Found 414 hits with Last Name = 'shi' and Initial = 'jb' 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 |
|---|
Cholinesterase
(Equus caballus (Horse)) | BDBM50307814
(CHEMBL4176194)Show SMILES CCC1Oc2c(Br)cc(Cl)cc2C2CC(C)=NN2C1=O |c:16| Show InChI InChI=1S/C14H14BrClN2O2/c1-3-12-14(19)18-11(4-7(2)17-18)9-5-8(16)6-10(15)13(9)20-12/h5-6,11-12H,3-4H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Anhui Medical University
Curated by ChEMBL
| Assay Description
Non-competitive inhibition of equine serum BuChE using varying levels of butyrylthiocholine iodide as substrate preincubated for 20 mins followed by ... |
Eur J Med Chem 147: 194-204 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.002
BindingDB Entry DOI: 10.7270/Q2XG9TP4 |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Equus caballus (Horse)) | BDBM50307397
(CHEMBL4177151)Show SMILES CCC1Oc2c(Br)cc(Br)cc2C2CC(C)=NN2C1=O |c:16| Show InChI InChI=1S/C14H14Br2N2O2/c1-3-12-14(19)18-11(4-7(2)17-18)9-5-8(15)6-10(16)13(9)20-12/h5-6,11-12H,3-4H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Anhui Medical University
Curated by ChEMBL
| Assay Description
Mixed-type inhibition of equine serum BuChE using varying levels of butyrylthiocholine iodide as substrate preincubated for 20 mins followed by subst... |
Eur J Med Chem 147: 194-204 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.002
BindingDB Entry DOI: 10.7270/Q2XG9TP4 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50195235
(CHEMBL3900409 | US10287258, Example 2 | US10669245...)Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r| Show InChI InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1 | PDB
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human Cathepsin C in human THP-1 cells using H-Gly-Phe-AFC as substrate pretreated for 60 mins followed by substrate addition incubated... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4/3A5
(Homo sapiens (Human)) | BDBM8610
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1 | PDB
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| Article
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP3A4/5 in human liver microsomes using Midazolam as substrate measured after 20 mins by LC-MS/MS analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113174
BindingDB Entry DOI: 10.7270/Q26M3BM1 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50195235
(CHEMBL3900409 | US10287258, Example 2 | US10669245...)Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r| Show InChI InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1 | PDB
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CHEMBL
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human Cathepsin C in human U-937 cells using H-Gly-Phe-AFC as substrate pretreated for 60 mins followed by substrate addition incubated... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50593067
(CHEMBL3408216)Show SMILES Cn1ncc2cc(ccc12)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1 | PDB
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| PC cid
PC sid
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| Article
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00820
BindingDB Entry DOI: 10.7270/Q25X2DX9 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50195235
(CHEMBL3900409 | US10287258, Example 2 | US10669245...)Show SMILES Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r| Show InChI InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1 | PDB
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant Cathepsin C using H-Gly-Arg-AMC as substrate pretreated for 30 mins followed by substrate addition incubated for 60 m... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50573801
(CHEMBL4859234)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)C(F)(F)F)n2)nc1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human Cathepsin C in human U-937 cells using H-Gly-Phe-AFC as substrate pretreated for 60 mins followed by substrate addition incubated... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50573801
(CHEMBL4859234)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)C(F)(F)F)n2)nc1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human Cathepsin C in human THP-1 cells using H-Gly-Phe-AFC as substrate pretreated for 60 mins followed by substrate addition incubated... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50573816
(CHEMBL4869755)Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)C(F)(F)F)n2)nc1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human Cathepsin C in human U-937 cells using H-Gly-Phe-AFC as substrate pretreated for 60 mins followed by substrate addition incubated... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM8960
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3 | UniProtKB/SwissProt
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Anhui Medical University
Curated by ChEMBL
| Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured afte... |
Eur J Med Chem 147: 194-204 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.002
BindingDB Entry DOI: 10.7270/Q2XG9TP4 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50573805
(CHEMBL4852320)Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)C(F)(F)F)n2)nc1 | PDB
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antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human Cathepsin C in human THP-1 cells using H-Gly-Phe-AFC as substrate pretreated for 60 mins followed by substrate addition incubated... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50573816
(CHEMBL4869755)Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)C(F)(F)F)n2)nc1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant Cathepsin C using H-Gly-Arg-AMC as substrate pretreated for 30 mins followed by substrate addition incubated for 60 m... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50459995
