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PubChem AID 618

Compile Data Set for Download or QSAR

Found 270 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
matrix metalloproteinase 1


(Homo sapiens)
BDBM48110
PNG
(MLS000035103 | N-[6-(2-methylpropanoylamino)pyridi...)
Show SMILES CC(C)C(=O)Nc1ccc(NC(=O)c2ccccn2)cn1
Show InChI InChI=1S/C15H16N4O2/c1-10(2)14(20)19-13-7-6-11(9-17-13)18-15(21)12-5-3-4-8-16-12/h3-10H,1-2H3,(H,18,21)(H,17,19,20)
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n/an/an/an/a 6.27E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM40577
PNG
(4-(4-Pyrrolidin-1-yl-quinazolin-2-ylamino)-phenol ...)
Show SMILES Oc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1
Show InChI InChI=1S/C18H18N4O/c23-14-9-7-13(8-10-14)19-18-20-16-6-2-1-5-15(16)17(21-18)22-11-3-4-12-22/h1-2,5-10,23H,3-4,11-12H2,(H,19,20,21)
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n/an/an/an/a 2.65E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48115
PNG
(3-(2-Chloro-benzyl)-7-hydroxy-3H-[1,2,3]triazolo[4...)
Show SMILES Clc1ccccc1Cn1nnc2c1nc([nH]c2=O)C(=O)NCc1cccs1
Show InChI InChI=1S/C17H13ClN6O2S/c18-12-6-2-1-4-10(12)9-24-15-13(22-23-24)16(25)21-14(20-15)17(26)19-8-11-5-3-7-27-11/h1-7H,8-9H2,(H,19,26)(H,20,21,25)
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n/an/an/an/a 5.00E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48117
PNG
(3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo...)
Show SMILES Cc1csc2nc(CSc3ccc(C)cc3)cn12
Show InChI InChI=1S/C14H14N2S2/c1-10-3-5-13(6-4-10)17-9-12-7-16-11(2)8-18-14(16)15-12/h3-8H,9H2,1-2H3
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n/an/an/an/a 5.82E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48120
PNG
(1-(4-methoxyphenyl)-N-prop-2-enyl-4-pyrazolo[3,4-d...)
Show SMILES COc1ccc(cc1)-n1ncc2c(NCC=C)ncnc12
Show InChI InChI=1S/C15H15N5O/c1-3-8-16-14-13-9-19-20(15(13)18-10-17-14)11-4-6-12(21-2)7-5-11/h3-7,9-10H,1,8H2,2H3,(H,16,17,18)
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n/an/an/an/a 8.50E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48123
PNG
(2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-amine | ML...)
Show SMILES Cc1ccc(-c2nc3cc(N)ccc3o2)c(C)c1
Show InChI InChI=1S/C15H14N2O/c1-9-3-5-12(10(2)7-9)15-17-13-8-11(16)4-6-14(13)18-15/h3-8H,16H2,1-2H3
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n/an/an/an/a 2.68E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM39080
PNG
(4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butano...)
Show SMILES COc1ccc(cc1)-c1noc(CCCC(O)=O)n1
Show InChI InChI=1S/C13H14N2O4/c1-18-10-7-5-9(6-8-10)13-14-11(19-15-13)3-2-4-12(16)17/h5-8H,2-4H2,1H3,(H,16,17)
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n/an/an/an/a 770n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48126
PNG
((6-chloranylimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3...)
Show SMILES Clc1nc2sccn2c1C(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C16H14Cl2N4OS/c17-11-2-1-3-12(10-11)20-4-6-21(7-5-20)15(23)13-14(18)19-16-22(13)8-9-24-16/h1-3,8-10H,4-7H2
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n/an/an/an/a 4.86E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

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Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48128
PNG
(MLS000057148 | N-[4-[2-[1-(2-methoxyethyl)-2,5-dim...)
