Found 165 hits with Last Name = 'song' and Initial = 'jh' 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 |
|---|
Cathepsin K
(Homo sapiens (Human)) | BDBM50252525
(CHEMBL493039 | benzyl 1-(2-cyanopiperazin-1-yl)-3-...)Show InChI InChI=1S/C18H24N4O3/c1-14(2)16(17(23)22-11-7-6-10-21(22)13-19)20-18(24)25-12-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-12H2,1-2H3,(H,20,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K |
Bioorg Med Chem Lett 18: 3988-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.017
BindingDB Entry DOI: 10.7270/Q20V8CKF |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261110
(CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...)Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |r,w:21.23| Show InChI InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26-,27+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Technology
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis |
ACS Med Chem Lett 4: 1054-8 (2013)
Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50443584
(CHEMBL3091980)Show SMILES CN(C1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1)S(C)(=O)=O |r| Show InChI InChI=1S/C24H29FN2O2S/c1-27(30(2,28)29)24-15-18-6-3-4-9-22(18)23(24)13-12-21-11-10-19(16-26-21)17-7-5-8-20(25)14-17/h5,7-8,10-14,16,18,22-24H,3-4,6,9,15H2,1-2H3/b13-12+/t18-,22-,23+,24?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Technology
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis |
ACS Med Chem Lett 4: 1054-8 (2013)
Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50261110
(CHEMBL493982 | Ethyl [(3aR,4aR,8aR,9aS)-9(S)-[(E)-...)Show SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2cccc(F)c2)C1 |r,w:21.23| Show InChI InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/t17-,20+,23-,24-,25+,26-,27+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Technology
Curated by ChEMBL
| Assay Description
Antagonist activity at PAR1 in washed human platelets assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followed by... |
ACS Med Chem Lett 4: 1054-8 (2013)
Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50443584
(CHEMBL3091980)Show SMILES CN(C1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1)S(C)(=O)=O |r| Show InChI InChI=1S/C24H29FN2O2S/c1-27(30(2,28)29)24-15-18-6-3-4-9-22(18)23(24)13-12-21-11-10-19(16-26-21)17-7-5-8-20(25)14-17/h5,7-8,10-14,16,18,22-24H,3-4,6,9,15H2,1-2H3/b13-12+/t18-,22-,23+,24?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Technology
Curated by ChEMBL
| Assay Description
Antagonist activity at PAR1 in washed human platelets assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followed by... |
ACS Med Chem Lett 4: 1054-8 (2013)
Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50443580
(CHEMBL3091993)Show SMILES CC1(C[C@@H]2CCCC[C@@H]2[C@H]1C=Cc1ccc(cn1)-c1cccc(F)c1)OC(N)=O |r,w:11.13| Show InChI InChI=1S/C24H27FN2O2/c1-24(29-23(26)28)14-17-5-2-3-8-21(17)22(24)12-11-20-10-9-18(15-27-20)16-6-4-7-19(25)13-16/h4,6-7,9-13,15,17,21-22H,2-3,5,8,14H2,1H3,(H2,26,28)/t17-,21-,22+,24?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Technology
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis |
ACS Med Chem Lett 4: 1054-8 (2013)
Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50443580
(CHEMBL3091993)Show SMILES CC1(C[C@@H]2CCCC[C@@H]2[C@H]1C=Cc1ccc(cn1)-c1cccc(F)c1)OC(N)=O |r,w:11.13| Show InChI InChI=1S/C24H27FN2O2/c1-24(29-23(26)28)14-17-5-2-3-8-21(17)22(24)12-11-20-10-9-18(15-27-20)16-6-4-7-19(25)13-16/h4,6-7,9-13,15,17,21-22H,2-3,5,8,14H2,1H3,(H2,26,28)/t17-,21-,22+,24?/m0/s1 | PDB
