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PubMed code 2153207

Compile data set for download or QSAR
Found 31 hits of Enzyme Inhibition Constant Data   
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
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50367929
PNG
(CHEMBL1744401)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC([O-])=O |r|
Show InChI InChI=1S/C26H36N3O8P/c1-4-18(3)24(29-38(34,35)37-5-2)26(33)28-22(25(32)27-16-23(30)31)15-19-11-13-21(14-12-19)36-17-20-9-7-6-8-10-20/h6-14,18,22,24H,4-5,15-17H2,1-3H3,(H,27,32)(H,28,33)(H,30,31)(H2,29,34,35)/p-2/t18-,22?,24-/m0/s1
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 200n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibitory activity against Angiotensin I converting enzyme

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50013124
PNG
(N-(Ethylphosphoryl)-L-isoleucyl-L-Trp-NHCH3)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC
Show InChI InChI=1S/C20H31N4O5P/c1-5-13(3)18(24-30(27,28)29-6-2)20(26)23-17(19(25)21-4)11-14-12-22-16-10-8-7-9-15(14)16/h7-10,12-13,17-18,22H,5-6,11H2,1-4H3,(H,21,25)(H,23,26)(H2,24,27,28)/p-1/t13-,17?,18-/m0/s1
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 900n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50013124
PNG
(N-(Ethylphosphoryl)-L-isoleucyl-L-Trp-NHCH3)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC
Show InChI InChI=1S/C20H31N4O5P/c1-5-13(3)18(24-30(27,28)29-6-2)20(26)23-17(19(25)21-4)11-14-12-22-16-10-8-7-9-15(14)16/h7-10,12-13,17-18,22H,5-6,11H2,1-4H3,(H,21,25)(H,23,26)(H2,24,27,28)/p-1/t13-,17?,18-/m0/s1
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 1.50E+3n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)		BDBM50367929
PNG
(CHEMBL1744401)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC([O-])=O |r|
Show InChI InChI=1S/C26H36N3O8P/c1-4-18(3)24(29-38(34,35)37-5-2)26(33)28-22(25(32)27-16-23(30)31)15-19-11-13-21(14-12-19)36-17-20-9-7-6-8-10-20/h6-14,18,22,24H,4-5,15-17H2,1-3H3,(H,27,32)(H,28,33)(H,30,31)(H2,29,34,35)/p-2/t18-,22?,24-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of bacterial Collagenase

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50367932
PNG
(CHEMBL1744403)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCc2cc(Cl)cc(Cl)c2)cc1)C(=O)NCC([O-])=O |r|
Show InChI InChI=1S/C26H34Cl2N3O8P/c1-4-16(3)24(31-40(36,37)39-5-2)26(35)30-22(25(34)29-14-23(32)33)12-17-6-8-21(9-7-17)38-15-18-10-19(27)13-20(28)11-18/h6-11,13,16,22,24H,4-5,12,14-15H2,1-3H3,(H,29,34)(H,30,35)(H,32,33)(H2,31,36,37)/p-2/t16-,22?,24-/m0/s1
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 5.70E+3n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50367929
PNG
(CHEMBL1744401)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC([O-])=O |r|
Show InChI InChI=1S/C26H36N3O8P/c1-4-18(3)24(29-38(34,35)37-5-2)26(33)28-22(25(32)27-16-23(30)31)15-19-11-13-21(14-12-19)36-17-20-9-7-6-8-10-20/h6-14,18,22,24H,4-5,15-17H2,1-3H3,(H,27,32)(H,28,33)(H,30,31)(H2,29,34,35)/p-2/t18-,22?,24-/m0/s1
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 6.70E+3n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50367926
PNG
(CHEMBL2369487)
Show SMILES [K+].[K+].CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC([O-])=O |r|
Show InChI InChI=1S/C21H31N4O7P.2K/c1-4-13(3)19(25-33(30,31)32-5-2)21(29)24-17(20(28)23-12-18(26)27)10-14-11-22-16-9-7-6-8-15(14)16;;/h6-9,11,13,17,19,22H,4-5,10,12H2,1-3H3,(H,23,28)(H,24,29)(H,26,27)(H2,25,30,31);;/q;2*+1/p-2/t13-,17-,19-;;/m0../s1
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 1.30E+4n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50367932
PNG
(CHEMBL1744403)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCc2cc(Cl)cc(Cl)c2)cc1)C(=O)NCC([O-])=O |r|
Show InChI InChI=1S/C26H34Cl2N3O8P/c1-4-16(3)24(31-40(36,37)39-5-2)26(35)30-22(25(34)29-14-23(32)33)12-17-6-8-21(9-7-17)38-15-18-10-19(27)13-20(28)11-18/h6-11,13,16,22,24H,4-5,12,14-15H2,1-3H3,(H,29,34)(H,30,35)(H,32,33)(H2,31,36,37)/p-2/t16-,22?,24-/m0/s1
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 1.30E+4n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of human skin fibroblast Collagenase at pH 7.5

