Found 28 hits with Last Name = 'sukbuntherng' and Initial = 'j' 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)) | BDBM50180517
(2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-3'-ca...)Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(c2)C(N)=O)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C25H21N5O6/c26-22(27)12-4-5-18-19(9-12)30-24(29-18)17-8-14(16(25(35)36)10-20(31)32)7-15(21(17)33)11-2-1-3-13(6-11)23(28)34/h1-9,16,33H,10H2,(H3,26,27)(H2,28,34)(H,29,30)(H,31,32)(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to plasma kallikrein |
Bioorg Med Chem Lett 16: 2034-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.060
BindingDB Entry DOI: 10.7270/Q2P55N3N |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50180400
(2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-6,2'-...)Show SMILES NC(=O)NCc1ccc(O)c(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C26H24N6O7/c27-23(28)12-2-3-18-19(8-12)32-24(31-18)17-7-13(14(25(37)38)9-21(34)35)6-16(22(17)36)15-5-11(1-4-20(15)33)10-30-26(29)39/h1-8,14,33,36H,9-10H2,(H3,27,28)(H,31,32)(H,34,35)(H,37,38)(H3,29,30,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
Curated by ChEMBL
| Assay Description
Binding affinity to f7a |
Bioorg Med Chem Lett 16: 3829-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.018
BindingDB Entry DOI: 10.7270/Q2DN44NK |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50186211
(CHEMBL211482 | N-[3'-(5-carbamimidoyl-1H-indol-2-y...)Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(c1O)-c1cc(CNC(=O)CO)ccc1O Show InChI InChI=1S/C24H22N4O4/c25-24(26)14-5-6-19-15(9-14)10-20(28-19)17-3-1-2-16(23(17)32)18-8-13(4-7-21(18)30)11-27-22(31)12-29/h1-10,28-30,32H,11-12H2,(H3,25,26)(H,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
Curated by ChEMBL
| Assay Description
Binding affinity to f7a |
Bioorg Med Chem Lett 16: 3829-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.018
BindingDB Entry DOI: 10.7270/Q2DN44NK |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM14917
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(Cl)c2)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H19ClN4O5/c25-14-3-1-2-11(6-14)15-7-13(16(24(33)34)10-20(30)31)8-17(21(15)32)23-28-18-5-4-12(22(26)27)9-19(18)29-23/h1-9,16,32H,10H2,(H3,26,27)(H,28,29)(H,30,31)(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to plasma kallikrein |
Bioorg Med Chem Lett 16: 2034-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.060
BindingDB Entry DOI: 10.7270/Q2P55N3N |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM14921
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(O)c2)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H20N4O6/c25-22(26)12-4-5-18-19(9-12)28-23(27-18)17-8-13(16(24(33)34)10-20(30)31)7-15(21(17)32)11-2-1-3-14(29)6-11/h1-9,16,29,32H,10H2,(H3,25,26)(H,27,28)(H,30,31)(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to plasma kallikrein |
Bioorg Med Chem Lett 16: 2034-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.060
BindingDB Entry DOI: 10.7270/Q2P55N3N |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM14914
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)Show SMILES Cc1cccc(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C25H22N4O5/c1-12-3-2-4-13(7-12)16-8-15(17(25(33)34)11-21(30)31)9-18(22(16)32)24-28-19-6-5-14(23(26)27)10-20(19)29-24/h2-10,17,32H,11H2,1H3,(H3,26,27)(H,28,29)(H,30,31)(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to plasma kallikrein |
Bioorg Med Chem Lett 16: 2034-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.060
BindingDB Entry DOI: 10.7270/Q2P55N3N |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50186210
(2-(2,2'-dihydroxy-5-methyl-5'-ureidomethyl-bipheny...)Show SMILES Cc1cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c(O)c(c1)-c1cc(CNC(N)=O)ccc1O Show InChI InChI=1S/C23H22N6O3/c1-11-6-15(14-8-12(2-5-19(14)30)10-27-23(26)32)20(31)16(7-11)22-28-17-4-3-13(21(24)25)9-18(17)29-22/h2-9,30-31H,10H2,1H3,(H3,24,25)(H,28,29)(H3,26,27,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
Curated by ChEMBL
| Assay Description
Binding affinity to f7a |
Bioorg Med Chem Lett 16: 3829-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.018
