BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 12 hits of ph data with Target = 'Plasma kallikrein'   
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))
BDBM247412
PNG
(US9453018, 354)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2nn(cc2NC1=O)-c1cccnc1)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1
Show InChI InChI=1S/C32H26Cl2N10O2/c1-19-4-2-6-28(42-18-37-24(14-30(42)45)23-13-21(33)7-8-27(23)44-17-29(34)39-41-44)25-12-20(9-11-36-25)31-26(38-32(19)46)16-43(40-31)22-5-3-10-35-15-22/h3,5,7-19,28H,2,4,6H2,1H3,(H,38,46)/t19-,28+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
10 -47.5n/an/an/an/an/a7.537



Bristol-Myers Squibb Company

US Patent


Assay Description
Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...


US Patent US9453018 (2016)


BindingDB Entry DOI: 10.7270/Q25X27VB
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM247417
PNG
(US9453018, 370 | US9453018, 371)
Show SMILES C[C@@H]1CCC[C@@H](c2ccnc(c2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F
Show InChI InChI=1S/C29H25ClF3N9O2/c1-16-4-3-5-23(17-8-9-34-21(10-17)27-22(37-28(16)44)13-36-40(27)2)41-15-35-20(12-26(41)43)19-11-18(30)6-7-24(19)42-14-25(38-39-42)29(31,32)33/h6-16,23H,3-5H2,1-2H3,(H,37,44)/t16-,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
17 -46.1n/an/an/an/an/a7.537



Bristol-Myers Squibb Company

US Patent


Assay Description
Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...


US Patent US9453018 (2016)


BindingDB Entry DOI: 10.7270/Q25X27VB
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM247417
PNG
(US9453018, 370 | US9453018, 371)
Show SMILES C[C@@H]1CCC[C@@H](c2ccnc(c2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F
Show InChI InChI=1S/C29H25ClF3N9O2/c1-16-4-3-5-23(17-8-9-34-21(10-17)27-22(37-28(16)44)13-36-40(27)2)41-15-35-20(12-26(41)43)19-11-18(30)6-7-24(19)42-14-25(38-39-42)29(31,32)33/h6-16,23H,3-5H2,1-2H3,(H,37,44)/t16-,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
19 -45.8n/an/an/an/an/a7.537



Bristol-Myers Squibb Company

US Patent


Assay Description
Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...


US Patent US9453018 (2016)


BindingDB Entry DOI: 10.7270/Q25X27VB
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM247413
PNG
(US9453018, 362 | US9453018, 363)
Show SMILES C[C@@H]1CCC[C@@H](c2ccnc(c2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1
Show InChI InChI=1S/C28H25Cl2N9O2/c1-16-4-3-5-23(17-8-9-31-21(10-17)27-22(34-28(16)41)13-33-37(27)2)38-15-32-20(12-26(38)40)19-11-18(29)6-7-24(19)39-14-25(30)35-36-39/h6-16,23H,3-5H2,1-2H3,(H,34,41)/t16-,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
22 -45.5n/an/an/an/an/a7.537



Bristol-Myers Squibb Company

US Patent


Assay Description
Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...


US Patent US9453018 (2016)


BindingDB Entry DOI: 10.7270/Q25X27VB
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM247413
PNG
(US9453018, 362 | US9453018, 363)
Show SMILES C[C@@H]1CCC[C@@H](c2ccnc(c2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1
Show InChI InChI=1S/C28H25Cl2N9O2/c1-16-4-3-5-23(17-8-9-31-21(10-17)27-22(34-28(16)41)13-33-37(27)2)38-15-32-20(12-26(38)40)19-11-18(29)6-7-24(19)39-14-25(30)35-36-39/h6-16,23H,3-5H2,1-2H3,(H,34,41)/t16-,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
23 -45.4n/an/an/an/an/a7.537



Bristol-Myers Squibb Company

US Patent


Assay Description
Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...


US Patent US9453018 (2016)


BindingDB Entry DOI: 10.7270/Q25X27VB
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM247414
PNG
(US9453018, 367 | US9453018, 368)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F
Show InChI InChI=1S/C29H25ClF3N9O2/c1-16-4-3-5-24(21-10-17(8-9-34-21)27-22(37-28(16)44)13-36-40(27)2)41-15-35-20(12-26(41)43)19-11-18(30)6-7-23(19)42-14-25(38-39-42)29(31,32)33/h6-16,24H,3-5H2,1-2H3,(H,37,44)/t16-,24+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
24 -45.2n/an/an/an/an/a7.537



Bristol-Myers Squibb Company

US Patent


Assay Description
Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...