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50367933
PNG
(CHEMBL1744402)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCC(=O)NCc2ccccc2)cc1)C(=O)NCC([O-])=O |r|
Show InChI InChI=1S/C28H39N4O9P/c1-4-19(3)26(32-42(38,39)41-5-2)28(37)31-23(27(36)30-17-25(34)35)15-20-11-13-22(14-12-20)40-18-24(33)29-16-21-9-7-6-8-10-21/h6-14,19,23,26H,4-5,15-18H2,1-3H3,(H,29,33)(H,30,36)(H,31,37)(H,34,35)(H2,32,38,39)/p-2/t19-,23?,26-/m0/s1
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 1.60E+4n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50013135
PNG
(N-(Ethylphosphoryl)-L-isoleucyl-L-Tyr(OBzl)-NHCH3)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC
Show InChI InChI=1S/C25H36N3O6P/c1-5-18(3)23(28-35(31,32)34-6-2)25(30)27-22(24(29)26-4)16-19-12-14-21(15-13-19)33-17-20-10-8-7-9-11-20/h7-15,18,22-23H,5-6,16-17H2,1-4H3,(H,26,29)(H,27,30)(H2,28,31,32)/p-1/t18-,22?,23-/m0/s1
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 1.80E+4n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50013144
PNG
(CHEMBL2372584)
Show SMILES CCOP(O)(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C19H31N4O7P/c1-4-12(3)17(23-31(28,29)30-5-2)19(27)22-15(18(26)21-11-16(24)25)10-13-6-8-14(20)9-7-13/h6-9,12,15,17H,4-5,10-11,20H2,1-3H3,(H,21,26)(H,22,27)(H,24,25)(H2,23,28,29)/t12-,15-,17-/m0/s1
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 1.90E+4n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50367928
PNG
(CHEMBL2369486)
Show SMILES [K+].[K+].CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC([O-])=O |r|
Show InChI InChI=1S/C19H30N3O8P.2K/c1-4-12(3)17(22-31(28,29)30-5-2)19(27)21-15(18(26)20-11-16(24)25)10-13-6-8-14(23)9-7-13;;/h6-9,12,15,17,23H,4-5,10-11H2,1-3H3,(H,20,26)(H,21,27)(H,24,25)(H2,22,28,29);;/q;2*+1/p-2/t12-,15-,17-;;/m0../s1
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 2.20E+4n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50367931
PNG
(CHEMBL1744404)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OC2CCCCO2)cc1)C(=O)NCC([O-])=O |r|
Show InChI InChI=1S/C24H38N3O9P/c1-4-16(3)22(27-37(32,33)35-5-2)24(31)26-19(23(30)25-15-20(28)29)14-17-9-11-18(12-10-17)36-21-8-6-7-13-34-21/h9-12,16,19,21-22H,4-8,13-15H2,1-3H3,(H,25,30)(H,26,31)(H,28,29)(H2,27,32,33)/p-2/t16-,19?,21?,22-/m0/s1
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 2.50E+4n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50367934
PNG
(CHEMBL1744413)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1)C(=O)NCC([O-])=O |r|
Show InChI InChI=1S/C35H45N4O9P/c1-4-25(3)33(38-49(45,46)48-5-2)35(44)37-30(34(43)36-21-32(41)42)20-26-16-18-29(19-17-26)47-24-31(40)39(22-27-12-8-6-9-13-27)23-28-14-10-7-11-15-28/h6-19,25,30,33H,4-5,20-24H2,1-3H3,(H,36,43)(H,37,44)(H,41,42)(H2,38,45,46)/p-2/t25-,30?,33-/m0/s1
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 2.70E+4n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50367924
PNG
(CHEMBL2369492)
Show SMILES [K+].[K+].CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC([O-])=O |r|
Show InChI InChI=1S/C19H30N3O7P.2K/c1-4-13(3)17(22-30(27,28)29-5-2)19(26)21-15(18(25)20-12-16(23)24)11-14-9-7-6-8-10-14;;/h6-10,13,15,17H,4-5,11-12H2,1-3H3,(H,20,25)(H,21,26)(H,23,24)(H2,22,27,28);;/q;2*+1/p-2/t13-,15-,17-;;/m0../s1
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 2.90E+4n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50013136
PNG
(N-(Ethylphosphoryl)-L-isoleucyl-L-Tyr(OMe)-NHCH3)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OC)cc1)C(=O)NC
