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PubChem AID 769

Compile data set for download or QSAR
Found 8 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
Collagenase


(Homo sapiens (human))
BDBM40756
PNG
(5-(3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-yl)...)
Show SMILES Cc1nn(-c2ccccc2)c2sc(cc12)-c1n[nH]c(=S)o1
Show InChI InChI=1S/C14H10N4OS2/c1-8-10-7-11(12-15-16-14(20)19-12)21-13(10)18(17-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,16,20)
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n/an/a 883n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: MMP13_INH_deltaRFU_ 1536_IC50 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affilia...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2HX1B3F
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM29642
PNG
(4-[(5-thiophen-2-yl-2-thiophenyl)methylideneamino]...)
Show SMILES Oc1ccc(cc1)\N=C\c1ccc(s1)-c1cccs1
Show InChI InChI=1S/C15H11NOS2/c17-12-5-3-11(4-6-12)16-10-13-7-8-15(19-13)14-2-1-9-18-14/h1-10,17H/b16-10+
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n/an/a 1.69E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: MMP13_INH_deltaRFU_ 1536_IC50 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affilia...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2HX1B3F
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50247261
PNG
(5-(3,5-dimethoxyphenyl)-N-(4-fluorobenzo[d]thiazol...)
Show SMILES COc1cc(OC)cc(c1)-c1nnc(Nc2nc3c(F)cccc3s2)o1
Show InChI InChI=1S/C17H13FN4O3S/c1-23-10-6-9(7-11(8-10)24-2)15-21-22-16(25-15)20-17-19-14-12(18)4-3-5-13(14)26-17/h3-8H,1-2H3,(H,19,20,22)
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n/an/a 3.52E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: MMP13_INH_deltaRFU_ 1536_IC50 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affilia...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2HX1B3F
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50247262
PNG
(3-(2-methoxy-6-(4-methoxyphenyl)pyridin-3-yl)-5-o-...)
Show SMILES COc1ccc(cc1)-c1ccc(-c2noc(n2)-c2ccccc2C)c(OC)n1
Show InChI InChI=1S/C22H19N3O3/c1-14-6-4-5-7-17(14)22-24-20(25-28-22)18-12-13-19(23-21(18)27-3)15-8-10-16(26-2)11-9-15/h4-13H,1-3H3
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n/an/a 3.97E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: MMP13_INH_deltaRFU_ 1536_IC50 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affilia...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2HX1B3F
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM40757
PNG
((4-fluoro-1,3-benzothiazol-2-yl)-[5-(3-methoxyphen...)
Show SMILES COc1cccc(c1)-c1nnc(Nc2nc3c(F)cccc3s2)o1
Show InChI InChI=1S/C16H11FN4O2S/c1-22-10-5-2-4-9(8-10)14-20-21-15(23-14)19-16-18-13-11(17)6-3-7-12(13)24-16/h2-8H,1H3,(H,18,19,21)
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n/an/a>3.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: MMP13_INH_deltaRFU_ 1536_IC50 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affilia...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2HX1B3F
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM39445
PNG
(2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]t...)
Show SMILES CCOC(=O)CSc1nc(ccc1C#N)-c1ccc2OCOc2c1
Show InChI InChI=1S/C17H14N2O4S/c1-2-21-16(20)9-24-17-12(8-18)3-5-13(19-17)11-4-6-14-15(7-11)23-10-22-14/h3-7H,2,9-10H2,1H3
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n/an/a>3.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: MMP13_INH_deltaRFU_ 1536_IC50 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affilia...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2HX1B3F
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM30648
PNG
(MLS-0062362.0001 | N-(4-thiazolo[5,4-b]pyridin-2-y...)
Show SMILES O=S(=O)(Nc1ccc(cc1)-c1nc2cccnc2s1)c1cccs1
Show InChI InChI=1S/C16H11N3O2S3/c20-24(21,14-4-2-10-22-14)19-12-7-5-11(6-8-12)15-18-13-3-1-9-17-16(13)23-15/h1-10,19H
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n/an/a>3.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: MMP13_INH_deltaRFU_ 1536_IC50 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affilia...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2HX1B3F
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM40758
PNG
((4-fluoro-1,3-benzothiazol-2-yl)-(5-phenyl-1,3,4-o...)
Show SMILES Fc1cccc2sc(Nc3nnc(o3)-c3ccccc3)nc12
Show InChI InChI=1S/C15H9FN4OS/c16-10-7-4-8-11-12(10)17-15(22-11)18-14-20-19-13(21-14)9-5-2-1-3-6-9/h1-8H,(H,17,18,20)
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n/an/a>3.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: MMP13_INH_deltaRFU_ 1536_IC50 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affilia...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2HX1B3F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%