US Patent US9453018 (2016)


BindingDB Entry DOI: 10.7270/Q25X27VB
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM247411
PNG
(US9453018, 353)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1
Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
28 -44.8n/an/an/an/an/a7.537



Bristol-Myers Squibb Company

US Patent


Assay Description
Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...


US Patent US9453018 (2016)


BindingDB Entry DOI: 10.7270/Q25X27VB
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM247414
PNG
(US9453018, 367 | US9453018, 368)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F
Show InChI InChI=1S/C29H25ClF3N9O2/c1-16-4-3-5-24(21-10-17(8-9-34-21)27-22(37-28(16)44)13-36-40(27)2)41-15-35-20(12-26(41)43)19-11-18(30)6-7-23(19)42-14-25(38-39-42)29(31,32)33/h6-16,24H,3-5H2,1-2H3,(H,37,44)/t16-,24+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
32 -44.5n/an/an/an/an/a7.537



Bristol-Myers Squibb Company

US Patent


Assay Description
Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...


US Patent US9453018 (2016)


BindingDB Entry DOI: 10.7270/Q25X27VB
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM247416
PNG
(US9453018, 369)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(F)(F)F
Show InChI InChI=1S/C29H23ClF5N9O2/c1-15-3-2-4-23(20-9-16(7-8-36-20)26-21(39-27(15)46)12-38-44(26)28(31)32)42-14-37-19(11-25(42)45)18-10-17(30)5-6-22(18)43-13-24(40-41-43)29(33,34)35/h5-15,23,28H,2-4H2,1H3,(H,39,46)/t15-,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
33 -44.4n/an/an/an/an/a7.537



Bristol-Myers Squibb Company

US Patent


Assay Description
Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...


US Patent US9453018 (2016)


BindingDB Entry DOI: 10.7270/Q25X27VB
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM247418
PNG
(US9453018, 372)
Show SMILES C[C@@H]1CCC[C@@H](c2ccnc(c2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(O)=O
Show InChI InChI=1S/C29H26ClN9O4/c1-16-4-3-5-24(17-8-9-31-21(10-17)27-22(34-28(16)41)13-33-37(27)2)38-15-32-20(12-26(38)40)19-11-18(30)6-7-25(19)39-14-23(29(42)43)35-36-39/h6-16,24H,3-5H2,1-2H3,(H,34,41)(H,42,43)/t16-,24+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
35 -44.3n/an/an/an/an/a7.537



Bristol-Myers Squibb Company

US Patent


Assay Description
Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...


US Patent US9453018 (2016)


BindingDB Entry DOI: 10.7270/Q25X27VB
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM247419
PNG
(US9453018, 373)
Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(nn1)C(O)=O
Show InChI InChI=1S/C29H26ClN9O4/c1-16-4-3-5-25(21-10-17(8-9-31-21)27-22(34-28(16)41)13-33-37(27)2)38-15-32-20(12-26(38)40)19-11-18(30)6-7-24(19)39-14-23(29(42)43)35-36-39/h6-16,25H,3-5H2,1-2H3,(H,34,41)(H,42,43)/t16-,25+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
37 -44.1n/an/an/an/an/a7.537



Bristol-Myers Squibb Company

US Patent


Assay Description
Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...


US Patent US9453018 (2016)


BindingDB Entry DOI: 10.7270/Q25X27VB
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM14714
PNG
((2R)-N-[(3-aminobenzene)sulfonyl]-2-[(4-carbamimid...)
Show SMILES CCOc1cc(OCC)c(F)c(c1)[C@@H](Nc1ccc(C(N)=N)c(O)c1)C(=O)NS(=O)(=O)c1cccc(N)c1
Show InChI InChI=1S/C25H28FN5O6S/c1-3-36-16-12-19(22(26)21(13-16)37-4-2)23(30-15-8-9-18(24(28)29)20(32)11-15)25(33)31-38(34,35)17-7-5-6-14(27)10-17/h5-13,23,30,32H,3-4,27H2,1-2H3,(H3,28,29)(H,31,33)/t23-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
114 -39.2n/an/an/an/an/a7.822



Genentech



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Biol Chem 280: 9160-9 (2005)


Article DOI: 10.1074/jbc.M409068200
BindingDB Entry DOI: 10.7270/Q2JM27W3
More data for this
Ligand-Target Pair