB
UniProtKB/SwissProt
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antibodypedia
antibodypedia
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 |
Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of rolipram binding |
Bioorg Med Chem Lett 8: 2925-30 (1998)
BindingDB Entry DOI: 10.7270/Q2Z89FKG |
More data for this
Ligand-Target Pair | |
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