KEGG
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Technology
Curated by ChEMBL
| Assay Description
Antagonist activity at PAR1 in washed human platelets assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followed by... |
ACS Med Chem Lett 4: 1054-8 (2013)
Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50252522
(2-(2-(3-cyanophenylamino)-3-methylbutanoyl)piperaz...)Show InChI InChI=1S/C17H21N5O/c1-13(2)16(20-15-7-5-6-14(10-15)11-18)17(23)22-9-4-3-8-21(22)12-19/h5-7,10,13,16,20H,3-4,8-9H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K |
Bioorg Med Chem Lett 18: 3988-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.017
BindingDB Entry DOI: 10.7270/Q20V8CKF |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50443581
(CHEMBL3091991)Show SMILES CN(C1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1)C(C)=O |r| Show InChI InChI=1S/C25H29FN2O/c1-17(29)28(2)25-15-19-6-3-4-9-23(19)24(25)13-12-22-11-10-20(16-27-22)18-7-5-8-21(26)14-18/h5,7-8,10-14,16,19,23-25H,3-4,6,9,15H2,1-2H3/b13-12+/t19-,23-,24+,25?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Technology
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis |
ACS Med Chem Lett 4: 1054-8 (2013)
Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50443586
(CHEMBL3091975)Show SMILES CS(=O)(=O)OC1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r| Show InChI InChI=1S/C23H26FNO3S/c1-29(26,27)28-23-14-17-5-2-3-8-21(17)22(23)12-11-20-10-9-18(15-25-20)16-6-4-7-19(24)13-16/h4,6-7,9-13,15,17,21-23H,2-3,5,8,14H2,1H3/b12-11+/t17-,21-,22+,23?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Technology
Curated by ChEMBL
| Assay Description
Antagonist activity at PAR1 in washed human platelets assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followed by... |
ACS Med Chem Lett 4: 1054-8 (2013)
Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50310205
(7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphenyl)...)Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)-c1ccnc2cc(nn12)-c1cccc(I)c1 Show InChI InChI=1S/C23H18F2IN3O2/c24-23(25)31-20-7-6-16(11-21(20)30-13-14-4-5-14)19-8-9-27-22-12-18(28-29(19)22)15-2-1-3-17(26)10-15/h1-3,6-12,14,23H,4-5,13H2 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
Bioorg Med Chem Lett 20: 922-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50252523
(2-(2-(m-toluidino)-3-methylbutanoyl)piperazine-1-c...)Show InChI InChI=1S/C17H24N4O/c1-13(2)16(19-15-8-6-7-14(3)11-15)17(22)21-10-5-4-9-20(21)12-18/h6-8,11,13,16,19H,4-5,9-10H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K |
Bioorg Med Chem Lett 18: 3988-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.017
BindingDB Entry DOI: 10.7270/Q20V8CKF |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50443586
(CHEMBL3091975)Show SMILES CS(=O)(=O)OC1C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r| Show InChI InChI=1S/C23H26FNO3S/c1-29(26,27)28-23-14-17-5-2-3-8-21(17)22(23)12-11-20-10-9-18(15-25-20)16-6-4-7-19(24)13-16/h4,6-7,9-13,15,17,21-23H,2-3,5,8,14H2,1H3/b12-11+/t17-,21-,22+,23?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Technology
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis |
ACS Med Chem Lett 4: 1054-8 (2013)
Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50443583
(CHEMBL3091981)Show SMILES Fc1cccc(c1)-c1ccc(C=C[C@@H]2[C@H]3CCCC[C@H]3CC22CNC(=O)O2)nc1 |r,w:11.11| Show InChI InChI=1S/C24H25FN2O2/c25-19-6-3-5-16(12-19)18-8-9-20(26-14-18)10-11-22-21-7-2-1-4-17(21)13-24(22)15-27-23(28)29-24/h3,5-6,8-12,14,17,21-22H,1-2,4,7,13,15H2,(H,27,28)/t17-,21-,22+,24?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Technology
