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SMILES: COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50602544   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Procathepsin L


(Homo sapiens (Human))
BDBM50602544
PNG
(CHEMBL4594757)
Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2|
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PC sid
UniChem
Article
PubMed
2.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01494
BindingDB Entry DOI: 10.7270/Q2FR01PM
More data for this
Ligand-Target Pair
Procathepsin L


(Mus musculus)
BDBM50602544
PNG
(CHEMBL4594757)
Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2|
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UniChem
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4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01494
BindingDB Entry DOI: 10.7270/Q2FR01PM
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50602544
PNG
(CHEMBL4594757)
Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2|
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853n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01494
BindingDB Entry DOI: 10.7270/Q2FR01PM
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50602544
PNG
(CHEMBL4594757)
Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2|
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n/an/a 0.190n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02063
BindingDB Entry DOI: 10.7270/Q2NZ8CQ5
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50602544
PNG
(CHEMBL4594757)
Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2|
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n/an/a 17.9n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01494
BindingDB Entry DOI: 10.7270/Q2FR01PM
More data for this
Ligand-Target Pair
Cathepsin L2


(Homo sapiens (Human))
BDBM50602544
PNG
(CHEMBL4594757)
Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2|
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n/an/a 63.2n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01494
BindingDB Entry DOI: 10.7270/Q2FR01PM
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50602544
PNG
(CHEMBL4594757)
Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2|
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UniChem
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n/an/a 0.416n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01494
BindingDB Entry DOI: 10.7270/Q2FR01PM
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50602544
PNG
(CHEMBL4594757)
Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2|
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UniChem
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n/an/a 0.00600n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01494
BindingDB Entry DOI: 10.7270/Q2FR01PM
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50602544
PNG
(CHEMBL4594757)
Show SMILES COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2|
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n/an/a 0.0150n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01494
BindingDB Entry DOI: 10.7270/Q2FR01PM
More data for this
Ligand-Target Pair