Found 138 hits with Last Name = 'feldmann' and Initial = 'c' 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 |
|---|
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180036
((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50180036
((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 0.797 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50228072
(1,9-dihydroxy-3-(1',1'-dimethylheptyl)-6H-benzo[c]...)Show SMILES CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(O)cc21 Show InChI InChI=1S/C22H26O4/c1-4-5-6-7-10-22(2,3)14-11-18(24)20-17-13-15(23)8-9-16(17)21(25)26-19(20)12-14/h8-9,11-13,23-24H,4-7,10H2,1-3H3 | PDB
Reactome pathway
KEGG
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PC sid
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| Article
PubMed
| 0.820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50265650
(2-(N-(2,5-dimethoxyphenyl)-4-methylphenylsulfonami...)Show SMILES COc1ccc(OC)c(c1)N(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C23H25N3O5S/c1-17-4-7-20(8-5-17)32(28,29)26(21-14-19(30-2)6-9-22(21)31-3)16-23(27)25-15-18-10-12-24-13-11-18/h4-14H,15-16H2,1-3H3,(H,25,27) | PDB
Reactome pathway
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PubMed
| 1.35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50265648
(8-hexyl-3,5,5-trimethyl-2,3,4,5-tetrahydro-1H-chro...)Show SMILES CCCCCCc1cc(O)c2C3=C(CN(C)CC3)C(C)(C)Oc2c1 |t:11| Show InChI InChI=1S/C21H31NO2/c1-5-6-7-8-9-15-12-18(23)20-16-10-11-22(4)14-17(16)21(2,3)24-19(20)13-15/h12-13,23H,5-11,14H2,1-4H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cysteine protease
(Trypanosoma brucei rhodesiense) | BDBM50505323
(CHEMBL4556848)Show SMILES CCC[C@H]1CC[C@@H](CC1)N(Cc1ccc2OCOc2c1)c1nc(nc(n1)N1CCOCC1)C#N |r,wU:6.9,wD:3.2,(35.77,-15.92,;34.44,-15.15,;33.11,-15.91,;31.77,-15.14,;31.78,-13.6,;30.44,-12.82,;29.12,-13.59,;29.11,-15.13,;30.44,-15.9,;27.78,-12.82,;26.45,-13.59,;26.45,-15.13,;27.78,-15.89,;27.79,-17.43,;26.45,-18.21,;26.13,-19.72,;24.59,-19.88,;23.96,-18.47,;25.11,-17.43,;25.11,-15.9,;27.78,-11.28,;29.12,-10.51,;29.12,-8.96,;27.78,-8.2,;26.45,-8.97,;26.45,-10.51,;25.12,-8.2,;25.12,-6.65,;23.8,-5.88,;22.46,-6.64,;22.45,-8.18,;23.79,-8.96,;30.44,-8.18,;31.77,-7.41,)| Show InChI InChI=1S/C25H32N6O3/c1-2-3-18-4-7-20(8-5-18)31(16-19-6-9-21-22(14-19)34-17-33-21)25-28-23(15-26)27-24(29-25)30-10-12-32-13-11-30/h6,9,14,18,20H,2-5,7-8,10-13,16-17H2,1H3/t18-,20- | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of S£o Paulo
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain |
J Med Chem 62: 10497-10525 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00683
BindingDB Entry DOI: 10.7270/Q2K93BT1 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50265687
(CHEMBL496781 | N-(2-ethylphenyl)-2-(5-(2-methoxyph...)Show SMILES CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccccc1 Show InChI InChI=1S/C25H24N4O2S/c1-3-18-11-7-9-15-21(18)26-23(30)17-32-25-28-27-24(20-14-8-10-16-22(20)31-2)29(25)19-12-5-4-6-13-19/h4-16H,3,17H2,1-2H3,(H,26,30) | PDB
Reactome pathway
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| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180036
((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetra...)Show SMILES CCCC(C)(C)c1ccc2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |r,c:13| Show InChI InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1 | PDB
Reactome pathway
KEGG
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CHEMBL
PC cid
PC sid
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| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50560498
(CHEMBL4763197)Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)C(=O)NC1(CC1)C#N |r| | PDB
MMDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50265747
((4-methylnaphthalen-1-yl)(1-propyl-1H-indol-3-yl)m...)Show InChI InChI=1S/C23H21NO/c1-3-14-24-15-21(19-10-6-7-11-22(19)24)23(25)20-13-12-16(2)17-8-4-5-9-18(17)20/h4-13,15H,3,14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50265647
((3-methoxynaphthalen-2-yl)(1-pentyl-1H-indol-3-yl)...)Show InChI InChI=1S/C25H25NO2/c1-3-4-9-14-26-17-22(20-12-7-8-13-23(20)26)25(27)21-15-18-10-5-6-11-19(18)16-24(21)28-2/h5-8,10-13,15-17H,3-4,9,14H2,1-2H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222797
