Found 200 hits with Last Name = 'vadlakonda' and Initial = 's' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50579244
(Avoralstat | BCX-4161)Show SMILES COc1cc(c(cc1C=C)C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc(nc1C(O)=O)C(=O)NCC1CC1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of purified human plasma kallikrein assessed as inhibition constant using H-D-Pro-Phe-Arg-pNA.2HCl as substrate measured after 3 mins by m... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00511
BindingDB Entry DOI: 10.7270/Q29C7288 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416926
((+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F Show InChI InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of purified human plasma kallikrein assessed as inhibition constant using H-D-Pro-Phe-Arg-pNA.2HCl as substrate measured after 3 mins by m... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00511
BindingDB Entry DOI: 10.7270/Q29C7288 |
More data for this
Ligand-Target Pair | |
Complement factor D
(Homo sapiens (Human)) | BDBM474862
(US10849883, Compound 279a | US11559515, Compound 2...)Show SMILES CN(C1CCN(C)CC1)C(=O)Nc1ccc2n(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)nc(C(N)=O)c2c1 Show InChI InChI=1S/C30H36ClFN8O4/c1-37-12-10-20(11-13-37)38(2)30(44)35-19-6-9-24-22(14-19)28(29(33)43)36-40(24)17-26(42)39(21-7-8-21)16-25(41)34-15-18-4-3-5-23(31)27(18)32/h3-6,9,14,20-21H,7-8,10-13,15-17H2,1-2H3,(H2,33,43)(H,34,41)(H,35,44) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117034
BindingDB Entry DOI: 10.7270/Q24X5CW8 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416981
((+)-N-(5-(1-amino-3-cyclopropyl-1-(pyridin-3-yl)pr...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1cccnc1)C(F)(F)F Show InChI InChI=1S/C29H28F4N6O/c30-23-9-8-20(28(35,11-10-18-6-7-18)21-4-2-12-36-17-21)14-24(23)37-27(40)25-15-26(29(31,32)33)38-39(25)22-5-1-3-19(13-22)16-34/h1-5,8-9,12-15,17-18H,6-7,10-11,16,34-35H2,(H,37,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416981
((+)-N-(5-(1-amino-3-cyclopropyl-1-(pyridin-3-yl)pr...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1cccnc1)C(F)(F)F Show InChI InChI=1S/C29H28F4N6O/c30-23-9-8-20(28(35,11-10-18-6-7-18)21-4-2-12-36-17-21)14-24(23)37-27(40)25-15-26(29(31,32)33)38-39(25)22-5-1-3-19(13-22)16-34/h1-5,8-9,12-15,17-18H,6-7,10-11,16,34-35H2,(H,37,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416926
((+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F Show InChI InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 0.880 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of purified human plasma kallikrein using H-D-Pro-Phe-Arg-pNA.2HCl as substrate measured after 3 mins by microplate reader analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00511
BindingDB Entry DOI: 10.7270/Q29C7288 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM417023
((+)-N-(5-(1-amino-1-(4-carbamoylphenyl)-3-cyclopro...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C(N)=O)C(F)(F)F Show InChI InChI=1S/C31H30F4N6O2/c32-24-11-10-22(30(38,13-12-18-4-5-18)21-8-6-20(7-9-21)28(37)42)15-25(24)39-29(43)26-16-27(31(33,34)35)40-41(26)23-3-1-2-19(14-23)17-36/h1-3,6-11,14-16,18H,4-5,12-13,17,36,38H2,(H2,37,42)(H,39,43) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50607250
(CHEMBL5219146)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(O)(CCC1CC1)c1ccncc1)C(F)(F)F | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50607250