(CHEMBL4225966 | US11471446, Compound DBA-10)Show InChI InChI=1S/C15H18Br2N4/c1-9-11(16)12(17)10-3-2-6-21-14(10)13(9)19-15(21)20-7-4-18-5-8-20/h18H,2-8H2,1H3 | PDB
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| Article
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00820
BindingDB Entry DOI: 10.7270/Q25X2DX9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50593078
(CHEMBL5188580)Show SMILES Cc1ccc(NC(=O)CCc2cccc(c2)-c2cnc3[nH]cc(Br)c3c2)cc1C(F)(F)F | PDB
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00820
BindingDB Entry DOI: 10.7270/Q25X2DX9 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50573805
(CHEMBL4852320)Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)C(F)(F)F)n2)nc1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human Cathepsin C in human U-937 cells using H-Gly-Phe-AFC as substrate pretreated for 60 mins followed by substrate addition incubated... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50121975
((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of CYP2D6 in human liver microsomes using Dextromethorphan as substrate measured after 20 mins by LC-MS/MS analysis |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113174
BindingDB Entry DOI: 10.7270/Q26M3BM1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50573816
(CHEMBL4869755)Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)C(F)(F)F)n2)nc1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human Cathepsin C in human THP-1 cells using H-Gly-Phe-AFC as substrate pretreated for 60 mins followed by substrate addition incubated... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50593061
(CHEMBL5183704)Show SMILES Cc1ccc(NC(=O)CCc2cccc(c2)-c2cnc3[nH]ccc3c2)cc1C(F)(F)F | PDB
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| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00820
BindingDB Entry DOI: 10.7270/Q25X2DX9 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50573824
(CHEMBL4847055)Show SMILES FC(F)(F)c1cccc(Nc2nc(Nc3ccc(cn3)-c3ccsc3)ncc2Cl)c1 | PDB
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human Cathepsin C in human THP-1 cells using H-Gly-Phe-AFC as substrate pretreated for 60 mins followed by substrate addition incubated... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50573828
(CHEMBL4859540)Show SMILES FC(F)(F)c1cccc(Nc2ccnc(Nc3ccc(cn3)-c3ccsc3)n2)c1 | PDB
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant Cathepsin C using H-Gly-Arg-AMC as substrate pretreated for 30 mins followed by substrate addition incubated for 60 m... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50593074
(CHEMBL5199633)Show SMILES Cc1ccc(NC(=O)\C=C\c2cccc(c2)-c2cnc3[nH]ccc3c2)cc1C(F)(F)F | PDB
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| PC cid
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| Article
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| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00820
BindingDB Entry DOI: 10.7270/Q25X2DX9 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50573811
(CHEMBL4873553)Show SMILES FC(F)(F)c1cccc(Nc2nc(Nc3ccc(cn3)N3CCNCC3)ncc2Cl)c1 | PDB
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| PC cid
PC sid
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| Article
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| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human Cathepsin C in human THP-1 cells using H-Gly-Phe-AFC as substrate pretreated for 60 mins followed by substrate addition incubated... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50593069
(CHEMBL5193550)Show SMILES Cc1ccc(NC(=O)Cc2cccc(c2)-c2cnc3[nH]ccc3c2)cc1C(F)(F)F | PDB
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| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00820
BindingDB Entry DOI: 10.7270/Q25X2DX9 |
More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50605739
(CHEMBL5199685)Show SMILES CCc1ccccc1NC(=O)c1cncc(c1)-c1ccc(cc1)C(=O)N1CCNCC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00356
BindingDB Entry DOI: 10.7270/Q2FT8R4V |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50573825
(CHEMBL4861702)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(Nc3cccc(c3)C(F)(F)F)n2)nc1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant Cathepsin C using H-Gly-Arg-AMC as substrate pretreated for 30 mins followed by substrate addition incubated for 60 m... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50573824
(CHEMBL4847055)Show SMILES FC(F)(F)c1cccc(Nc2nc(Nc3ccc(cn3)-c3ccsc3)ncc2Cl)c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant Cathepsin C using H-Gly-Arg-AMC as substrate pretreated for 30 mins followed by substrate addition incubated for 60 m... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50573801
(CHEMBL4859234)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)C(F)(F)F)n2)nc1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant Cathepsin C using H-Gly-Arg-AMC as substrate pretreated for 30 mins followed by substrate addition incubated for 60 m... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50573805
(CHEMBL4852320)Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)C(F)(F)F)n2)nc1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant Cathepsin C using H-Gly-Arg-AMC as substrate pretreated for 30 mins followed by substrate addition incubated for 60 m... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50573828
(CHEMBL4859540)Show SMILES FC(F)(F)c1cccc(Nc2ccnc(Nc3ccc(cn3)-c3ccsc3)n2)c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human Cathepsin C in human U-937 cells using H-Gly-Phe-AFC as substrate pretreated for 60 mins followed by substrate addition incubated... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50573820