((2-cyclopentyl-4-(methylsulfonyl)-1,2,3,4-tetrahyd...)Show SMILES CC1CCN(CC1)C(=O)c1ccc2n(c3CN(Cc3c2c1)C1CCCC1)S(C)(=O)=O Show InChI InChI=1S/C23H31N3O3S/c1-16-9-11-24(12-10-16)23(27)17-7-8-21-19(13-17)20-14-25(18-5-3-4-6-18)15-22(20)26(21)30(2,28)29/h7-8,13,16,18H,3-6,9-12,14-15H2,1-2H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cysteine protease
(Trypanosoma brucei rhodesiense) | BDBM50505321
(CHEMBL2402091)Show SMILES N#Cc1nc(nc(n1)N1CCOCC1)N(Cc1ccc2OCOc2c1)C1CCCCC1 Show InChI InChI=1S/C22H26N6O3/c23-13-20-24-21(27-8-10-29-11-9-27)26-22(25-20)28(17-4-2-1-3-5-17)14-16-6-7-18-19(12-16)31-15-30-18/h6-7,12,17H,1-5,8-11,14-15H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of S£o Paulo
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain |
J Med Chem 62: 10497-10525 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00683
BindingDB Entry DOI: 10.7270/Q2K93BT1 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222793
((4-(ethylsulfonyl)-2-propyl-1,2,3,4-tetrahydropyrr...)Show SMILES CCCN1Cc2c(C1)c1cc(ccc1n2S(=O)(=O)CC)C(=O)N1CCC(C)CC1 Show InChI InChI=1S/C22H31N3O3S/c1-4-10-23-14-19-18-13-17(22(26)24-11-8-16(3)9-12-24)6-7-20(18)25(21(19)15-23)29(27,28)5-2/h6-7,13,16H,4-5,8-12,14-15H2,1-3H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50234418
((2,3-Dichloro-phenyl)-[5-methoxy-2-methyl-3-(2-mor...)Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1 Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3 | PDB
Reactome pathway
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MCE
PC cid
PC sid
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| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50240608
(2-(1-(2,3-dichlorobenzoyl)-5-methoxy-2-methyl-1H-i...)Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CC(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C23H22Cl2N2O4/c1-14-17(13-21(28)26-8-10-31-11-9-26)18-12-15(30-2)6-7-20(18)27(14)23(29)16-4-3-5-19(24)22(16)25/h3-7,12H,8-11,13H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50560496
(CHEMBL4790787)Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccc(F)cc1)C(=O)NC1(CC1)C#N |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM21283
(3-[(2-iodo-5-nitrophenyl)carbonyl]-1-[(1-methylpip...)Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cc(ccc2I)[N+]([O-])=O)c2ccccc12 Show InChI InChI=1S/C22H22IN3O3/c1-24-11-5-4-6-16(24)13-25-14-19(17-7-2-3-8-21(17)25)22(27)18-12-15(26(28)29)9-10-20(18)23/h2-3,7-10,12,14,16H,4-6,11,13H2,1H3 | PDB
Reactome pathway
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PC cid
PC sid
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| Article
PubMed
| 15.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50265755
((6aR,10aR)-1-methoxy-6,6,9-trimethyl-3-(2-methylhe...)Show SMILES CCCCCC(C)(C)c1cc(OC)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:15| Show InChI InChI=1S/C25H38O2/c1-8-9-10-13-24(3,4)18-15-21(26-7)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h14-16,19-20H,8-13H2,1-7H3/t19-,20-/m1/s1 | PDB
Reactome pathway
KEGG
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PC sid
UniChem
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| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50240605
((2,3-Dichloro-phenyl)-(5-methoxy-2-methyl-3-morpho...)Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CN3CCOCC3)c2c1 Show InChI InChI=1S/C22H22Cl2N2O3/c1-14-18(13-25-8-10-29-11-9-25)17-12-15(28-2)6-7-20(17)26(14)22(27)16-4-3-5-19(23)21(16)24/h3-7,12H,8-11,13H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50265621
(((1R,4S,5R)-4-(2,6-dimethoxy-4-(2-methyloctan-2-yl...)Show SMILES CCCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@@H]3C[C@H]2C3(C)C)c(OC)c1 |r,t:16| Show InChI InChI=1S/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21-,22+/m0/s1 | PDB
Reactome pathway
KEGG
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CHEMBL
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| Article
PubMed
| 22.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50265758
((1R,3R)-1-(2,6-dimethoxy-4-(2-methyloctan-2-yl)phe...)Show SMILES CCCCCCC(C)(C)c1cc(OC)c(c(OC)c1)[C@@]1(O)CCC[C@@H](C)C1 |r| Show InChI InChI=1S/C24H40O3/c1-7-8-9-10-13-23(3,4)19-15-20(26-5)22(21(16-19)27-6)24(25)14-11-12-18(2)17-24/h15-16,18,25H,7-14,17H2,1-6H3/t18-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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PC sid