Show SMILES COCCn1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C
Show InChI InChI=1S/C19H24N2O3S/c1-13-11-18(14(2)21(13)9-10-24-4)19(23)12-25-17-7-5-16(6-8-17)20-15(3)22/h5-8,11H,9-10,12H2,1-4H3,(H,20,22)
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n/an/an/an/a 8.54E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48134
PNG
(6-bromanyl-2-[(1-methylimidazol-2-yl)sulfanylmethy...)
Show SMILES Cn1ccnc1SCc1cn2cc(Br)ccc2n1
Show InChI InChI=1S/C12H11BrN4S/c1-16-5-4-14-12(16)18-8-10-7-17-6-9(13)2-3-11(17)15-10/h2-7H,8H2,1H3
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n/an/an/an/a 1.50E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

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Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM37077
PNG
(4-[[7-(diethylamino)-2-keto-chromen-3-yl]amino]-4-...)
Show SMILES CCN(CC)c1ccc2cc(NC(=O)CCC(O)=O)c(=O)oc2c1
Show InChI InChI=1S/C17H20N2O5/c1-3-19(4-2)12-6-5-11-9-13(17(23)24-14(11)10-12)18-15(20)7-8-16(21)22/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,20)(H,21,22)
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n/an/an/an/a 670n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48142
PNG
(5-propyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxami...)
Show SMILES CCCc1cc(cs1)C(=O)Nc1nccs1
Show InChI InChI=1S/C11H12N2OS2/c1-2-3-9-6-8(7-16-9)10(14)13-11-12-4-5-15-11/h4-7H,2-3H2,1H3,(H,12,13,14)
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n/an/an/an/a 1.27E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM37133
PNG
(MLS000061826 | N-[4-(5-methyl-1,3-benzoxazol-2-yl)...)
Show SMILES CCCC(=O)Nc1ccc(cc1)-c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C18H18N2O2/c1-3-4-17(21)19-14-8-6-13(7-9-14)18-20-15-11-12(2)5-10-16(15)22-18/h5-11H,3-4H2,1-2H3,(H,19,21)
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n/an/an/an/a 1.20E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48154
PNG
(3-[2-(3-fluorophenyl)-5,7-dimethyl-6-pyrazolo[1,5-...)
Show SMILES CC(CCc1ccco1)NC(=O)CCc1c(C)nc2cc(nn2c1C)-c1cccc(F)c1
Show InChI InChI=1S/C25H27FN4O2/c1-16(9-10-21-8-5-13-32-21)27-25(31)12-11-22-17(2)28-24-15-23(29-30(24)18(22)3)19-6-4-7-20(26)14-19/h4-8,13-16H,9-12H2,1-3H3,(H,27,31)
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n/an/an/an/a 1.12E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48157
PNG
(1-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-(...)
Show SMILES COCCn1c(C)cc(C(=O)CSc2nnc3ccccn23)c1C
Show InChI InChI=1S/C17H20N4O2S/c1-12-10-14(13(2)20(12)8-9-23-3)15(22)11-24-17-19-18-16-6-4-5-7-21(16)17/h4-7,10H,8-9,11H2,1-3H3
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n/an/an/an/a 3.63E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

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Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM47005
PNG
(MLS000114722 | N-(2-fluorophenyl)-2-[(5-phenyl-1,3...)
Show SMILES Fc1ccccc1NC(=O)CSc1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C16H12FN3O2S/c17-12-8-4-5-9-13(12)18-14(21)10-23-16-20-19-15(22-16)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)
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n/an/an/an/a 820n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

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Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48164
PNG
(2-(4-aminophenyl)-1,3-benzoxazol-6-amine | MLS0001...)
Show SMILES Nc1ccc(cc1)-c1nc2ccc(N)cc2o1
Show InChI InChI=1S/C13H11N3O/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,14-15H2
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n/an/an/an/a 1.40E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

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Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48165
PNG
(1-(4-chlorophenyl)-N-propan-2-yl-4-pyrazolo[3,4-d]...)
