BindingDB logo
myBDB logout

Patent code US9738641

Compile Data Set for Download or QSAR
Found 20 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
Plasma kallikrein


(Homo sapiens (Human))
BDBM335737
PNG
(6-[(1-Benzyl-1H-pyrrolo[3,2-c]pyridin-4-ylamino)-m...)
Show SMILES Nc1nccc2cc(CNc3nccc4n(Cc5ccccc5)ccc34)ccc12
Show InChI InChI=1S/C24H21N5/c25-23-20-7-6-18(14-19(20)8-11-26-23)15-28-24-21-10-13-29(22(21)9-12-27-24)16-17-4-2-1-3-5-17/h1-14H,15-16H2,(H2,25,26)(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.89E+4n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9738641 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335736
PNG
(6-{[1-(2-Phenyl-thiazol-4-ylmethyl)-1H-pyrrolo[3,2...)
Show SMILES Nc1nccc2cc(CNc3nccc4n(Cc5csc(n5)-c5ccccc5)ccc34)ccc12
Show InChI InChI=1S/C27H22N6S/c28-25-22-7-6-18(14-20(22)8-11-29-25)15-31-26-23-10-13-33(24(23)9-12-30-26)16-21-17-34-27(32-21)19-4-2-1-3-5-19/h1-14,17H,15-16H2,(H2,28,29)(H,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.54E+3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9738641 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335745
PNG
((1-Amino-isoquinolin-6-ylmethyl)-{8-[4-(4-methyl-p...)
Show SMILES Cc1cnn(Cc2ccc(CN3CCOc4c(NCc5ccc6c(N)nccc6c5)ncnc34)cc2)c1
Show InChI InChI=1S/C28H28N8O/c1-19-13-34-36(15-19)17-21-4-2-20(3-5-21)16-35-10-11-37-25-27(32-18-33-28(25)35)31-14-22-6-7-24-23(12-22)8-9-30-26(24)29/h2-9,12-13,15,18H,10-11,14,16-17H2,1H3,(H2,29,30)(H,31,32,33)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.05E+4n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9738641 (2017)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM335738
PNG
(1-(4-{4-[(1H-Pyrrolo[2,3-b]pyridin-5-ylmethyl)-ami...)
Show SMILES O=c1ccccn1Cc1ccc(Cn2ccc3c(NCc4cnc5[nH]ccc5c4)nccc23)cc1
Show InChI InChI=1S/C28H24N6O/c35-26-3-1-2-13-34(26)19-21-6-4-20(5-7-21)18-33-14-10-24-25(33)9-12-30-28(24)32-17-22-15-23-8-11-29-27(23)31-16-22/h1-16H,17-19H2,(H,29,31)(H,30,32)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.69E+3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


US Patent US9738641 (2017)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM335742
PNG
(1-{4-[4-(4-Aminomethyl-benzylamino)-pyrrolo[3,2-c]...)
Show SMILES NCc1ccc(CNc2nccc3n(Cc4ccc(Cn5ccccc5=O)cc4)ccc23)cc1
Show InChI InChI=1S/C28H27N5O/c29-17-21-4-6-22(7-5-21)18-31-28-25-13-16-32(26(25)12-14-30-28)19-23-8-10-24(11-9-23)20-33-15-2-1-3-27(33)34/h1-16H,17-20,29H2,(H,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.99E+4n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


US Patent US9738641 (2017)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM335743
PNG
(1-{4-[4-(4-Aminomethyl-2-methyl-benzylamino)-pyrro...)
Show SMILES Cc1cc(CN)ccc1CNc1nccc2n(Cc3ccc(Cn4ccccc4=O)cc3)ccc12
Show InChI InChI=1S/C29H29N5O/c1-21-16-24(17-30)9-10-25(21)18-32-29-26-12-15-33(27(26)11-13-31-29)19-22-5-7-23(8-6-22)20-34-14-3-2-4-28(34)35/h2-16H,17-20,30H2,1H3,(H,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.30E+3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