UniChem
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| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50560498
(CHEMBL4763197)Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)C(=O)NC1(CC1)C#N |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50560495
(CHEMBL4797550)Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NC1(CC1)C#N |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50560487
(CHEMBL4760449)Show SMILES Clc1cccc(c1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50560502
(CHEMBL4743577)Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(c1)-c1ccccc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| PC cid
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| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50222794
((2-cyclopentyl-4-(ethylsulfonyl)-1,2,3,4-tetrahydr...)Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N1CCC(CC1)OC)C1CCCC1 Show InChI InChI=1S/C24H33N3O4S/c1-3-32(29,30)27-22-9-8-17(24(28)25-12-10-19(31-2)11-13-25)14-20(22)21-15-26(16-23(21)27)18-6-4-5-7-18/h8-9,14,18-19H,3-7,10-13,15-16H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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PubMed
| 27.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50560489
(CHEMBL4799671)Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NC1(CC1)C#N |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50265754
((6-methoxynaphthalen-1-yl)(2-methyl-1-propyl-1H-in...)Show SMILES CCCn1c(C)c(C(=O)c2cccc3cc(OC)ccc23)c2ccccc12 Show InChI InChI=1S/C24H23NO2/c1-4-14-25-16(2)23(21-9-5-6-11-22(21)25)24(26)20-10-7-8-17-15-18(27-3)12-13-19(17)20/h5-13,15H,4,14H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
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PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50560485
(CHEMBL4779451)Show SMILES Fc1ccc(cc1)-c1cccc(c1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z |
More data for this
Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM50505321
(CHEMBL2402091)Show SMILES N#Cc1nc(nc(n1)N1CCOCC1)N(Cc1ccc2OCOc2c1)C1CCCCC1 Show InChI InChI=1S/C22H26N6O3/c23-13-20-24-21(27-8-10-29-11-9-27)26-22(25-20)28(17-4-2-1-3-5-17)14-16-6-7-18-19(12-16)31-15-30-18/h6-7,12,17H,1-5,8-11,14-15H2 | PDB
MMDB
Reactome pathway
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| PC cid
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UniChem
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of S£o Paulo
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin L |
J Med Chem 62: 10497-10525 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00683
BindingDB Entry DOI: 10.7270/Q2K93BT1 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50560492
(CHEMBL4761912)Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C#N |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50560501
(CHEMBL4788237)Show SMILES Fc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50265756
((2-methoxynaphthalen-1-yl)(2-methyl-1-pentyl-1H-in...)Show SMILES CCCCCn1c(C)c(C(=O)c2c(OC)ccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H27NO2/c1-4-5-10-17-27-18(2)24(21-13-8-9-14-22(21)27)26(28)25-20-12-7-6-11-19(20)15-16-23(25)29-3/h6-9,11-16H,4-5,10,17H2,1-3H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50560494
(CHEMBL4748529)Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1)C(=O)NC1(CC1)C#N |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50560491
(CHEMBL4788083)Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50560492
(CHEMBL4761912)Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C#N |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50560496
(CHEMBL4790787)Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccc(F)cc1)C(=O)NC1(CC1)C#N |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50265686
((S)-2-(4-bromo-N-(4-ethoxyphenyl)phenylsulfonamido...)Show SMILES CCOc1ccc(cc1)N(CC(=O)N[C@@H](C)CC)S(=O)(=O)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C20H25BrN2O4S/c1-4-15(3)22-20(24)14-23(17-8-10-18(11-9-17)27-5-2)28(25,26)19-12-6-16(21)7-13-19/h6-13,15H,4-5,14H2,1-3H3,(H,22,24)/t15-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| >50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50265649