Show SMILES CC(C)Nc1ncnc2n(ncc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H14ClN5/c1-9(2)19-13-12-7-18-20(14(12)17-8-16-13)11-5-3-10(15)4-6-11/h3-9H,1-2H3,(H,16,17,19)
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n/an/an/an/a 3.85E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

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Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM39058
PNG
(1-(4-fluorophenyl)-3-(2-hydroxy-5-methoxy-phenyl)p...)
Show SMILES COc1ccc(O)c(c1)C(=O)CC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H13FO4/c1-21-12-6-7-14(18)13(8-12)16(20)9-15(19)10-2-4-11(17)5-3-10/h2-8,18H,9H2,1H3
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n/an/an/an/a 570n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48170
PNG
((4Z)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[(pentyl...)
Show SMILES CCCCCN=Cc1c(C)[nH]n(-c2nc3ccccc3s2)c1=O
Show InChI InChI=1S/C17H20N4OS/c1-3-4-7-10-18-11-13-12(2)20-21(16(13)22)17-19-14-8-5-6-9-15(14)23-17/h5-6,8-9,11,20H,3-4,7,10H2,1-2H3
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n/an/an/an/a 6.14E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48177
PNG
(MLS000106138 | SMR000103108 | cid_3103803)
Show SMILES CN1CCN(CC(=O)N2CCn3c4C2CCCc4c2cc(ccc32)C2CCCCC2)CC1
Show InChI InChI=1S/C27H38N4O/c1-28-12-14-29(15-13-28)19-26(32)30-16-17-31-24-11-10-21(20-6-3-2-4-7-20)18-23(24)22-8-5-9-25(30)27(22)31/h10-11,18,20,25H,2-9,12-17,19H2,1H3
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n/an/an/an/a 1.20E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

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Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM34556
PNG
(2-(2-pyridinylmethylidene)-1-thiazolo[3,2-a]benzim...)
Show SMILES O=c1n2c(nc3ccccc23)sc1=Cc1ccccn1
Show InChI InChI=1S/C15H9N3OS/c19-14-13(9-10-5-3-4-8-16-10)20-15-17-11-6-1-2-7-12(11)18(14)15/h1-9H
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n/an/an/an/a 1.00E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48197
PNG
(2-[4-(4-hexoxybenzyl)piperazino]ethanol | 2-[4-[(4...)
Show SMILES CCCCCCOc1ccc(CN2CCN(CCO)CC2)cc1
Show InChI InChI=1S/C19H32N2O2/c1-2-3-4-5-16-23-19-8-6-18(7-9-19)17-21-12-10-20(11-13-21)14-15-22/h6-9,22H,2-5,10-17H2,1H3
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n/an/an/an/a 1.21E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48204
PNG
(2-(1H-Benzoimidazol-5-yl)-benzooxazol-5-ylamine | ...)
Show SMILES Nc1ccc2oc(nc2c1)-c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C14H10N4O/c15-9-2-4-13-12(6-9)18-14(19-13)8-1-3-10-11(5-8)17-7-16-10/h1-7H,15H2,(H,16,17)
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n/an/an/an/a 4.29E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48205
PNG
(1-(2,4-Dimethyl-phenyl)-2-(1-isopropyl-1H-tetrazol...)
Show SMILES CC(C)n1nnnc1SCC(=O)c1ccc(C)cc1C
Show InChI InChI=1S/C14H18N4OS/c1-9(2)18-14(15-16-17-18)20-8-13(19)12-6-5-10(3)7-11(12)4/h5-7,9H,8H2,1-4H3
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n/an/an/an/a 1.70E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48218
PNG
(Benzofuran-2-carboxylic acid pyridin-2-ylamide | M...)
Show SMILES O=C(Nc1ccccn1)c1cc2ccccc2o1
Show InChI InChI=1S/C14H10N2O2/c17-14(16-13-7-3-4-8-15-13)12-9-10-5-1-2-6-11(10)18-12/h1-9H,(H,15,16,17)
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n/an/an/an/a 5.00E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48224
PNG
(2-(1-Methyl-5-phenyl-1H-imidazol-2-ylsulfanyl)-1-p...)