BindingDB Entry DOI: 10.7270/Q2DN44NK |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50186216
(2-(5-fluoro-2,2'-dihydroxy-5'-ureidomethyl-bipheny...)Show SMILES NC(=O)NCc1ccc(O)c(c1)-c1cc(F)cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O Show InChI InChI=1S/C22H19FN6O3/c23-12-7-14(13-5-10(1-4-18(13)30)9-27-22(26)32)19(31)15(8-12)21-28-16-3-2-11(20(24)25)6-17(16)29-21/h1-8,30-31H,9H2,(H3,24,25)(H,28,29)(H3,26,27,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
Curated by ChEMBL
| Assay Description
Binding affinity to f7a |
Bioorg Med Chem Lett 16: 3829-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.018
BindingDB Entry DOI: 10.7270/Q2DN44NK |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50180516
(2-[5-(5-carbamimidoyl-1H-benzoimidazol-2-yl)-6-hyd...)Show SMILES COc1cccc(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C25H22N4O6/c1-35-15-4-2-3-12(7-15)16-8-14(17(25(33)34)11-21(30)31)9-18(22(16)32)24-28-19-6-5-13(23(26)27)10-20(19)29-24/h2-10,17,32H,11H2,1H3,(H3,26,27)(H,28,29)(H,30,31)(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to plasma kallikrein |
Bioorg Med Chem Lett 16: 2034-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.060
BindingDB Entry DOI: 10.7270/Q2P55N3N |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM14927
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)Show SMILES COc1ccccc1-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C25H22N4O6/c1-35-20-5-3-2-4-14(20)16-8-13(15(25(33)34)11-21(30)31)9-17(22(16)32)24-28-18-7-6-12(23(26)27)10-19(18)29-24/h2-10,15,32H,11H2,1H3,(H3,26,27)(H,28,29)(H,30,31)(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to plasma kallikrein |
Bioorg Med Chem Lett 16: 2034-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.060
BindingDB Entry DOI: 10.7270/Q2P55N3N |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM14912
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)Show SMILES CC(=O)c1cccc(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C26H22N4O6/c1-12(31)13-3-2-4-14(7-13)17-8-16(18(26(35)36)11-22(32)33)9-19(23(17)34)25-29-20-6-5-15(24(27)28)10-21(20)30-25/h2-10,18,34H,11H2,1H3,(H3,27,28)(H,29,30)(H,32,33)(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to plasma kallikrein |
Bioorg Med Chem Lett 16: 2034-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.060
BindingDB Entry DOI: 10.7270/Q2P55N3N |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM14939
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)Show SMILES Cc1ccccc1-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C25H22N4O5/c1-12-4-2-3-5-15(12)17-8-14(16(25(33)34)11-21(30)31)9-18(22(17)32)24-28-19-7-6-13(23(26)27)10-20(19)29-24/h2-10,16,32H,11H2,1H3,(H3,26,27)(H,28,29)(H,30,31)(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to plasma kallikrein |
Bioorg Med Chem Lett 16: 2034-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.060
BindingDB Entry DOI: 10.7270/Q2P55N3N |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM14897
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2ccccc2)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H20N4O5/c25-22(26)13-6-7-18-19(10-13)28-23(27-18)17-9-14(16(24(32)33)11-20(29)30)8-15(21(17)31)12-4-2-1-3-5-12/h1-10,16,31H,11H2,(H3,25,26)(H,27,28)(H,29,30)(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to plasma kallikrein |
Bioorg Med Chem Lett 16: 2034-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.060
BindingDB Entry DOI: 10.7270/Q2P55N3N |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM14920
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(c2)C#N)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C25H19N5O5/c26-11-12-2-1-3-13(6-12)16-7-15(17(25(34)35)10-21(31)32)8-18(22(16)33)24-29-19-5-4-14(23(27)28)9-20(19)30-24/h1-9,17,33H,10H2,(H3,27,28)(H,29,30)(H,31,32)(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to plasma kallikrein |
Bioorg Med Chem Lett 16: 2034-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.060
BindingDB Entry DOI: 10.7270/Q2P55N3N |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM14929
