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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 3


(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)
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MMDB

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UniChem
US Patent
n/an/a<100n/an/an/an/a7.637



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...

US Patent US9505743 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NK1
More data for this
Ligand-Target Pair
Collagenase 3


(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

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PC cid
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UniChem
US Patent
n/an/a<100n/an/an/an/a7.637



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...

US Patent US9505743 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NK1
More data for this
Ligand-Target Pair
Collagenase 3


(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
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/a7.637



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...

US Patent US9505743 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NK1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%