(CHEMBL5219146)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(O)(CCC1CC1)c1ccncc1)C(F)(F)F | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416897
(1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl-1-hy...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(O)(CCC1CC1)c1cccnc1)C(F)(F)F Show InChI InChI=1S/C29H27F4N5O2/c30-23-9-8-20(28(40,11-10-18-6-7-18)21-4-2-12-35-17-21)14-24(23)36-27(39)25-15-26(29(31,32)33)37-38(25)22-5-1-3-19(13-22)16-34/h1-5,8-9,12-15,17-18,40H,6-7,10-11,16,34H2,(H,36,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416946
((+-)-1-(3-(aminomethyl)phenyl)-N-(3-(3-cyclopropyl...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(O)(CCC1CC1)c1ccccc1)C(F)(F)F Show InChI InChI=1S/C30H29F3N4O2/c31-30(32,33)27-18-26(37(36-27)25-11-4-6-21(16-25)19-34)28(38)35-24-10-5-9-23(17-24)29(39,15-14-20-12-13-20)22-7-2-1-3-8-22/h1-11,16-18,20,39H,12-15,19,34H2,(H,35,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416773
(1-(3-(aminomethyl)phenyl)-N-(5-(((cyclopropylmethy...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1ccccc1)C(F)(F)F Show InChI InChI=1S/C29H27F4N5O/c30-23-12-11-21(27(35-17-18-9-10-18)20-6-2-1-3-7-20)14-24(23)36-28(39)25-15-26(29(31,32)33)37-38(25)22-8-4-5-19(13-22)16-34/h1-8,11-15,18,27,35H,9-10,16-17,34H2,(H,36,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of purified human plasma kallikrein using H-D-Pro-Phe-Arg-pNA.2HCl as substrate measured after 3 mins by microplate reader analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00511
BindingDB Entry DOI: 10.7270/Q29C7288 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM417031
((+)-N-(5-(1-amino-3-cyclopropyl-1-(2-methylpyridin...)Show SMILES Cc1cc(ccn1)C(N)(CCC1CC1)c1ccc(F)c(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c1 Show InChI InChI=1S/C30H30F4N6O/c1-18-13-22(10-12-37-18)29(36,11-9-19-5-6-19)21-7-8-24(31)25(15-21)38-28(41)26-16-27(30(32,33)34)39-40(26)23-4-2-3-20(14-23)17-35/h2-4,7-8,10,12-16,19H,5-6,9,11,17,35-36H2,1H3,(H,38,41) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM417031
((+)-N-(5-(1-amino-3-cyclopropyl-1-(2-methylpyridin...)Show SMILES Cc1cc(ccn1)C(N)(CCC1CC1)c1ccc(F)c(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c1 Show InChI InChI=1S/C30H30F4N6O/c1-18-13-22(10-12-37-18)29(36,11-9-19-5-6-19)21-7-8-24(31)25(15-21)38-28(41)26-16-27(30(32,33)34)39-40(26)23-4-2-3-20(14-23)17-35/h2-4,7-8,10,12-16,19H,5-6,9,11,17,35-36H2,1H3,(H,38,41) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM417014
((+-)-N-(5-(1-amino-1-(3-carbamoylphenyl)-3-cyclopr...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1cccc(c1)C(N)=O)C(F)(F)F Show InChI InChI=1S/C31H30F4N6O2/c32-24-10-9-22(30(38,12-11-18-7-8-18)21-5-2-4-20(14-21)28(37)42)15-25(24)39-29(43)26-16-27(31(33,34)35)40-41(26)23-6-1-3-19(13-23)17-36/h1-6,9-10,13-16,18H,7-8,11-12,17,36,38H2,(H2,37,42)(H,39,43) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416975
((+-)-N-(5-(1-amino-3-cyclopropyl-1-(pyridin-2-yl)p...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccccn1)C(F)(F)F Show InChI InChI=1S/C29H28F4N6O/c30-22-10-9-20(28(35,12-11-18-7-8-18)25-6-1-2-13-36-25)15-23(22)37-27(40)24-16-26(29(31,32)33)38-39(24)21-5-3-4-19(14-21)17-34/h1-6,9-10,13-16,18H,7-8,11-12,17,34-35H2,(H,37,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416774