Show InChI InChI=1S/C19H32N3O6P/c1-6-13(3)17(22-29(25,26)28-7-2)19(24)21-16(18(23)20-4)12-14-8-10-15(27-5)11-9-14/h8-11,13,16-17H,6-7,12H2,1-5H3,(H,20,23)(H,21,24)(H2,22,25,26)/p-1/t13-,16?,17-/m0/s1
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 3.10E+4n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50367923
PNG
(CHEMBL1744406)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCC(O)=O)cc1)C(=O)NCC([O-])=O |r|
Show InChI InChI=1S/C21H32N3O10P/c1-4-13(3)19(24-35(31,32)34-5-2)21(30)23-16(20(29)22-11-17(25)26)10-14-6-8-15(9-7-14)33-12-18(27)28/h6-9,13,16,19H,4-5,10-12H2,1-3H3,(H,22,29)(H,23,30)(H,25,26)(H,27,28)(H2,24,31,32)/p-2/t13-,16?,19-/m0/s1
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 3.20E+4n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50367927
PNG
(CHEMBL2369490)
Show SMILES [K+].[K+].CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC([O-])=O |r|
Show InChI InChI=1S/C16H32N3O7P.2K/c1-6-11(5)14(19-27(24,25)26-7-2)16(23)18-12(8-10(3)4)15(22)17-9-13(20)21;;/h10-12,14H,6-9H2,1-5H3,(H,17,22)(H,18,23)(H,20,21)(H2,19,24,25);;/q;2*+1/p-2/t11-,12-,14-;;/m0../s1
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 4.90E+4n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50367922
PNG
(CHEMBL1744412)
Show SMILES CCOP(O)(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCC(=O)NC(CCCCN)C([O-])=O)cc1)C(=O)NCC([O-])=O |r|
Show InChI InChI=1S/C27H44N5O11P/c1-4-17(3)24(32-44(40,41)43-5-2)26(37)31-21(25(36)29-15-23(34)35)14-18-9-11-19(12-10-18)42-16-22(33)30-20(27(38)39)8-6-7-13-28/h9-12,17,20-21,24H,4-8,13-16,28H2,1-3H3,(H,29,36)(H,30,33)(H,31,37)(H,34,35)(H,38,39)(H2,32,40,41)/p-2/t17-,20?,21?,24-/m0/s1
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 5.00E+4n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50367936
PNG
(CHEMBL1744415)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(Cc1ccccc1)C([O-])=O |r|
Show InChI InChI=1S/C33H42N3O8P/c1-4-23(3)30(36-45(41,42)44-5-2)32(38)34-28(31(37)35-29(33(39)40)21-24-12-8-6-9-13-24)20-25-16-18-27(19-17-25)43-22-26-14-10-7-11-15-26/h6-19,23,28-30H,4-5,20-22H2,1-3H3,(H,34,38)(H,35,37)(H,39,40)(H2,36,41,42)/p-2/t23-,28?,29?,30-/m0/s1
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 1.20E+5n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50367930
PNG
(CHEMBL2369488)
Show SMILES [K+].[K+].CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)NCC([O-])=O |r|
Show InChI InChI=1S/C13H26N3O7P.2K/c1-5-8(3)11(16-24(21,22)23-6-2)13(20)15-9(4)12(19)14-7-10(17)18;;/h8-9,11H,5-7H2,1-4H3,(H,14,19)(H,15,20)(H,17,18)(H2,16,21,22);;/q;2*+1/p-2/t8-,9-,11-;;/m0../s1
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 1.30E+5n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50367935
PNG
(CHEMBL2369489)
Show SMILES [K+].[K+].CCOP([O-])(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC([O-])=O |r|
Show InChI InChI=1S/C13H26N3O7P.2K/c1-5-23-24(21,22)16-10(6-8(2)3)13(20)15-9(4)12(19)14-7-11(17)18;;/h8-10H,5-7H2,1-4H3,(H,14,19)(H,15,20)(H,17,18)(H2,16,21,22);;/q;2*+1/p-2/t9-,10-;;/m0../s1
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 1.40E+5n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50367930
PNG
(CHEMBL2369488)
Show SMILES [K+].[K+].CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)NCC([O-])=O |r|
Show InChI InChI=1S/C13H26N3O7P.2K/c1-5-8(3)11(16-24(21,22)23-6-2)13(20)15-9(4)12(19)14-7-10(17)18;;/h8-9,11H,5-7H2,1-4H3,(H,14,19)(H,15,20)(H,17,18)(H2,16,21,22);;/q;2*+1/p-2/t8-,9-,11-;;/m0../s1
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 1.47E+5n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of human skin fibroblast Collagenase at pH 7.5

