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Compile Data Set for Download or QSAR

Found 118 hits Enz. Inhib. hit(s) with all data for entry = 50017942   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50606383
PNG
(CHEMBL5209489)
Show SMILES CSCC[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1CC(N)=O |r|
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n/an/a 0.0440n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50606385
PNG
(CHEMBL5203315)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1CC(N)=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50606395
PNG
(CHEMBL5207094)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCCNC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1)C(=O)N(C)[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1CC(N)=O |r|
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n/an/a 0.0510n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50606386
PNG
(CHEMBL5182207)
Show SMILES CC[C@H](C)[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1CC(N)=O |r|
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n/an/a 0.0550n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50606384
PNG
(CHEMBL5183245)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1CCC[C@H]1CC(N)=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50606380
PNG
(CHEMBL5191373)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(N)=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50606390
PNG
(CHEMBL5185612)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1CC(N)=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50606381
PNG
(CHEMBL5198135)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(N)=O |r|
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n/an/a 0.0780n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50606377
PNG
(CHEMBL5186594)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1C(N)=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50606378
PNG
(CHEMBL5170274)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCCS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1C(N)=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50606388
PNG
(CHEMBL5203492)
Show SMILES CC[C@H](C)[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1CC(N)=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50606382
PNG
(CHEMBL5191820)
Show SMILES CC[C@H](C)[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1C(N)=O |r|
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n/an/a 0.0970n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50606392
PNG
(CHEMBL5178802)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNC(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)N(C)[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1CC(N)=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50606379
PNG
(CHEMBL5180149)
Show SMILES CSCC[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1C(N)=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50606387
PNG
(CHEMBL5206852)
Show SMILES CC[C@H](C)[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1CC(N)=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50606396
PNG
(CHEMBL5206743)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCCCNC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1)C(=O)N(C)[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1CC(N)=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50606393
PNG
(CHEMBL5190160)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1)C(=O)N(C)[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1CC(N)=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50606391
PNG
(CHEMBL5207603)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1CC(N)=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50606397
PNG
(CHEMBL5169565)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCCCNC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1)C(=O)N(C)[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1CC(N)=O |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50606376
PNG
(CHEMBL5202634)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50606394
PNG
(CHEMBL5177058)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCNC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1)C(=O)N(C)[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1CC(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50606389
PNG
(CHEMBL5209121)
Show SMILES CC[C@H](C)[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1CC(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50606384
PNG
(CHEMBL5183245)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1CCC[C@H]1CC(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50606383
PNG
(CHEMBL5209489)
Show SMILES CSCC[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1CC(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50606373
PNG
(CHEMBL5185823)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCCNS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50606380
PNG
(CHEMBL5191373)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50606386
PNG
(CHEMBL5182207)
Show SMILES CC[C@H](C)[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1CC(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50062351
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-2-(1H-indol-3-yl)-1-met...)
Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |r|
Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50606385
PNG
(CHEMBL5203315)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1CC(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50606383
PNG
(CHEMBL5209489)
Show SMILES CSCC[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1CC(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50606378
PNG
(CHEMBL5170274)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCCS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50606371
PNG
(CHEMBL5209314)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCNS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50606379
PNG
(CHEMBL5180149)
Show SMILES CSCC[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50606379
PNG
(CHEMBL5180149)
Show SMILES CSCC[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50606372
PNG
(CHEMBL5185388)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50606380
PNG
(CHEMBL5191373)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50606386
PNG
(CHEMBL5182207)
Show SMILES CC[C@H](C)[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1CC(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50606377
PNG
(CHEMBL5186594)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50606384
PNG
(CHEMBL5183245)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1CCC[C@H]1CC(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50606382
PNG
(CHEMBL5191820)
Show SMILES CC[C@H](C)[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1C(N)=O |r|
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PC sid
UniChem
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n/an/a 16n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50606382
PNG
(CHEMBL5191820)
Show SMILES CC[C@H](C)[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1C(N)=O |r|
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n/an/a 18n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50606386
PNG
(CHEMBL5182207)
Show SMILES CC[C@H](C)[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N1CCC[C@H]1CC(N)=O |r|
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n/an/a 21n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50606381
PNG
(CHEMBL5198135)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(N)=O |r|
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UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00613
BindingDB Entry DOI: 10.7270/Q2KD231G
More data for this
Ligand-Target Pair
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