(1-(3-(aminomethyl)phenyl)-N-(3-(3-cyclopropyl-1-hy...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(O)(CCC1CC1)c1ccncc1)C(F)(F)F Show InChI InChI=1S/C29H28F3N5O2/c30-29(31,32)26-17-25(37(36-26)24-6-1-3-20(15-24)18-33)27(38)35-23-5-2-4-22(16-23)28(39,12-9-19-7-8-19)21-10-13-34-14-11-21/h1-6,10-11,13-17,19,39H,7-9,12,18,33H2,(H,35,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416975
((+-)-N-(5-(1-amino-3-cyclopropyl-1-(pyridin-2-yl)p...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccccn1)C(F)(F)F Show InChI InChI=1S/C29H28F4N6O/c30-22-10-9-20(28(35,12-11-18-7-8-18)25-6-1-2-13-36-25)15-23(22)37-27(40)24-16-26(29(31,32)33)38-39(24)21-5-3-4-19(14-21)17-34/h1-6,9-10,13-16,18H,7-8,11-12,17,34-35H2,(H,37,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416996
((+)-N-(5-(1-amino-1-(3-cyanophenyl)-3-cyclopropylp...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1cccc(c1)C#N)C(F)(F)F Show InChI InChI=1S/C31H28F4N6O/c32-25-10-9-23(30(38,12-11-19-7-8-19)22-5-1-3-20(13-22)17-36)15-26(25)39-29(42)27-16-28(31(33,34)35)40-41(27)24-6-2-4-21(14-24)18-37/h1-6,9-10,13-16,19H,7-8,11-12,18,37-38H2,(H,39,42) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416996
((+)-N-(5-(1-amino-1-(3-cyanophenyl)-3-cyclopropylp...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1cccc(c1)C#N)C(F)(F)F Show InChI InChI=1S/C31H28F4N6O/c32-25-10-9-23(30(38,12-11-19-7-8-19)22-5-1-3-20(13-22)17-36)15-26(25)39-29(42)27-16-28(31(33,34)35)40-41(27)24-6-2-4-21(14-24)18-37/h1-6,9-10,13-16,19H,7-8,11-12,18,37-38H2,(H,39,42) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM417024
((+)-N-(5-(1-amino-3-cyclopropyl-1-(pyridin-4-yl)pr...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccncc1)C(F)(F)F Show InChI InChI=1S/C29H28F4N6O/c30-23-7-6-21(28(35,11-8-18-4-5-18)20-9-12-36-13-10-20)15-24(23)37-27(40)25-16-26(29(31,32)33)38-39(25)22-3-1-2-19(14-22)17-34/h1-3,6-7,9-10,12-16,18H,4-5,8,11,17,34-35H2,(H,37,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM417024
((+)-N-(5-(1-amino-3-cyclopropyl-1-(pyridin-4-yl)pr...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccncc1)C(F)(F)F Show InChI InChI=1S/C29H28F4N6O/c30-23-7-6-21(28(35,11-8-18-4-5-18)20-9-12-36-13-10-20)15-24(23)37-27(40)25-16-26(29(31,32)33)38-39(25)22-3-1-2-19(14-22)17-34/h1-3,6-7,9-10,12-16,18H,4-5,8,11,17,34-35H2,(H,37,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM417021
((+)-5-(1-amino-1-(3-(1-(3-(aminomethyl)phenyl)-3-(...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(nc1)C(N)=O)C(F)(F)F Show InChI InChI=1S/C30H29F4N7O2/c31-22-8-6-19(29(37,11-10-17-4-5-17)20-7-9-23(27(36)42)38-16-20)13-24(22)39-28(43)25-14-26(30(32,33)34)40-41(25)21-3-1-2-18(12-21)15-35/h1-3,6-9,12-14,16-17H,4-5,10-11,15,35,37H2,(H2,36,42)(H,39,43) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416926
((+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F Show InChI InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of purified human plasma kallikrein using H-D-Pro-Phe-Arg-pNA.2HCl as substrate measured after 3 mins by microplate reader analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00511
BindingDB Entry DOI: 10.7270/Q29C7288 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416926
((+)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1cccc(c1)C#N)C(F)(F)F Show InChI InChI=1S/C30H26F4N6O/c31-24-10-9-22(28(37-17-18-7-8-18)21-5-1-3-19(11-21)15-35)13-25(24)38-29(41)26-14-27(30(32,33)34)39-40(26)23-6-2-4-20(12-23)16-36/h1-6,9-14,18,28,37H,7-8,16-17,36H2,(H,38,41) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of purified human plasma kallikrein using H-D-Pro-Phe-Arg-pNA.2HCl as substrate measured after 3 mins by microplate reader analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00511