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50367925
PNG
(CHEMBL2369491)
Show SMILES [K+].[K+].CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C([O-])=O |r|
Show InChI InChI=1S/C19H37N4O8P.2K/c1-7-12(5)16(23-32(29,30)31-8-2)18(26)21-13(6)17(25)20-10-15(24)22-14(19(27)28)9-11(3)4;;/h11-14,16H,7-10H2,1-6H3,(H,20,25)(H,21,26)(H,22,24)(H,27,28)(H2,23,29,30);;/q;2*+1/p-2/t12-,13-,14-,16-;;/m0../s1
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 2.40E+5n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50013121
PNG
(CHEMBL2372451)
Show SMILES CCOP(O)(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C26H47N10O14P/c1-5-14(3)21(35-51(48,49)50-6-2)25(45)31-15(4)22(42)29-12-18(37)32-17(9-10-19(38)39)24(44)33-16(23(43)30-13-20(40)41)8-7-11-28-26(27)34-36(46)47/h14-17,21H,5-13H2,1-4H3,(H,29,42)(H,30,43)(H,31,45)(H,32,37)(H,33,44)(H,38,39)(H,40,41)(H3,27,28,34)(H2,35,48,49)/t14-,15-,16-,17-,21-/m0/s1
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 2.70E+5n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50013131
PNG
(N-(Ethylphosphoryl)-L-isoleucyl-L-alanyl glycine-G...)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O
Show InChI InChI=1S/C26H48N9O12P/c1-5-14(3)21(35-48(45,46)47-6-2)25(44)32-15(4)22(41)30-12-18(36)33-17(9-10-19(37)38)24(43)34-16(8-7-11-29-26(27)28)23(42)31-13-20(39)40/h14-17,21H,5-13H2,1-4H3,(H,30,41)(H,31,42)(H,32,44)(H,33,36)(H,34,43)(H,37,38)(H,39,40)(H4,27,28,29)(H2,35,45,46)/p-1/t14-,15-,16-,17-,21-/m0/s1
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 4.03E+5n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50013141
PNG
(N-(Ethylphosphoryl)-L-isoleucyl-L-alanyl glycine-G...)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O
Show InChI InChI=1S/C26H49N10O11P/c1-5-14(3)21(36-48(45,46)47-6-2)25(44)33-15(4)22(41)31-12-19(38)34-17(9-10-18(27)37)24(43)35-16(8-7-11-30-26(28)29)23(42)32-13-20(39)40/h14-17,21H,5-13H2,1-4H3,(H2,27,37)(H,31,41)(H,32,42)(H,33,44)(H,34,38)(H,35,43)(H,39,40)(H4,28,29,30)(H2,36,45,46)/p-1/t14-,15-,16-,17-,21-/m0/s1
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 4.60E+5n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50013128
PNG
(Mono(ethyl esters) of phosphoramide peptides | {[(...)
Show SMILES CCOP([O-])(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C8H18NO5P/c1-4-14-15(12,13)9-7(8(10)11)5-6(2)3/h6-7H,4-5H2,1-3H3,(H,10,11)(H2,9,12,13)/p-1/t7-/m0/s1
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 9.50E+5n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50013134
PNG
(Mono(ethyl esters) of phosphoramide peptides | {[(...)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(O)=O
Show InChI InChI=1S/C8H18NO5P/c1-4-6(3)7(8(10)11)9-15(12,13)14-5-2/h6-7H,4-5H2,1-3H3,(H,10,11)(H2,9,12,13)/p-1/t6-,7-/m0/s1
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 9.90E+5n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))		BDBM50013123
PNG
(N-(Ethylphosphoryl)-L-isoleucyl-L-alanyl glycine-G...)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C24H45N10O12P/c1-5-13(3)19(33-47(44,45)46-6-2)22(39)29-14(4)20(37)28-12-18(36)30-15(9-10-17(25)35)21(38)31-16(23(40)41)8-7-11-27-24(26)32-34(42)43/h13-16,19H,5-12H2,1-4H3,(H2,25,35)(H,28,37)(H,29,39)(H,30,36)(H,31,38)(H,40,41)(H3,26,27,32)(H2,33,44,45)/p-1/t13-,14-,15-,16-,19-/m0/s1
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 1.90E+6n/an/an/an/an/an/a7.5n/a



University of Kentucky

Curated by ChEMBL


Assay Description
Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
Collagenase ColA


(Clostridium perfringens)		BDBM50013124
PNG
(N-(Ethylphosphoryl)-L-isoleucyl-L-Trp-NHCH3)
Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC
Show InChI InChI=1S/C20H31N4O5P/c1-5-13(3)18(24-30(27,28)29-6-2)20(26)23-17(19(25)21-4)11-14-12-22-16-10-8-7-9-15(14)16/h7-10,12-13,17-18,22H,5-6,11H2,1-4H3,(H,21,25)(H,23,26)(H2,24,27,28)/p-1/t13-,17?,18-/m0/s1
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>5.00E+6n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of bacterial Collagenase

J Med Chem 33: 263-73 (1990)


BindingDB Entry DOI: 10.7270/Q2J9670V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%