Curated by ChEMBL
| Assay Description
Antagonist activity at PAR1 in washed human platelets assessed as inhibition of haTRAP-induced platelet aggregation preincubated for 1 hr followed by... |
ACS Med Chem Lett 4: 1054-8 (2013)
Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50443583
(CHEMBL3091981)Show SMILES Fc1cccc(c1)-c1ccc(C=C[C@@H]2[C@H]3CCCC[C@H]3CC22CNC(=O)O2)nc1 |r,w:11.11| Show InChI InChI=1S/C24H25FN2O2/c25-19-6-3-5-16(12-19)18-8-9-20(26-14-18)10-11-22-21-7-2-1-4-17(21)13-24(22)15-27-23(28)29-24/h3,5-6,8-12,14,17,21-22H,1-2,4,7,13,15H2,(H,27,28)/t17-,21-,22+,24?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Technology
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis |
ACS Med Chem Lett 4: 1054-8 (2013)
Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50310235
(3-[7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphen...)Show SMILES OC(=O)c1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C24H19F2N3O4/c25-24(26)33-20-7-6-16(11-21(20)32-13-14-4-5-14)19-8-9-27-22-12-18(28-29(19)22)15-2-1-3-17(10-15)23(30)31/h1-3,6-12,14,24H,4-5,13H2,(H,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
Bioorg Med Chem Lett 20: 922-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50252525
(CHEMBL493039 | benzyl 1-(2-cyanopiperazin-1-yl)-3-...)Show InChI InChI=1S/C18H24N4O3/c1-14(2)16(17(23)22-11-7-6-10-21(22)13-19)20-18(24)25-12-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-12H2,1-2H3,(H,20,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin B |
Bioorg Med Chem Lett 18: 3988-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.017
BindingDB Entry DOI: 10.7270/Q20V8CKF |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50252488
(2-(2-(3-chlorophenylamino)-3-methylbutanoyl)pipera...)Show InChI InChI=1S/C16H21ClN4O/c1-12(2)15(19-14-7-5-6-13(17)10-14)16(22)21-9-4-3-8-20(21)11-18/h5-7,10,12,15,19H,3-4,8-9H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K |
Bioorg Med Chem Lett 18: 3988-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.017
BindingDB Entry DOI: 10.7270/Q20V8CKF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50310214
(2-(3-Bromophenyl)-7-(3'-cyclopropylmethoxy-4'-difl...)Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)-c1ccnc2cc(nn12)-c1cccc(Br)c1 Show InChI InChI=1S/C23H18BrF2N3O2/c24-17-3-1-2-15(10-17)18-12-22-27-9-8-19(29(22)28-18)16-6-7-20(31-23(25)26)21(11-16)30-13-14-4-5-14/h1-3,6-12,14,23H,4-5,13H2 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
Bioorg Med Chem Lett 20: 922-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50310226
(Acetic acid 3-[7-(3'-cyclopropylmethoxy-4'-difluor...)Show SMILES CC(=O)Oc1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C25H21F2N3O4/c1-15(31)33-19-4-2-3-17(11-19)20-13-24-28-10-9-21(30(24)29-20)18-7-8-22(34-25(26)27)23(12-18)32-14-16-5-6-16/h2-4,7-13,16,25H,5-6,14H2,1H3 | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
Bioorg Med Chem Lett 20: 922-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50310210
(7-(3'-Cyclopentyloxy-4'-methoxyphenyl)-2-(3-chloro...)Show SMILES COc1ccc(cc1OC1CCCC1)-c1ccnc2cc(nn12)-c1cccc(Cl)c1 Show InChI InChI=1S/C24H22ClN3O2/c1-29-22-10-9-17(14-23(22)30-19-7-2-3-8-19)21-11-12-26-24-15-20(27-28(21)24)16-5-4-6-18(25)13-16/h4-6,9-15,19H,2-3,7-8H2,1H3 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
Bioorg Med Chem Lett 20: 922-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50310225