US Patent US9738641 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335739
PNG
(US9738641, 4 | [1-(2-Phenyl-thiazol-4-ylmethyl)-1H...)
Show SMILES C(Nc1nccc2n(Cc3csc(n3)-c3ccccc3)ccc12)c1cnc2[nH]ccc2c1
Show InChI InChI=1S/C25H20N6S/c1-2-4-18(5-3-1)25-30-20(16-32-25)15-31-11-8-21-22(31)7-10-27-24(21)29-14-17-12-19-6-9-26-23(19)28-13-17/h1-13,16H,14-15H2,(H,26,28)(H,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.32E+3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9738641 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335738
PNG
(1-(4-{4-[(1H-Pyrrolo[2,3-b]pyridin-5-ylmethyl)-ami...)
Show SMILES O=c1ccccn1Cc1ccc(Cn2ccc3c(NCc4cnc5[nH]ccc5c4)nccc23)cc1
Show InChI InChI=1S/C28H24N6O/c35-26-3-1-2-13-34(26)19-21-6-4-20(5-7-21)18-33-14-10-24-25(33)9-12-30-28(24)32-17-22-15-23-8-11-29-27(23)31-16-22/h1-16H,17-19H2,(H,29,31)(H,30,32)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.46E+3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9738641 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335743
PNG
(1-{4-[4-(4-Aminomethyl-2-methyl-benzylamino)-pyrro...)
Show SMILES Cc1cc(CN)ccc1CNc1nccc2n(Cc3ccc(Cn4ccccc4=O)cc3)ccc12
Show InChI InChI=1S/C29H29N5O/c1-21-16-24(17-30)9-10-25(21)18-32-29-26-12-15-33(27(26)11-13-31-29)19-22-5-7-23(8-6-22)20-34-14-3-2-4-28(34)35/h2-16H,17-20,30H2,1H3,(H,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.30E+3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9738641 (2017)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM335739
PNG
(US9738641, 4 | [1-(2-Phenyl-thiazol-4-ylmethyl)-1H...)
Show SMILES C(Nc1nccc2n(Cc3csc(n3)-c3ccccc3)ccc12)c1cnc2[nH]ccc2c1
Show InChI InChI=1S/C25H20N6S/c1-2-4-18(5-3-1)25-30-20(16-32-25)15-31-11-8-21-22(31)7-10-27-24(21)29-14-17-12-19-6-9-26-23(19)28-13-17/h1-13,16H,14-15H2,(H,26,28)(H,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.03E+4n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


US Patent US9738641 (2017)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM335741
PNG
((4-Aminomethyl-2-methyl-benzyl)-[1-(2-phenyl-thiaz...)
Show SMILES Cc1cc(CN)ccc1CNc1nccc2n(Cc3csc(n3)-c3ccccc3)ccc12
Show InChI InChI=1S/C26H25N5S/c1-18-13-19(14-27)7-8-21(18)15-29-25-23-10-12-31(24(23)9-11-28-25)16-22-17-32-26(30-22)20-5-3-2-4-6-20/h2-13,17H,14-16,27H2,1H3,(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.14E+3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


US Patent US9738641 (2017)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM335736
PNG
(6-{[1-(2-Phenyl-thiazol-4-ylmethyl)-1H-pyrrolo[3,2...)
Show SMILES Nc1nccc2cc(CNc3nccc4n(Cc5csc(n5)-c5ccccc5)ccc34)ccc12
Show InChI InChI=1S/C27H22N6S/c28-25-22-7-6-18(14-20(22)8-11-29-25)15-31-26-23-10-13-33(24(23)9-12-30-26)16-21-17-34-27(32-21)19-4-2-1-3-5-19/h1-14,17H,15-16H2,(H2,28,29)(H,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.34E+3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


US Patent US9738641 (2017)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM335737
PNG
(6-[(1-Benzyl-1H-pyrrolo[3,2-c]pyridin-4-ylamino)-m...)
Show SMILES Nc1nccc2cc(CNc3nccc4n(Cc5ccccc5)ccc34)ccc12
Show InChI InChI=1S/C24H21N5/c25-23-20-7-6-18(14-19(20)8-11-26-23)15-28-24-21-10-13-29(22(21)9-12-27-24)16-17-4-2-1-3-5-17/h1-14H,15-16H2,(H2,25,26)(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.74E+3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