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1ccccc1F)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H19FN4O5/c25-17-4-2-1-3-13(17)15-7-12(14(24(33)34)10-20(30)31)8-16(21(15)32)23-28-18-6-5-11(22(26)27)9-19(18)29-23/h1-9,14,32H,10H2,(H3,26,27)(H,28,29)(H,30,31)(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to plasma kallikrein |
Bioorg Med Chem Lett 16: 2034-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.060
BindingDB Entry DOI: 10.7270/Q2P55N3N |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM14903
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1ccccc1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H20N4O6/c25-22(26)11-5-6-17-18(9-11)28-23(27-17)16-8-12(14(24(33)34)10-20(30)31)7-15(21(16)32)13-3-1-2-4-19(13)29/h1-9,14,29,32H,10H2,(H3,25,26)(H,27,28)(H,30,31)(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to plasma kallikrein |
Bioorg Med Chem Lett 16: 2034-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.060
BindingDB Entry DOI: 10.7270/Q2P55N3N |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50186214
(CHEMBL380098 | hexanoic acid [3'-(5-carbamimidoyl-...)Show SMILES CCCCCC(=O)NCc1ccc(O)c(c1)-c1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O Show InChI InChI=1S/C28H30N4O3/c1-2-3-4-8-26(34)31-16-17-9-12-25(33)22(13-17)20-6-5-7-21(27(20)35)24-15-19-14-18(28(29)30)10-11-23(19)32-24/h5-7,9-15,32-33,35H,2-4,8,16H2,1H3,(H3,29,30)(H,31,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
Curated by ChEMBL
| Assay Description
Binding affinity to f7a |
Bioorg Med Chem Lett 16: 3829-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.018
BindingDB Entry DOI: 10.7270/Q2DN44NK |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM14863
(({3-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-2...)Show SMILES NC(=O)NCc1ccc(O)c(c1)-c1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O Show InChI InChI=1S/C22H20N6O3/c23-20(24)12-5-6-16-17(9-12)28-21(27-16)14-3-1-2-13(19(14)30)15-8-11(4-7-18(15)29)10-26-22(25)31/h1-9,29-30H,10H2,(H3,23,24)(H,27,28)(H3,25,26,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
Curated by ChEMBL
| Assay Description
Binding affinity to f7a |
Bioorg Med Chem Lett 16: 3829-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.018
BindingDB Entry DOI: 10.7270/Q2DN44NK |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50186217
(CHEMBL377990 | [5-(5-carbamimidoyl-1H-benzoimidazo...)Show SMILES NC(=O)NCc1ccc(O)c(c1)-c1cc(CC(O)=O)cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O Show InChI InChI=1S/C24H22N6O5/c25-22(26)13-2-3-17-18(9-13)30-23(29-17)16-7-12(8-20(32)33)6-15(21(16)34)14-5-11(1-4-19(14)31)10-28-24(27)35/h1-7,9,31,34H,8,10H2,(H3,25,26)(H,29,30)(H,32,33)(H3,27,28,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
Curated by ChEMBL
| Assay Description
Binding affinity to f7a |
Bioorg Med Chem Lett 16: 3829-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.018
BindingDB Entry DOI: 10.7270/Q2DN44NK |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50186212
(CHEMBL214351 | N-[3'-(5-carbamimidoyl-1H-indol-2-y...)Show SMILES CN(C)CCCC(=O)NCc1ccc(O)c(c1)-c1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O Show InChI InChI=1S/C28H31N5O3/c1-33(2)12-4-7-26(35)31-16-17-8-11-25(34)22(13-17)20-5-3-6-21(27(20)36)24-15-19-14-18(28(29)30)9-10-23(19)32-24/h3,5-6,8-11,13-15,32,34,36H,4,7,12,16H2,1-2H3,(H3,29,30)(H,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
Curated by ChEMBL
| Assay Description
Binding affinity to f7a |
Bioorg Med Chem Lett 16: 3829-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.018
BindingDB Entry DOI: 10.7270/Q2DN44NK |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50186215
(CHEMBL214352 | morpholine-4-carboxylic acid [3'-(5...)Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(c1O)-c1cc(CNC(=O)N2CCOCC2)ccc1O Show InChI InChI=1S/C27H27N5O4/c28-26(29)17-5-6-22-18(13-17)14-23(31-22)20-3-1-2-19(25(20)34)21-12-16(4-7-24(21)33)15-30-27(35)32-8-10-36-11-9-32/h1-7,12-14,31,33-34H,8-11,15H2,(H3,28,29)(H,30,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
Curated by ChEMBL
| Assay Description
Binding affinity to f7a |
Bioorg Med Chem Lett 16: 3829-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.018