(3-(7-(3-(cyclopropylmethoxy)-4-methoxyphenyl)pyraz...)Show SMILES Oc1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C23H19F2N3O3/c24-23(25)31-20-7-6-16(11-21(20)30-13-14-4-5-14)19-8-9-26-22-12-18(27-28(19)22)15-2-1-3-17(29)10-15/h1-3,6-12,14,23,29H,4-5,13H2 | PDB
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
Bioorg Med Chem Lett 20: 922-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50252489
(2-(3-methyl-2-(3-(trifluoromethyl)phenylamino)buta...)Show SMILES CC(C)C(Nc1cccc(c1)C(F)(F)F)C(=O)N1CCCCN1C#N Show InChI InChI=1S/C17H21F3N4O/c1-12(2)15(16(25)24-9-4-3-8-23(24)11-21)22-14-7-5-6-13(10-14)17(18,19)20/h5-7,10,12,15,22H,3-4,8-9H2,1-2H3 | PDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin B |
Bioorg Med Chem Lett 18: 3988-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.017
BindingDB Entry DOI: 10.7270/Q20V8CKF |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50252489
(2-(3-methyl-2-(3-(trifluoromethyl)phenylamino)buta...)Show SMILES CC(C)C(Nc1cccc(c1)C(F)(F)F)C(=O)N1CCCCN1C#N Show InChI InChI=1S/C17H21F3N4O/c1-12(2)15(16(25)24-9-4-3-8-23(24)11-21)22-14-7-5-6-13(10-14)17(18,19)20/h5-7,10,12,15,22H,3-4,8-9H2,1-2H3 | PDB
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Reactome pathway
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K |
Bioorg Med Chem Lett 18: 3988-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.017
BindingDB Entry DOI: 10.7270/Q20V8CKF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50310240
(3-[7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphen...)Show SMILES CN(C)C(=O)c1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C26H24F2N4O3/c1-31(2)25(33)19-5-3-4-17(12-19)20-14-24-29-11-10-21(32(24)30-20)18-8-9-22(35-26(27)28)23(13-18)34-15-16-6-7-16/h3-5,8-14,16,26H,6-7,15H2,1-2H3 | PDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
Bioorg Med Chem Lett 20: 922-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50252487
(2-(2-(4-chlorophenylamino)-3-methylbutanoyl)pipera...)Show InChI InChI=1S/C16H21ClN4O/c1-12(2)15(19-14-7-5-13(17)6-8-14)16(22)21-10-4-3-9-20(21)11-18/h5-8,12,15,19H,3-4,9-10H2,1-2H3 | PDB
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K |
Bioorg Med Chem Lett 18: 3988-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.017
BindingDB Entry DOI: 10.7270/Q20V8CKF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50310244
(7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphenyl)...)Show SMILES COc1ccc(cc1OC)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C25H23F2N3O4/c1-31-20-7-5-16(11-22(20)32-2)18-13-24-28-10-9-19(30(24)29-18)17-6-8-21(34-25(26)27)23(12-17)33-14-15-3-4-15/h5-13,15,25H,3-4,14H2,1-2H3 | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
Bioorg Med Chem Lett 20: 922-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50252486
(2-(3-methyl-2-(phenylamino)butanoyl)piperazine-1-c...)Show InChI InChI=1S/C16H22N4O/c1-13(2)15(18-14-8-4-3-5-9-14)16(21)20-11-7-6-10-19(20)12-17/h3-5,8-9,13,15,18H,6-7,10-11H2,1-2H3 | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin K |
Bioorg Med Chem Lett 18: 3988-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.017
BindingDB Entry DOI: 10.7270/Q20V8CKF |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50443585
(CHEMBL3091994)Show SMILES Fc1cccc(c1)-c1ccc(\C=C\[C@@H]2[C@H]3CCCC[C@H]3CC22OCCO2)nc1 |r| Show InChI InChI=1S/C24H26FNO2/c25-20-6-3-5-17(14-20)19-8-9-21(26-16-19)10-11-23-22-7-2-1-4-18(22)15-24(23)27-12-13-28-24/h3,5-6,8-11,14,16,18,22-23H,1-2,4,7,12-13,15H2/b11-10+/t18-,22-,23+/m0/s1 | PDB
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Technology