(CHEMBL4867247)Show SMILES CN(C)c1ccc(cc1)-c1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)C(F)(F)F)n2)nc1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant Cathepsin C using H-Gly-Arg-AMC as substrate pretreated for 30 mins followed by substrate addition incubated for 60 m... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50593065
(CHEMBL5186605)Show SMILES Fc1cc(F)cc(NC(=O)CCc2cccc(c2)-c2cnc3[nH]ccc3c2)c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00820
BindingDB Entry DOI: 10.7270/Q25X2DX9 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50593066
(CHEMBL5203621)Show SMILES FC(F)(F)c1cc(NC(=O)CCc2cccc(c2)-c2cnc3[nH]ccc3c2)ccc1NCCN1CCOCC1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00820
BindingDB Entry DOI: 10.7270/Q25X2DX9 |
More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50605736
(CHEMBL5197084)Show SMILES COc1cccc(NC(=O)c2cncc(c2)-c2ccc(cc2)C(=O)N2CCNCC2)c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00356
BindingDB Entry DOI: 10.7270/Q2FT8R4V |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50573829
(CHEMBL4875307)Show SMILES Fc1cnc(Nc2ccc(cn2)-c2ccsc2)nc1Nc1cccc(c1)C(F)(F)F | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant Cathepsin C using H-Gly-Arg-AMC as substrate pretreated for 30 mins followed by substrate addition incubated for 60 m... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50573825
(CHEMBL4861702)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(Nc3cccc(c3)C(F)(F)F)n2)nc1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human Cathepsin C in human THP-1 cells using H-Gly-Phe-AFC as substrate pretreated for 60 mins followed by substrate addition incubated... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50593077
(CHEMBL5187110)Show SMILES Cc1ccc(NC(=O)CCc2cccc(c2)-c2cnc3[nH]cc(Cl)c3c2)cc1C(F)(F)F | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00820
BindingDB Entry DOI: 10.7270/Q25X2DX9 |
More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50605734
(CHEMBL5185339)Show SMILES Cc1ccccc1NC(=O)c1cncc(c1)-c1ccc(cc1)C(=O)N1CCNCC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00356
BindingDB Entry DOI: 10.7270/Q2FT8R4V |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM50593068
(CHEMBL5169620)Show SMILES FC(F)(F)c1cc(ccc1Cl)C(=O)NCCc1cccc(c1)-c1cnc2[nH]ccc2c1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00820
BindingDB Entry DOI: 10.7270/Q25X2DX9 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50573832
(CHEMBL4869853)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Oc3cccc(c3)C(F)(F)F)n2)nc1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human Cathepsin C in human U-937 cells using H-Gly-Phe-AFC as substrate pretreated for 60 mins followed by substrate addition incubated... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 8
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00820
BindingDB Entry DOI: 10.7270/Q25X2DX9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-C
(Homo sapiens (Human)) | BDBM50605723
(CHEMBL5176173)Show SMILES Oc1cc(cc2oc(cc(=O)c12)-c1ccccc1)-c1ccc(cc1)C(=O)N1CCNCC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00356
BindingDB Entry DOI: 10.7270/Q2FT8R4V |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50573824
(CHEMBL4847055)Show SMILES FC(F)(F)c1cccc(Nc2nc(Nc3ccc(cn3)-c3ccsc3)ncc2Cl)c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human Cathepsin C in human U-937 cells using H-Gly-Phe-AFC as substrate pretreated for 60 mins followed by substrate addition incubated... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50573829
(CHEMBL4875307)Show SMILES Fc1cnc(Nc2ccc(cn2)-c2ccsc2)nc1Nc1cccc(c1)C(F)(F)F | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human Cathepsin C in human U-937 cells using H-Gly-Phe-AFC as substrate pretreated for 60 mins followed by substrate addition incubated... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50605733
(CHEMBL5194157)Show SMILES Cc1cccc(NC(=O)c2cncc(c2)-c2ccc(cc2)C(=O)N2CCNCC2)c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00356
BindingDB Entry DOI: 10.7270/Q2FT8R4V |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50573806
(CHEMBL4853612)Show SMILES CCCN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(c3)C(F)(F)F)n2)nc1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human Cathepsin C in human THP-1 cells using H-Gly-Phe-AFC as substrate pretreated for 60 mins followed by substrate addition incubated... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50573833
(CHEMBL4858382)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Oc3cccc(c3)C(F)(F)F)n2)cc1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human Cathepsin C in human THP-1 cells using H-Gly-Phe-AFC as substrate pretreated for 60 mins followed by substrate addition incubated... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 1
(Homo sapiens (Human)) | BDBM50573811
(CHEMBL4873553)Show SMILES FC(F)(F)c1cccc(Nc2nc(Nc3ccc(cn3)N3CCNCC3)ncc2Cl)c1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human recombinant Cathepsin C using H-Gly-Arg-AMC as substrate pretreated for 30 mins followed by substrate addition incubated for 60 m... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00104
BindingDB Entry DOI: 10.7270/Q2QZ2FS7 |
More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50605729
(CHEMBL5182399)Show SMILES O=C(Nc1ccccc1)c1ccnc(c1)-c1ccc(cc1)C(=O)N1CCNCC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00356
BindingDB Entry DOI: 10.7270/Q2FT8R4V |
More data for this
Ligand-Target Pair | |
Cyclin-C
(Homo sapiens (Human)) | BDBM50605728
(CHEMBL5178431)Show SMILES O=C(Nc1ccccc1)c1cncc(c1)-c1ccc(cc1)C(=O)N1CCNCC1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00356
BindingDB Entry DOI: 10.7270/Q2FT8R4V |
More data for this
Ligand-Target Pair | |
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