US Patent US9738641 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335741
PNG
((4-Aminomethyl-2-methyl-benzyl)-[1-(2-phenyl-thiaz...)
Show SMILES Cc1cc(CN)ccc1CNc1nccc2n(Cc3csc(n3)-c3ccccc3)ccc12
Show InChI InChI=1S/C26H25N5S/c1-18-13-19(14-27)7-8-21(18)15-29-25-23-10-12-31(24(23)9-11-28-25)16-22-17-32-26(30-22)20-5-3-2-4-6-20/h2-13,17H,14-16,27H2,1H3,(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.59E+3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9738641 (2017)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM335744
PNG
((4-Aminomethyl-benzyl)-[1-(2-phenyl-thiazol-4-ylme...)
Show SMILES NCc1ccc(CNc2nccc3n(Cc4csc(n4)-c4ccccc4)ccc23)cc1
Show InChI InChI=1S/C25H23N5S/c26-14-18-6-8-19(9-7-18)15-28-24-22-11-13-30(23(22)10-12-27-24)16-21-17-31-25(29-21)20-4-2-1-3-5-20/h1-13,17H,14-16,26H2,(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.26E+3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


US Patent US9738641 (2017)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM335745
PNG
((1-Amino-isoquinolin-6-ylmethyl)-{8-[4-(4-methyl-p...)
Show SMILES Cc1cnn(Cc2ccc(CN3CCOc4c(NCc5ccc6c(N)nccc6c5)ncnc34)cc2)c1
Show InChI InChI=1S/C28H28N8O/c1-19-13-34-36(15-19)17-21-4-2-20(3-5-21)16-35-10-11-37-25-27(32-18-33-28(25)35)31-14-22-6-7-24-23(12-22)8-9-30-26(24)29/h2-9,12-13,15,18H,10-11,14,16-17H2,1H3,(H2,29,30)(H,31,32,33)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.04E+3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


US Patent US9738641 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335742
PNG
(1-{4-[4-(4-Aminomethyl-benzylamino)-pyrrolo[3,2-c]...)
Show SMILES NCc1ccc(CNc2nccc3n(Cc4ccc(Cn5ccccc5=O)cc4)ccc23)cc1
Show InChI InChI=1S/C28H27N5O/c29-17-21-4-6-22(7-5-21)18-31-28-25-13-16-32(26(25)12-14-30-28)19-23-8-10-24(11-9-23)20-33-15-2-1-3-27(33)34/h1-16H,17-20,29H2,(H,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.37E+3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9738641 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335744
PNG
((4-Aminomethyl-benzyl)-[1-(2-phenyl-thiazol-4-ylme...)
Show SMILES NCc1ccc(CNc2nccc3n(Cc4csc(n4)-c4ccccc4)ccc23)cc1
Show InChI InChI=1S/C25H23N5S/c26-14-18-6-8-19(9-7-18)15-28-24-22-11-13-30(23(22)10-12-27-24)16-21-17-31-25(29-21)20-4-2-1-3-5-20/h1-13,17H,14-16,26H2,(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.10E+3n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9738641 (2017)

More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM335740
PNG
((4-Aminomethyl-benzyl)-[1-(4-phenyl-butyl)-1H-pyrr...)
Show SMILES NCc1ccc(CNc2nccc3n(CCCCc4ccccc4)ccc23)cc1
Show InChI InChI=1S/C25H28N4/c26-18-21-9-11-22(12-10-21)19-28-25-23-14-17-29(24(23)13-15-27-25)16-5-4-8-20-6-2-1-3-7-20/h1-3,6-7,9-15,17H,4-5,8,16,18-19,26H2,(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.86E+4n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
KLK1 inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 185; Shori ...


US Patent US9738641 (2017)

More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM335740
PNG
((4-Aminomethyl-benzyl)-[1-(4-phenyl-butyl)-1H-pyrr...)
Show SMILES NCc1ccc(CNc2nccc3n(CCCCc4ccccc4)ccc23)cc1
Show InChI InChI=1S/C25H28N4/c26-18-21-9-11-22(12-10-21)19-28-25-23-14-17-29(24(23)13-15-27-25)16-5-4-8-20-6-2-1-3-7-20/h1-3,6-7,9-15,17H,4-5,8,16,18-19,26H2,(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.90E+4n/an/an/an/an/an/a



Kalvista Pharmaceuticals Limited

US Patent


Assay Description
Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...


US Patent US9738641 (2017)

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