BindingDB Entry DOI: 10.7270/Q2DN44NK |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM14937
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)Show SMILES Cc1ccc(cc1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C25H22N4O5/c1-12-2-4-13(5-3-12)16-8-15(17(25(33)34)11-21(30)31)9-18(22(16)32)24-28-19-7-6-14(23(26)27)10-20(19)29-24/h2-10,17,32H,11H2,1H3,(H3,26,27)(H,28,29)(H,30,31)(H,33,34) | PDB
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to plasma kallikrein |
Bioorg Med Chem Lett 16: 2034-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.060
BindingDB Entry DOI: 10.7270/Q2P55N3N |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM14944
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)Show SMILES COc1ccc(cc1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C25H22N4O6/c1-35-15-5-2-12(3-6-15)16-8-14(17(25(33)34)11-21(30)31)9-18(22(16)32)24-28-19-7-4-13(23(26)27)10-20(19)29-24/h2-10,17,32H,11H2,1H3,(H3,26,27)(H,28,29)(H,30,31)(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to plasma kallikrein |
Bioorg Med Chem Lett 16: 2034-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.060
BindingDB Entry DOI: 10.7270/Q2P55N3N |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM14938
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-5-(...)Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2ccc(Cl)cc2)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H19ClN4O5/c25-14-4-1-11(2-5-14)15-7-13(16(24(33)34)10-20(30)31)8-17(21(15)32)23-28-18-6-3-12(22(26)27)9-19(18)29-23/h1-9,16,32H,10H2,(H3,26,27)(H,28,29)(H,30,31)(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to plasma kallikrein |
Bioorg Med Chem Lett 16: 2034-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.060
BindingDB Entry DOI: 10.7270/Q2P55N3N |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM14943
(2-[3-(5-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-4-h...)Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2ccc(O)cc2)c1O)C(CC(O)=O)C(O)=O Show InChI InChI=1S/C24H20N4O6/c25-22(26)12-3-6-18-19(9-12)28-23(27-18)17-8-13(16(24(33)34)10-20(30)31)7-15(21(17)32)11-1-4-14(29)5-2-11/h1-9,16,29,32H,10H2,(H3,25,26)(H,27,28)(H,30,31)(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Binding affinity to plasma kallikrein |
Bioorg Med Chem Lett 16: 2034-6 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.060
BindingDB Entry DOI: 10.7270/Q2P55N3N |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50186213
(CHEMBL211227 | N-[3'-(5-carbamimidoyl-1H-indol-2-y...)Show SMILES CC(=O)NCc1ccc(O)c(c1)-c1cccc(-c2cc3cc(ccc3[nH]2)C(N)=N)c1O Show InChI InChI=1S/C24H22N4O3/c1-13(29)27-12-14-5-8-22(30)19(9-14)17-3-2-4-18(23(17)31)21-11-16-10-15(24(25)26)6-7-20(16)28-21/h2-11,28,30-31H,12H2,1H3,(H3,25,26)(H,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera
Curated by ChEMBL
| Assay Description
Binding affinity to f7a |
Bioorg Med Chem Lett 16: 3829-32 (2006)
Article DOI: 10.1016/j.bmcl.2006.04.018
BindingDB Entry DOI: 10.7270/Q2DN44NK |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50182057
(2-(5'-fluoro-2,2'-dihydroxy-biphenyl-3-yl)-1H-benz...)Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(c1O)-c1cc(F)ccc1O Show InChI InChI=1S/C20H15FN4O2/c21-11-5-7-17(26)14(9-11)12-2-1-3-13(18(12)27)20-24-15-6-4-10(19(22)23)8-16(15)25-20/h1-9,26-27H,(H3,22,23)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Inhibition of factor7a in Sprague-Dawley rats |
Bioorg Med Chem Lett 16: 2224-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.039
BindingDB Entry DOI: 10.7270/Q2TM79Q2 |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50182056
(3-(1H-benzoimidazol-2-yl)-biphenyl-2,2'-diol | CHE...)Show InChI InChI=1S/C19H14N2O2/c22-17-11-4-1-6-12(17)13-7-5-8-14(18(13)23)19-20-15-9-2-3-10-16(15)21-19/h1-11,22-23H,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics
Curated by ChEMBL
| Assay Description
Inhibition of factor7a in Sprague-Dawley rats |
Bioorg Med Chem Lett 16: 2224-8 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.039
BindingDB Entry DOI: 10.7270/Q2TM79Q2 |
More data for this
Ligand-Target Pair | |
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