BindingDB Entry DOI: 10.7270/Q29C7288 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416770
(Racemic 1-(3-(aminomethyl)phenyl)-N-(3-(3-cyclopro...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(O)(CCC1CC1)c1cccnc1)C(F)(F)F Show InChI InChI=1S/C29H28F3N5O2/c30-29(31,32)26-16-25(37(36-26)24-8-1-4-20(14-24)17-33)27(38)35-23-7-2-5-21(15-23)28(39,12-11-19-9-10-19)22-6-3-13-34-18-22/h1-8,13-16,18-19,39H,9-12,17,33H2,(H,35,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416987
((+-)-N-(5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccccc1)C(F)(F)F Show InChI InChI=1S/C30H29F4N5O/c31-24-12-11-22(29(36,14-13-19-9-10-19)21-6-2-1-3-7-21)16-25(24)37-28(40)26-17-27(30(32,33)34)38-39(26)23-8-4-5-20(15-23)18-35/h1-8,11-12,15-17,19H,9-10,13-14,18,35-36H2,(H,37,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416987
((+-)-N-(5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccccc1)C(F)(F)F Show InChI InChI=1S/C30H29F4N5O/c31-24-12-11-22(29(36,14-13-19-9-10-19)21-6-2-1-3-7-21)16-25(24)37-28(40)26-17-27(30(32,33)34)38-39(26)23-8-4-5-20(15-23)18-35/h1-8,11-12,15-17,19H,9-10,13-14,18,35-36H2,(H,37,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM417021
((+)-5-(1-amino-1-(3-(1-(3-(aminomethyl)phenyl)-3-(...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(nc1)C(N)=O)C(F)(F)F Show InChI InChI=1S/C30H29F4N7O2/c31-22-8-6-19(29(37,11-10-17-4-5-17)20-7-9-23(27(36)42)38-16-20)13-24(22)39-28(43)25-14-26(30(32,33)34)40-41(25)21-3-1-2-18(12-21)15-35/h1-3,6-9,12-14,16-17H,4-5,10-11,15,35,37H2,(H2,36,42)(H,39,43) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416993
((+)-N-(5-(1-amino-1-(4-cyanophenyl)-3-cyclopropylp...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C31H28F4N6O/c32-25-11-10-23(30(38,13-12-19-4-5-19)22-8-6-20(17-36)7-9-22)15-26(25)39-29(42)27-16-28(31(33,34)35)40-41(27)24-3-1-2-21(14-24)18-37/h1-3,6-11,14-16,19H,4-5,12-13,18,37-38H2,(H,39,42) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416993
((+)-N-(5-(1-amino-1-(4-cyanophenyl)-3-cyclopropylp...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C#N)C(F)(F)F Show InChI InChI=1S/C31H28F4N6O/c32-25-11-10-23(30(38,13-12-19-4-5-19)22-8-6-20(17-36)7-9-22)15-26(25)39-29(42)27-16-28(31(33,34)35)40-41(27)24-3-1-2-21(14-24)18-37/h1-3,6-11,14-16,19H,4-5,12-13,18,37-38H2,(H,39,42) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM417008
((+)-N-(5-(1-amino-1-(6-cyanopyridin-2-yl)-3-cyclop...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1cccc(n1)C#N)C(F)(F)F Show InChI InChI=1S/C30H27F4N7O/c31-23-10-9-20(29(37,12-11-18-7-8-18)26-6-2-4-21(17-36)38-26)14-24(23)39-28(42)25-15-27(30(32,33)34)40-41(25)22-5-1-3-19(13-22)16-35/h1-6,9-10,13-15,18H,7-8,11-12,16,35,37H2,(H,39,42) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416909
(1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl-1-hy...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(O)(CCC1CC1)c1ccccn1)C(F)(F)F Show InChI InChI=1S/C29H27F4N5O2/c30-22-10-9-20(28(40,12-11-18-7-8-18)25-6-1-2-13-35-25)15-23(22)36-27(39)24-16-26(29(31,32)33)37-38(24)21-5-3-4-19(14-21)17-34/h1-6,9-10,13-16,18,40H,7-8,11-12,17,34H2,(H,36,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM417031
((+)-N-(5-(1-amino-3-cyclopropyl-1-(2-methylpyridin...)Show SMILES Cc1cc(ccn1)C(N)(CCC1CC1)c1ccc(F)c(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c1 Show InChI InChI=1S/C30H30F4N6O/c1-18-13-22(10-12-37-18)29(36,11-9-19-5-6-19)21-7-8-24(31)25(15-21)38-28(41)26-16-27(30(32,33)34)39-40(26)23-4-2-3-20(14-23)17-35/h2-4,7-8,10,12-16,19H,5-6,9,11,17,35-36H2,1H3,(H,38,41) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM417024
