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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50127474   
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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50127474
PNG
(6-Amino-2-[7-(3,5-dimethoxy-benzyloxy)-1,1-dioxo-1...)
Show SMILES COc1cc(COc2ccc3c(NCCN([C@H](CCCCN)C(=O)NO)S3(=O)=O)c2)cc(OC)c1
Show InChI InChI=1S/C23H32N4O7S/c1-32-18-11-16(12-19(13-18)33-2)15-34-17-6-7-22-20(14-17)25-9-10-27(35(22,30)31)21(23(28)26-29)5-3-4-8-24/h6-7,11-14,21,25,29H,3-5,8-10,15,24H2,1-2H3,(H,26,28)/t21-/m1/s1
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Article
PubMed
31n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against porcine tumor necrosis factor alpha converting enzyme (pTACE)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50127474
PNG
(6-Amino-2-[7-(3,5-dimethoxy-benzyloxy)-1,1-dioxo-1...)
Show SMILES COc1cc(COc2ccc3c(NCCN([C@H](CCCCN)C(=O)NO)S3(=O)=O)c2)cc(OC)c1
Show InChI InChI=1S/C23H32N4O7S/c1-32-18-11-16(12-19(13-18)33-2)15-34-17-6-7-22-20(14-17)25-9-10-27(35(22,30)31)21(23(28)26-29)5-3-4-8-24/h6-7,11-14,21,25,29H,3-5,8-10,15,24H2,1-2H3,(H,26,28)/t21-/m1/s1
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Article
PubMed
231n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50127474
PNG
(6-Amino-2-[7-(3,5-dimethoxy-benzyloxy)-1,1-dioxo-1...)
Show SMILES COc1cc(COc2ccc3c(NCCN([C@H](CCCCN)C(=O)NO)S3(=O)=O)c2)cc(OC)c1
Show InChI InChI=1S/C23H32N4O7S/c1-32-18-11-16(12-19(13-18)33-2)15-34-17-6-7-22-20(14-17)25-9-10-27(35(22,30)31)21(23(28)26-29)5-3-4-8-24/h6-7,11-14,21,25,29H,3-5,8-10,15,24H2,1-2H3,(H,26,28)/t21-/m1/s1
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Article
PubMed
>2.13E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-9 (MMP-9)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50127474
PNG
(6-Amino-2-[7-(3,5-dimethoxy-benzyloxy)-1,1-dioxo-1...)
Show SMILES COc1cc(COc2ccc3c(NCCN([C@H](CCCCN)C(=O)NO)S3(=O)=O)c2)cc(OC)c1
Show InChI InChI=1S/C23H32N4O7S/c1-32-18-11-16(12-19(13-18)33-2)15-34-17-6-7-22-20(14-17)25-9-10-27(35(22,30)31)21(23(28)26-29)5-3-4-8-24/h6-7,11-14,21,25,29H,3-5,8-10,15,24H2,1-2H3,(H,26,28)/t21-/m1/s1
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Article
PubMed
>4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against broad spectrum matrix metalloprotease-1 (MMP-1)


J Med Chem 46: 1811-23 (2003)


Article DOI: 10.1021/jm020475w
BindingDB Entry DOI: 10.7270/Q2TQ60W7
More data for this
Ligand-Target Pair