Show SMILES Cn1c(SCC(=O)N2CCCCC2)ncc1-c1ccccc1
Show InChI InChI=1S/C17H21N3OS/c1-19-15(14-8-4-2-5-9-14)12-18-17(19)22-13-16(21)20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3
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n/an/an/an/a 2.88E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48229
PNG
(2-phenyl-6,7-dihydropyrrolo[1,2-a]thieno[3,2-d]pyr...)
Show SMILES O=c1n2CCCc2nc2cc(sc12)-c1ccccc1
Show InChI InChI=1S/C15H12N2OS/c18-15-14-11(16-13-7-4-8-17(13)15)9-12(19-14)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2
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n/an/an/an/a 4.05E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48244
PNG
(MLS000535585 | N-(3-cyano-4,5,6,7-tetrahydro-1-ben...)
Show SMILES O=C(CSc1nnc[nH]1)Nc1sc2CCCCc2c1C#N
Show InChI InChI=1S/C13H13N5OS2/c14-5-9-8-3-1-2-4-10(8)21-12(9)17-11(19)6-20-13-15-7-16-18-13/h7H,1-4,6H2,(H,17,19)(H,15,16,18)
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n/an/an/an/a 730n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48249
PNG
(MLS000541615 | N-[1,4-bis(oxidanylidene)-3-(2-phen...)
Show SMILES CC(=O)N(Cc1ccc(F)cc1)c1c(O)c2ccccc2c(O)c1N=CCc1ccccc1
Show InChI InChI=1S/C27H23FN2O3/c1-18(31)30(17-20-11-13-21(28)14-12-20)25-24(29-16-15-19-7-3-2-4-8-19)26(32)22-9-5-6-10-23(22)27(25)33/h2-14,16,32-33H,15,17H2,1H3
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n/an/an/an/a 1.22E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48264
PNG
(4-methoxy-N-[2-[2-(4-methylpiperidin-1-yl)-2-oxida...)
Show SMILES COc1ccc(cc1)C(=O)Nn1c(SCC(=O)N2CCC(C)CC2)nc2ccccc2c1=O
Show InChI InChI=1S/C24H26N4O4S/c1-16-11-13-27(14-12-16)21(29)15-33-24-25-20-6-4-3-5-19(20)23(31)28(24)26-22(30)17-7-9-18(32-2)10-8-17/h3-10,16H,11-15H2,1-2H3,(H,26,30)
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n/an/an/an/a 1.98E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48266
PNG
(MLS000521701 | N-(3-hydroxyphenyl)-5,6,7,8-tetrahy...)
Show SMILES Oc1cccc(NC(=O)c2noc3CCCCCc23)c1
Show InChI InChI=1S/C15H16N2O3/c18-11-6-4-5-10(9-11)16-15(19)14-12-7-2-1-3-8-13(12)20-17-14/h4-6,9,18H,1-3,7-8H2,(H,16,19)
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n/an/an/an/a 230n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48271
PNG
(2-methyl-N'-[(5-nitro-2-thienyl)methylene]benz...)
Show SMILES Cc1ccccc1C(=O)N\N=C\c1ccc(s1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N3O3S/c1-9-4-2-3-5-11(9)13(17)15-14-8-10-6-7-12(20-10)16(18)19/h2-8H,1H3,(H,15,17)/b14-8+
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n/an/an/an/a 2.55E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48272
PNG
(7-(3-Methoxy-benzyl)-1,3-dimethyl-8-[(pyridin-3-yl...)
