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Patent code US9505743

Compile Data Set for Download or QSAR
Found 3 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))
BDBM256500
PNG
(BDBM256501 | US9505743, 44)
Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F
Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,30,31)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



TBA

US Patent


Assay Description
MMP-13 inhibitor activity of the MMP inhibitors of the present invention was measured using the method of Knight (Knight, C. G. et. al, FEBS LETT. 29...


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM256500
PNG
(BDBM256501 | US9505743, 44)
Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)ccc1F
Show InChI InChI=1S/C22H19FN4O4/c1-13-8-15(4-7-17(13)23)11-25-21(29)19-9-18(26-12-27-19)20(28)24-10-14-2-5-16(6-3-14)22(30)31/h2-9,12H,10-11H2,1H3,(H,24,28)(H,25,29)(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



TBA

US Patent


Assay Description
MMP-13 inhibitor activity of the MMP inhibitors of the present invention was measured using the method of Knight (Knight, C. G. et. al, FEBS LETT. 29...


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM256502
PNG
(US9505743, 70)
Show SMILES COc1cccc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C22H20N4O5/c1-31-17-4-2-3-15(9-17)12-24-21(28)19-10-18(25-13-26-19)20(27)23-11-14-5-7-16(8-6-14)22(29)30/h2-10,13H,11-12H2,1H3,(H,23,27)(H,24,28)(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



TBA

US Patent


Assay Description
MMP-13 inhibitor activity of the MMP inhibitors of the present invention was measured using the method of Knight (Knight, C. G. et. al, FEBS LETT. 29...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%