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis |
ACS Med Chem Lett 4: 1054-8 (2013)
Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50310204
(7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphenyl)...)Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)-c1ccnc2cc(nn12)-c1cccnc1 Show InChI InChI=1S/C22H18F2N4O2/c23-22(24)30-19-6-5-15(10-20(19)29-13-14-3-4-14)18-7-9-26-21-11-17(27-28(18)21)16-2-1-8-25-12-16/h1-2,5-12,14,22H,3-4,13H2 | PDB
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
Bioorg Med Chem Lett 20: 922-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50310238
(3-[7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphen...)Show SMILES CCNC(=O)c1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C26H24F2N4O3/c1-2-29-25(33)19-5-3-4-17(12-19)20-14-24-30-11-10-21(32(24)31-20)18-8-9-22(35-26(27)28)23(13-18)34-15-16-6-7-16/h3-5,8-14,16,26H,2,6-7,15H2,1H3,(H,29,33) | PDB
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
Bioorg Med Chem Lett 20: 922-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50310245
(7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphenyl)...)Show SMILES COc1cc(OC)cc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C25H23F2N3O4/c1-31-18-9-17(10-19(12-18)32-2)20-13-24-28-8-7-21(30(24)29-20)16-5-6-22(34-25(26)27)23(11-16)33-14-15-3-4-15/h5-13,15,25H,3-4,14H2,1-2H3 | PDB
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
Bioorg Med Chem Lett 20: 922-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50310215
(7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphenyl)...)Show SMILES COc1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C24H21F2N3O3/c1-30-18-4-2-3-16(11-18)19-13-23-27-10-9-20(29(23)28-19)17-7-8-21(32-24(25)26)22(12-17)31-14-15-5-6-15/h2-4,7-13,15,24H,5-6,14H2,1H3 | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
Bioorg Med Chem Lett 20: 922-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50310211
(2-(3-Bromophenyl)-7-(3'-cyclopentyloxy-4'-methoxyp...)Show SMILES COc1ccc(cc1OC1CCCC1)-c1ccnc2cc(nn12)-c1cccc(Br)c1 Show InChI InChI=1S/C24H22BrN3O2/c1-29-22-10-9-17(14-23(22)30-19-7-2-3-8-19)21-11-12-26-24-15-20(27-28(21)24)16-5-4-6-18(25)13-16/h4-6,9-15,19H,2-3,7-8H2,1H3 | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
Bioorg Med Chem Lett 20: 922-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50310213
(7-(3'-Cyclopentyloxy-4'-methoxyphenyl)-2-(2,5-dich...)Show SMILES COc1ccc(cc1OC1CCCC1)-c1ccnc2cc(nn12)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C24H21Cl2N3O2/c1-30-22-9-6-15(12-23(22)31-17-4-2-3-5-17)21-10-11-27-24-14-20(28-29(21)24)18-13-16(25)7-8-19(18)26/h6-14,17H,2-5H2,1H3 | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
Bioorg Med Chem Lett 20: 922-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50252488
(2-(2-(3-chlorophenylamino)-3-methylbutanoyl)pipera...)Show InChI InChI=1S/C16H21ClN4O/c1-12(2)15(19-14-7-5-6-13(17)10-14)16(22)21-9-4-3-8-20(21)11-18/h5-7,10,12,15,19H,3-4,8-9H2,1-2H3 | PDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin B |
Bioorg Med Chem Lett 18: 3988-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.017
BindingDB Entry DOI: 10.7270/Q20V8CKF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50310223
(2-(3-(allyloxy)phenyl)-7-(3-(cyclopropylmethoxy)-4...)Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)-c1ccnc2cc(nn12)-c1cccc(OCC=C)c1 Show InChI InChI=1S/C26H23F2N3O3/c1-2-12-32-20-5-3-4-18(13-20)21-15-25-29-11-10-22(31(25)30-21)19-8-9-23(34-26(27)28)24(14-19)33-16-17-6-7-17/h2-5,8-11,13-15,17,26H,1,6-7,12,16H2 | PDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