Show SMILES COc1cccc(Cn2c(NCc3cccnc3)nc3n(C)c(=O)n(C)c(=O)c23)c1
Show InChI InChI=1S/C21H22N6O3/c1-25-18-17(19(28)26(2)21(25)29)27(13-14-6-4-8-16(10-14)30-3)20(24-18)23-12-15-7-5-9-22-11-15/h4-11H,12-13H2,1-3H3,(H,23,24)
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n/an/an/an/a 250n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM43688
PNG
((E)-2-(1H-Benzoimidazol-2-yl)-3-(5-morpholin-4-yl-...)
Show SMILES N#C\C(=C/c1ccc(o1)N1CCOCC1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H16N4O2/c19-12-13(18-20-15-3-1-2-4-16(15)21-18)11-14-5-6-17(24-14)22-7-9-23-10-8-22/h1-6,11H,7-10H2,(H,20,21)/b13-11+
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n/an/an/an/a 4.32E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48275
PNG
(Acetic acid N-(2,4-dimethyl-phenyl)-N'-[3-oxo-...)
Show SMILES CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccc(C)cc1C
Show InChI InChI=1S/C18H16N2O2S/c1-11-8-9-15(12(2)10-11)20(13(3)21)19-18-17(22)14-6-4-5-7-16(14)23-18/h4-10H,1-3H3
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n/an/an/an/a 1.97E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48281
PNG
((2-fluorophenyl)-[5-[1-(2-methoxyethyl)-2,5-dimeth...)
Show SMILES COCCn1c(C)cc(c1C)C1=NN=C(Nc2ccccc2F)SC1
Show InChI InChI=1S/C18H21FN4OS/c1-12-10-14(13(2)23(12)8-9-24-3)17-11-25-18(22-21-17)20-16-7-5-4-6-15(16)19/h4-7,10H,8-9,11H2,1-3H3,(H,20,22)
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n/an/an/an/a 3.04E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48289
PNG
(2-(1H-benzimidazol-2-yl)-4-chloranyl-5-piperidin-1...)
Show SMILES Clc1c(cnn(-c2nc3ccccc3[nH]2)c1=O)N1CCCCC1
Show InChI InChI=1S/C16H16ClN5O/c17-14-13(21-8-4-1-5-9-21)10-18-22(15(14)23)16-19-11-6-2-3-7-12(11)20-16/h2-3,6-7,10H,1,4-5,8-9H2,(H,19,20)
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n/an/an/an/a 590n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM42046
PNG
(2-(1H-benzimidazol-2-ylsulfanyl)-1-[2,5-dimethyl-1...)
Show SMILES Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1CC1CCCO1
Show InChI InChI=1S/C20H23N3O2S/c1-13-10-16(14(2)23(13)11-15-6-5-9-25-15)19(24)12-26-20-21-17-7-3-4-8-18(17)22-20/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3,(H,21,22)
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n/an/an/an/a 3.86E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48293
PNG
(MLS000566821 | N-(1,3-thiazol-2-yl)-5,6,7,8-tetrah...)
Show SMILES O=C(Nc1nccs1)c1cc2CCCCCc2s1
Show InChI InChI=1S/C13H14N2OS2/c16-12(15-13-14-6-7-17-13)11-8-9-4-2-1-3-5-10(9)18-11/h6-8H,1-5H2,(H,14,15,16)
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n/an/an/an/a 550n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM31999
PNG
(3-[5-(4-Ethyl-phenyl)-tetrazol-2-yl]-propionic aci...)
Show SMILES CCc1ccc(cc1)-c1nnn(CCC(=O)OC)n1
Show InChI InChI=1S/C13H16N4O2/c1-3-10-4-6-11(7-5-10)13-14-16-17(15-13)9-8-12(18)19-2/h4-7H,3,8-9H2,1-2H3
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n/an/an/an/a 2.02E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48113
PNG
(2-[[2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimi...)
Show SMILES CCOC(=O)CNC(=O)CSc1ncnc2n(ncc12)-c1ccc(C)cc1
Show InChI InChI=1S/C18H19N5O3S/c1-3-26-16(25)9-19-15(24)10-27-18-14-8-22-23(17(14)20-11-21-18)13-6-4-12(2)5-7-13/h4-8,11H,3,9-10H2,1-2H3,(H,19,24)
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n/an/an/an/a 2.80E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM50054601
PNG
(5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazole...)