((+)-N-(5-(1-amino-3-cyclopropyl-1-(pyridin-4-yl)pr...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccncc1)C(F)(F)F Show InChI InChI=1S/C29H28F4N6O/c30-23-7-6-21(28(35,11-8-18-4-5-18)20-9-12-36-13-10-20)15-24(23)37-27(40)25-16-26(29(31,32)33)38-39(25)22-3-1-2-19(14-22)17-34/h1-3,6-7,9-10,12-16,18H,4-5,8,11,17,34-35H2,(H,37,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM417024
((+)-N-(5-(1-amino-3-cyclopropyl-1-(pyridin-4-yl)pr...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccncc1)C(F)(F)F Show InChI InChI=1S/C29H28F4N6O/c30-23-7-6-21(28(35,11-8-18-4-5-18)20-9-12-36-13-10-20)15-24(23)37-27(40)25-16-26(29(31,32)33)38-39(25)22-3-1-2-19(14-22)17-34/h1-3,6-7,9-10,12-16,18H,4-5,8,11,17,34-35H2,(H,37,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416996
((+)-N-(5-(1-amino-1-(3-cyanophenyl)-3-cyclopropylp...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1cccc(c1)C#N)C(F)(F)F Show InChI InChI=1S/C31H28F4N6O/c32-25-10-9-23(30(38,12-11-19-7-8-19)22-5-1-3-20(13-22)17-36)15-26(25)39-29(42)27-16-28(31(33,34)35)40-41(27)24-6-2-4-21(14-24)18-37/h1-6,9-10,13-16,19H,7-8,11-12,18,37-38H2,(H,39,42) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416996
((+)-N-(5-(1-amino-1-(3-cyanophenyl)-3-cyclopropylp...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1cccc(c1)C#N)C(F)(F)F Show InChI InChI=1S/C31H28F4N6O/c32-25-10-9-23(30(38,12-11-19-7-8-19)22-5-1-3-20(13-22)17-36)15-26(25)39-29(42)27-16-28(31(33,34)35)40-41(27)24-6-2-4-21(14-24)18-37/h1-6,9-10,13-16,19H,7-8,11-12,18,37-38H2,(H,39,42) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416938
((+-)-1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(O)(CCC1CC1)c1ccccc1)C(F)(F)F Show InChI InChI=1S/C30H28F4N4O2/c31-24-12-11-22(29(40,14-13-19-9-10-19)21-6-2-1-3-7-21)16-25(24)36-28(39)26-17-27(30(32,33)34)37-38(26)23-8-4-5-20(15-23)18-35/h1-8,11-12,15-17,19,40H,9-10,13-14,18,35H2,(H,36,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416897
(1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl-1-hy...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(O)(CCC1CC1)c1cccnc1)C(F)(F)F Show InChI InChI=1S/C29H27F4N5O2/c30-23-9-8-20(28(40,11-10-18-6-7-18)21-4-2-12-35-17-21)14-24(23)36-27(39)25-15-26(29(31,32)33)37-38(25)22-5-1-3-19(13-22)16-34/h1-5,8-9,12-15,17-18,40H,6-7,10-11,16,34H2,(H,36,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416897
(1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl-1-hy...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(O)(CCC1CC1)c1cccnc1)C(F)(F)F Show InChI InChI=1S/C29H27F4N5O2/c30-23-9-8-20(28(40,11-10-18-6-7-18)21-4-2-12-35-17-21)14-24(23)36-27(39)25-15-26(29(31,32)33)37-38(25)22-5-1-3-19(13-22)16-34/h1-5,8-9,12-15,17-18,40H,6-7,10-11,16,34H2,(H,36,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM417023
((+)-N-(5-(1-amino-1-(4-carbamoylphenyl)-3-cyclopro...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(N)(CCC1CC1)c1ccc(cc1)C(N)=O)C(F)(F)F Show InChI InChI=1S/C31H30F4N6O2/c32-24-11-10-22(30(38,13-12-18-4-5-18)21-8-6-20(7-9-21)28(37)42)15-25(24)39-29(43)26-16-27(31(33,34)35)40-41(26)23-3-1-2-19(14-23)17-36/h1-3,6-11,14-16,18H,4-5,12-13,17,36,38H2,(H2,37,42)(H,39,43) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416774