Bioorg Med Chem Lett 20: 922-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50252523
(2-(2-(m-toluidino)-3-methylbutanoyl)piperazine-1-c...)Show InChI InChI=1S/C17H24N4O/c1-13(2)16(19-15-8-6-7-14(3)11-15)17(22)21-10-5-4-9-20(21)12-18/h6-8,11,13,16,19H,4-5,9-10H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin B |
Bioorg Med Chem Lett 18: 3988-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.017
BindingDB Entry DOI: 10.7270/Q20V8CKF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50310246
(5-[7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphen...)Show SMILES COc1ccc(cc1O)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C24H21F2N3O4/c1-31-20-6-4-15(10-19(20)30)17-12-23-27-9-8-18(29(23)28-17)16-5-7-21(33-24(25)26)22(11-16)32-13-14-2-3-14/h4-12,14,24,30H,2-3,13H2,1H3 | PDB
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| CHEMBL
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PC sid
UniChem
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PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
Bioorg Med Chem Lett 20: 922-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50310229
(CHEMBL603230 | N-{3-[7-(3'-Cyclopropylmethoxy-4'-d...)Show SMILES CS(=O)(=O)CNc1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C25H24F2N4O4S/c1-36(32,33)15-29-19-4-2-3-17(11-19)20-13-24-28-10-9-21(31(24)30-20)18-7-8-22(35-25(26)27)23(12-18)34-14-16-5-6-16/h2-4,7-13,16,25,29H,5-6,14-15H2,1H3 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
Bioorg Med Chem Lett 20: 922-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S |
More data for this
Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50443589
(CHEMBL3091992)Show SMILES CC1(O)C[C@@H]2CCCC[C@@H]2[C@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1 |r| Show InChI InChI=1S/C23H26FNO/c1-23(26)14-17-5-2-3-8-21(17)22(23)12-11-20-10-9-18(15-25-20)16-6-4-7-19(24)13-16/h4,6-7,9-13,15,17,21-22,26H,2-3,5,8,14H2,1H3/b12-11+/t17-,21-,22+,23?/m0/s1 | PDB
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PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Technology
Curated by ChEMBL
| Assay Description
Displacement of [3H]haTRAP from PAR1 in human platelet membranes after 60 mins by scintillation counting analysis |
ACS Med Chem Lett 4: 1054-8 (2013)
Article DOI: 10.1021/ml400235c
BindingDB Entry DOI: 10.7270/Q2KH0PSN |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50310220
(2-(3-Chlorophenyl)-7-(3'-cyclopropylmethoxy-4'-dif...)Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)-c1ccnc2cc(nn12)-c1cccc(Cl)c1 Show InChI InChI=1S/C23H18ClF2N3O2/c24-17-3-1-2-15(10-17)18-12-22-27-9-8-19(29(22)28-18)16-6-7-20(31-23(25)26)21(11-16)30-13-14-4-5-14/h1-3,6-12,14,23H,4-5,13H2 | PDB
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UniChem
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PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
Bioorg Med Chem Lett 20: 922-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50310216
(3-[7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphen...)Show SMILES COC(=O)c1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C25H21F2N3O4/c1-32-24(31)18-4-2-3-16(11-18)19-13-23-28-10-9-20(30(23)29-19)17-7-8-21(34-25(26)27)22(12-17)33-14-15-5-6-15/h2-4,7-13,15,25H,5-6,14H2,1H3 | PDB
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PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
Bioorg Med Chem Lett 20: 922-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50252524