Show SMILES Cc1oncc1C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)
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n/an/an/an/a 5.65E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM38928
PNG
(3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]...)
Show SMILES Clc1ccc(cc1)C(=O)N1CCCCC(Sc2nnc(o2)-c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C22H18ClN3O5S/c23-15-7-4-13(5-8-15)20(27)26-10-2-1-3-18(21(26)28)32-22-25-24-19(31-22)14-6-9-16-17(11-14)30-12-29-16/h4-9,11,18H,1-3,10,12H2
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n/an/an/an/a 140n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48131
PNG
(1H-indazole-3-carboxylic acid [2-keto-2-(1,2,5-tri...)
Show SMILES Cc1cc(C(=O)COC(=O)c2n[nH]c3ccccc23)c(C)n1C
Show InChI InChI=1S/C17H17N3O3/c1-10-8-13(11(2)20(10)3)15(21)9-23-17(22)16-12-6-4-5-7-14(12)18-19-16/h4-8H,9H2,1-3H3,(H,18,19)
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n/an/an/an/a 7.21E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48135
PNG
(5-[(4-ethoxyphenoxy)methyl]-2-furancarboxylic acid...)
Show SMILES CCOc1ccc(OCc2ccc(o2)C(O)=O)cc1
Show InChI InChI=1S/C14H14O5/c1-2-17-10-3-5-11(6-4-10)18-9-12-7-8-13(19-12)14(15)16/h3-8H,2,9H2,1H3,(H,15,16)
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n/an/an/an/a 5.80E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM38961
PNG
(2-(4-methyl-1-piperidinyl)-1,3-benzothiazole-6-car...)
Show SMILES CC1CCN(CC1)c1nc2ccc(cc2s1)C(O)=O
Show InChI InChI=1S/C14H16N2O2S/c1-9-4-6-16(7-5-9)14-15-11-3-2-10(13(17)18)8-12(11)19-14/h2-3,8-9H,4-7H2,1H3,(H,17,18)
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n/an/an/an/a 350n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM38983
PNG
(MLS000045930 | N-(2,5-dimethoxyphenyl)-4-(5-p-phen...)
Show SMILES CCOc1ccc(cc1)-c1cc(CCCC(=O)Nc2cc(OC)ccc2OC)no1
Show InChI InChI=1S/C23H26N2O5/c1-4-29-18-10-8-16(9-11-18)22-14-17(25-30-22)6-5-7-23(26)24-20-15-19(27-2)12-13-21(20)28-3/h8-15H,4-7H2,1-3H3,(H,24,26)
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n/an/an/an/a 3.50E+3n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM38998
PNG
(MLS000064750 | N-(3-cyano-5,6,7,8-tetrahydro-4H-cy...)
Show SMILES O=C(CSc1nnc[nH]1)Nc1sc2CCCCCc2c1C#N
Show InChI InChI=1S/C14H15N5OS2/c15-6-10-9-4-2-1-3-5-11(9)22-13(10)18-12(20)7-21-14-16-8-17-19-14/h8H,1-5,7H2,(H,18,20)(H,16,17,19)
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n/an/an/an/a 98n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens)
BDBM48138
PNG
(1-{3-[(2,4-dichlorophenoxy)methyl]benzoyl}-4-(2-py...)
Show SMILES Clc1ccc(OCc2cccc(c2)C(=O)N2CCN(CC2)c2ccccn2)c(Cl)c1
Show InChI InChI=1S/C23H21Cl2N3O2/c24-19-7-8-21(20(25)15-19)30-16-17-4-3-5-18(14-17)23(29)28-12-10-27(11-13-28)22-6-1-2-9-26-22/h1-9,14-15H,10-13,16H2
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n/an/an/an/a 1.26E+4n/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%