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Patent code US9365853

Compile Data Set for Download or QSAR
Found 7 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
Matriptase


(Homo sapiens (Human))
BDBM236490
PNG
(US9365853, 1)
Show SMILES C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C27H42N12O5S/c1-14(36-24(44)18(10-11-20(29)40)38-23(43)15(28)6-4-12-34-26(30)31)22(42)37-17(8-5-13-35-27(32)33)21(41)25-39-16-7-2-3-9-19(16)45-25/h2-3,7,9,14-15,17-18H,4-6,8,10-13,28H2,1H3,(H2,29,40)(H,36,44)(H,37,42)(H,38,43)(H4,30,31,34)(H4,32,33,35)/t14-,15+,17-,18-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0110n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Enzymatic assays were performed in the following reaction buffer: 50 mM HEPES, pH 7.4 containing 500 μg/ml bovine serum albumin. Enzyme activiti...


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


(Homo sapiens (Human))
BDBM236493
PNG
(US9365853, 4)
Show SMILES C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C21H30N8O4S/c1-11(27-19(33)12(22)8-9-16(23)30)18(32)28-14(6-4-10-26-21(24)25)17(31)20-29-13-5-2-3-7-15(13)34-20/h2-3,5,7,11-12,14H,4,6,8-10,22H2,1H3,(H2,23,30)(H,27,33)(H,28,32)(H4,24,25,26)/t11-,12-,14-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0880n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Enzymatic assays were performed in the following reaction buffer: 50 mM HEPES, pH 7.4 containing 500 μg/ml bovine serum albumin. Enzyme activiti...


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


(Homo sapiens (Human))
BDBM236494
PNG
(US9365853, 5)
Show SMILES C[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C18H24N6O3S/c1-10(22-11(2)25)16(27)23-13(7-5-9-21-18(19)20)15(26)17-24-12-6-3-4-8-14(12)28-17/h3-4,6,8,10,13H,5,7,9H2,1-2H3,(H,22,25)(H,23,27)(H4,19,20,21)/t10-,13-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.40n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Enzymatic assays were performed in the following reaction buffer: 50 mM HEPES, pH 7.4 containing 500 μg/ml bovine serum albumin. Enzyme activiti...


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


(Homo sapiens (Human))
BDBM236496
PNG
(US9365853, 7)
Show SMILES C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C31H47N13O8S/c1-15(40-27(51)19(10-11-22(33)45)42-26(50)16(32)6-4-12-38-30(34)35)25(49)43-20(14-23(46)47)28(52)41-18(8-5-13-39-31(36)37)24(48)29-44-17-7-2-3-9-21(17)53-29/h2-3,7,9,15-16,18-20H,4-6,8,10-14,32H2,1H3,(H2,33,45)(H,40,51)(H,41,52)(H,42,50)(H,43,49)(H,46,47)(H4,34,35,38)(H4,36,37,39)/t15-,16-,18+,19-,20-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
4.60n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Enzymatic assays were performed in the following reaction buffer: 50 mM HEPES, pH 7.4 containing 500 μg/ml bovine serum albumin. Enzyme activiti...


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


(Homo sapiens (Human))
BDBM236492
PNG
(US9365853, 3)
Show SMILES C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C27H42N10O5S/c1-15(34-25(42)19(11-12-21(30)38)36-24(41)16(29)7-6-14-33-27(31)32)23(40)35-18(9-4-5-13-28)22(39)26-37-17-8-2-3-10-20(17)43-26/h2-3,8,10,15-16,18-19H,4-7,9,11-14,28-29H2,1H3,(H2,30,38)(H,34,42)(H,35,40)(H,36,41)(H4,31,32,33)/t15-,16-,18-,19-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
9.5n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Enzymatic assays were performed in the following reaction buffer: 50 mM HEPES, pH 7.4 containing 500 μg/ml bovine serum albumin. Enzyme activiti...


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


(Homo sapiens (Human))
BDBM236495
PNG
(US9365853, 6)
Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
Show InChI InChI=1S/C15H19N5O2S/c1-9(21)19-11(6-4-8-18-15(16)17)13(22)14-20-10-5-2-3-7-12(10)23-14/h2-3,5,7,11H,4,6,8H2,1H3,(H,19,21)(H4,16,17,18)/t11-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
457n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Enzymatic assays were performed in the following reaction buffer: 50 mM HEPES, pH 7.4 containing 500 μg/ml bovine serum albumin. Enzyme activiti...


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


(Homo sapiens (Human))
BDBM236491
PNG
(US9365853, 2)
Show SMILES C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)c1nc2ccccc2s1
Show InChI InChI=1S/C27H44N12O5S/c1-14(36-24(44)18(10-11-20(29)40)38-23(43)15(28)6-4-12-34-26(30)31)22(42)37-17(8-5-13-35-27(32)33)21(41)25-39-16-7-2-3-9-19(16)45-25/h2-3,7,9,14-15,17-18,21,41H,4-6,8,10-13,28H2,1H3,(H2,29,40)(H,36,44)(H,37,42)(H,38,43)(H4,30,31,34)(H4,32,33,35)/t14-,15-,17-,18-,21?/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
6.12E+3n/an/an/an/an/an/an/an/a



TBA

US Patent


Assay Description
Enzymatic assays were performed in the following reaction buffer: 50 mM HEPES, pH 7.4 containing 500 μg/ml bovine serum albumin. Enzyme activiti...


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