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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50101512   
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))
BDBM50101512
PNG
(CHEMBL306033 | N*1*-{2-Cyclohexyl-1-[2-(2-morpholi...)
Show SMILES Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)NCCN2CCOCC2)cc1
Show InChI InChI=1S/C32H51N5O6/c1-24-10-12-25(13-11-24)8-5-9-27(23-30(39)36-42)31(40)35-28(22-26-6-3-2-4-7-26)32(41)34-15-14-29(38)33-16-17-37-18-20-43-21-19-37/h10-13,26-28,42H,2-9,14-23H2,1H3,(H,33,38)(H,34,41)(H,35,40)(H,36,39)/t27-,28+/m1/s1
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PubMed
0.0100n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibitory constant against matrix metalloproteinase-2


J Med Chem 44: 2333-43 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KFR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50101512
PNG
(CHEMBL306033 | N*1*-{2-Cyclohexyl-1-[2-(2-morpholi...)
Show SMILES Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)NCCN2CCOCC2)cc1
Show InChI InChI=1S/C32H51N5O6/c1-24-10-12-25(13-11-24)8-5-9-27(23-30(39)36-42)31(40)35-28(22-26-6-3-2-4-7-26)32(41)34-15-14-29(38)33-16-17-37-18-20-43-21-19-37/h10-13,26-28,42H,2-9,14-23H2,1H3,(H,33,38)(H,34,41)(H,35,40)(H,36,39)/t27-,28+/m1/s1
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PubMed
6.26n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibitory constant against matrix metalloproteinase-3


J Med Chem 44: 2333-43 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KFR
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50101512
PNG
(CHEMBL306033 | N*1*-{2-Cyclohexyl-1-[2-(2-morpholi...)
Show SMILES Cc1ccc(CCC[C@H](CC(=O)NO)C(=O)N[C@@H](CC2CCCCC2)C(=O)NCCC(=O)NCCN2CCOCC2)cc1
Show InChI InChI=1S/C32H51N5O6/c1-24-10-12-25(13-11-24)8-5-9-27(23-30(39)36-42)31(40)35-28(22-26-6-3-2-4-7-26)32(41)34-15-14-29(38)33-16-17-37-18-20-43-21-19-37/h10-13,26-28,42H,2-9,14-23H2,1H3,(H,33,38)(H,34,41)(H,35,40)(H,36,39)/t27-,28+/m1/s1
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PubMed
455n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibitory constant against matrix metalloproteinase-1


J Med Chem 44: 2333-43 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KFR
More data for this
Ligand-Target Pair