(2-(4-benzyl-5-m-tolyl-4H-1,2,4-triazol-3-ylthio)-N...)Show SMILES Cc1cccc(c1)-c1nnc(SCC(=O)NC2CCCCC2)n1Cc1ccccc1 Show InChI InChI=1S/C24H28N4OS/c1-18-9-8-12-20(15-18)23-26-27-24(28(23)16-19-10-4-2-5-11-19)30-17-22(29)25-21-13-6-3-7-14-21/h2,4-5,8-12,15,21H,3,6-7,13-14,16-17H2,1H3,(H,25,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
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antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50265687
(CHEMBL496781 | N-(2-ethylphenyl)-2-(5-(2-methoxyph...)Show SMILES CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccccc1 Show InChI InChI=1S/C25H24N4O2S/c1-3-18-11-7-9-15-21(18)26-23(30)17-32-25-28-27-24(20-14-8-10-16-22(20)31-2)29(25)19-12-5-4-6-13-19/h4-16H,3,17H2,1-2H3,(H,26,30) | PDB
NCI pathway
Reactome pathway
KEGG
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CHEMBL
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| Article
PubMed
| >50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50265650
(2-(N-(2,5-dimethoxyphenyl)-4-methylphenylsulfonami...)Show SMILES COc1ccc(OC)c(c1)N(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C23H25N3O5S/c1-17-4-7-20(8-5-17)32(28,29)26(21-14-19(30-2)6-9-22(21)31-3)16-23(27)25-15-18-10-12-24-13-11-18/h4-14H,15-16H2,1-3H3,(H,25,27) | PDB
NCI pathway
Reactome pathway
KEGG
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UniProtKB/TrEMBL
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50265651
(2-(butylthio)-3-phenethyl-3H-spiro[benzo[h]quinazo...)Show SMILES CCCCSc1nc2-c3ccccc3CC3(CCCC3)c2c(=O)n1CCc1ccccc1 Show InChI InChI=1S/C28H32N2OS/c1-2-3-19-32-27-29-25-23-14-8-7-13-22(23)20-28(16-9-10-17-28)24(25)26(31)30(27)18-15-21-11-5-4-6-12-21/h4-8,11-14H,2-3,9-10,15-20H2,1H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
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GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50265685
(CHEMBL523749 | N1-(4-bromophenyl)-N2,N2-dipentylph...)Show SMILES CCCCCN(CCCCC)C(=O)c1ccccc1C(=O)Nc1ccc(Br)cc1 Show InChI InChI=1S/C24H31BrN2O2/c1-3-5-9-17-27(18-10-6-4-2)24(29)22-12-8-7-11-21(22)23(28)26-20-15-13-19(25)14-16-20/h7-8,11-16H,3-6,9-10,17-18H2,1-2H3,(H,26,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
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GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50265648
(8-hexyl-3,5,5-trimethyl-2,3,4,5-tetrahydro-1H-chro...)Show SMILES CCCCCCc1cc(O)c2C3=C(CN(C)CC3)C(C)(C)Oc2c1 |t:11| Show InChI InChI=1S/C21H31NO2/c1-5-6-7-8-9-15-12-18(23)20-16-10-11-22(4)14-17(16)21(2,3)24-19(20)13-15/h12-13,23H,5-11,14H2,1-4H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor |
J Med Chem 52: 369-78 (2009)
Article DOI: 10.1021/jm801044g
BindingDB Entry DOI: 10.7270/Q2VQ33M2 |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50560489
(CHEMBL4799671)Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)NC1(CC1)C#N |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50560488
(CHEMBL4762158)Show SMILES CC(C)C[C@@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)C(=O)NC1(CC1)C#N |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50560494
(CHEMBL4748529)Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1)C(=O)NC1(CC1)C#N |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z |
More data for this
Ligand-Target Pair | |
Cathepsin K
(Homo sapiens (Human)) | BDBM50560500
(CHEMBL4746892)Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human cathepsin K expressed in insect cells using Z-Leu-Arg-AMC as substrate measured after 60 mins by fluorimetric assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z |
More data for this
Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM50560500
(CHEMBL4746892)Show SMILES CC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C#N |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human cathepsin S expressed in insect cells using Z-Phe-Arg-AMC as substrate measured after 60 mins by fluorimetric assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127420
BindingDB Entry DOI: 10.7270/Q2S75M1Z |
More data for this
Ligand-Target Pair | |
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