(1-(3-(aminomethyl)phenyl)-N-(3-(3-cyclopropyl-1-hy...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(O)(CCC1CC1)c1ccncc1)C(F)(F)F Show InChI InChI=1S/C29H28F3N5O2/c30-29(31,32)26-17-25(37(36-26)24-6-1-3-20(15-24)18-33)27(38)35-23-5-2-4-22(16-23)28(39,12-9-19-7-8-19)21-10-13-34-14-11-21/h1-6,10-11,13-17,19,39H,7-9,12,18,33H2,(H,35,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416774
(1-(3-(aminomethyl)phenyl)-N-(3-(3-cyclopropyl-1-hy...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(O)(CCC1CC1)c1ccncc1)C(F)(F)F Show InChI InChI=1S/C29H28F3N5O2/c30-29(31,32)26-17-25(37(36-26)24-6-1-3-20(15-24)18-33)27(38)35-23-5-2-4-22(16-23)28(39,12-9-19-7-8-19)21-10-13-34-14-11-21/h1-6,10-11,13-17,19,39H,7-9,12,18,33H2,(H,35,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416938
((+-)-1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(O)(CCC1CC1)c1ccccc1)C(F)(F)F Show InChI InChI=1S/C30H28F4N4O2/c31-24-12-11-22(29(40,14-13-19-9-10-19)21-6-2-1-3-7-21)16-25(24)36-28(39)26-17-27(30(32,33)34)37-38(26)23-8-4-5-20(15-23)18-35/h1-8,11-12,15-17,19,40H,9-10,13-14,18,35H2,(H,36,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416938
((+-)-1-(3-(aminomethyl)phenyl)-N-(5-(3-cyclopropyl...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(O)(CCC1CC1)c1ccccc1)C(F)(F)F Show InChI InChI=1S/C30H28F4N4O2/c31-24-12-11-22(29(40,14-13-19-9-10-19)21-6-2-1-3-7-21)16-25(24)36-28(39)26-17-27(30(32,33)34)37-38(26)23-8-4-5-20(15-23)18-35/h1-8,11-12,15-17,19,40H,9-10,13-14,18,35H2,(H,36,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416796
(1-(3-(aminomethyl)phenyl)-N-(5-(((cyclopropylmethy...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cc(ccc1F)C(NCC1CC1)c1ccncc1)C(F)(F)F Show InChI InChI=1S/C28H26F4N6O/c29-22-7-6-20(26(35-16-17-4-5-17)19-8-10-34-11-9-19)13-23(22)36-27(39)24-14-25(28(30,31)32)37-38(24)21-3-1-2-18(12-21)15-33/h1-3,6-14,17,26,35H,4-5,15-16,33H2,(H,36,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of purified human plasma kallikrein using H-D-Pro-Phe-Arg-pNA.2HCl as substrate measured after 3 mins by microplate reader analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00511
BindingDB Entry DOI: 10.7270/Q29C7288 |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM439347
(US10633345, Compound 41e | US10689346, Compound 41...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(NCC1CC1)c1ccccc1)C(F)(F)F Show InChI InChI=1S/C29H28F3N5O/c30-29(31,32)26-16-25(37(36-26)24-11-4-6-20(14-24)17-33)28(38)35-23-10-5-9-22(15-23)27(34-18-19-12-13-19)21-7-2-1-3-8-21/h1-11,14-16,19,27,34H,12-13,17-18,33H2,(H,35,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416770
(Racemic 1-(3-(aminomethyl)phenyl)-N-(3-(3-cyclopro...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(O)(CCC1CC1)c1cccnc1)C(F)(F)F Show InChI InChI=1S/C29H28F3N5O2/c30-29(31,32)26-16-25(37(36-26)24-8-1-4-20(14-24)17-33)27(38)35-23-7-2-5-21(15-23)28(39,12-11-19-9-10-19)22-6-3-13-34-18-22/h1-8,13-16,18-19,39H,9-12,17,33H2,(H,35,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM416770
(Racemic 1-(3-(aminomethyl)phenyl)-N-(3-(3-cyclopro...)Show SMILES NCc1cccc(c1)-n1nc(cc1C(=O)Nc1cccc(c1)C(O)(CCC1CC1)c1cccnc1)C(F)(F)F Show InChI InChI=1S/C29H28F3N5O2/c30-29(31,32)26-16-25(37(36-26)24-8-1-4-20(14-24)17-33)27(38)35-23-7-2-5-21(15-23)28(39,12-11-19-9-10-19)22-6-3-13-34-18-22/h1-8,13-16,18-19,39H,9-12,17,33H2,(H,35,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117035
BindingDB Entry DOI: 10.7270/Q2FB572S |
More data for this
Ligand-Target Pair | |
Search and Browse