(CHEMBL493018 | tert-butyl 1-(2-cyanopiperazin-1-yl...)Show InChI InChI=1S/C15H26N4O3/c1-11(2)12(17-14(21)22-15(3,4)5)13(20)19-9-7-6-8-18(19)10-16/h11-12H,6-9H2,1-5H3,(H,17,21) | PDB
MMDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin B |
Bioorg Med Chem Lett 18: 3988-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.017
BindingDB Entry DOI: 10.7270/Q20V8CKF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50310241
(7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphenyl)...)Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)-c1ccnc2cc(nn12)-c1cccc(c1)C(F)F Show InChI InChI=1S/C24H19F4N3O2/c25-23(26)17-3-1-2-15(10-17)18-12-22-29-9-8-19(31(22)30-18)16-6-7-20(33-24(27)28)21(11-16)32-13-14-4-5-14/h1-3,6-12,14,23-24H,4-5,13H2 | PDB
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UniChem
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PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
Bioorg Med Chem Lett 20: 922-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S |
More data for this
Ligand-Target Pair | |
Cathepsin B
(Homo sapiens (Human)) | BDBM50252522
(2-(2-(3-cyanophenylamino)-3-methylbutanoyl)piperaz...)Show InChI InChI=1S/C17H21N5O/c1-13(2)16(20-15-7-5-6-14(10-15)11-18)17(23)22-9-4-3-8-21(22)12-19/h5-7,10,13,16,20H,3-4,8-9H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin B |
Bioorg Med Chem Lett 18: 3988-91 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.017
BindingDB Entry DOI: 10.7270/Q20V8CKF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50310212
(7-(3'-Cyclopentyloxy-4'-methoxyphenyl)-2-(3-methox...)Show SMILES COc1cccc(c1)-c1cc2nccc(-c3ccc(OC)c(OC4CCCC4)c3)n2n1 Show InChI InChI=1S/C25H25N3O3/c1-29-20-9-5-6-17(14-20)21-16-25-26-13-12-22(28(25)27-21)18-10-11-23(30-2)24(15-18)31-19-7-3-4-8-19/h5-6,9-16,19H,3-4,7-8H2,1-2H3 | PDB
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UniChem
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PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
Bioorg Med Chem Lett 20: 922-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50310236
(3-[7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphen...)Show SMILES CC(C)OC(=O)c1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C27H25F2N3O4/c1-16(2)35-26(33)20-5-3-4-18(12-20)21-14-25-30-11-10-22(32(25)31-21)19-8-9-23(36-27(28)29)24(13-19)34-15-17-6-7-17/h3-5,8-14,16-17,27H,6-7,15H2,1-2H3 | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
Bioorg Med Chem Lett 20: 922-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50310230
(3-[7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphen...)Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)-c1ccnc2cc(nn12)-c1cccc(NC#N)c1 Show InChI InChI=1S/C24H19F2N5O2/c25-24(26)33-21-7-6-17(11-22(21)32-13-15-4-5-15)20-8-9-28-23-12-19(30-31(20)23)16-2-1-3-18(10-16)29-14-27/h1-3,6-12,15,24,29H,4-5,13H2 | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
Bioorg Med Chem Lett 20: 922-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50310228
(CHEMBL598049 | {3-[7-(3'-Cyclopropylmethoxy-4'-dif...)Show SMILES CNc1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1 Show InChI InChI=1S/C24H22F2N4O2/c1-27-18-4-2-3-16(11-18)19-13-23-28-10-9-20(30(23)29-19)17-7-8-21(32-24(25)26)22(12-17)31-14-15-5-6-15/h2-4,7-13,15,24,27H,5-6,14H2,1H3 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Chemical Technology
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
Bioorg Med Chem Lett 20: 922-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S |
More data for this
Ligand-Target Pair | |
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