Found 18 hits of Enzyme Inhibition Constant Data 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 |
|---|
Coagulation factor X
(Homo sapiens (Human)) | BDBM50042002
(CHEMBL3359576)Show SMILES CN1CCCN(CC1)c1ccc(cc1)C(=O)Nc1c(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |r| Show InChI InChI=1S/C31H33Cl2N5O9/c1-37-9-2-10-38(12-11-37)19-6-3-16(4-7-19)28(42)36-23-20(29(43)35-22-8-5-17(32)15-34-22)13-18(33)14-21(23)46-31-26(41)24(39)25(40)27(47-31)30(44)45/h3-8,13-15,24-27,31,39-41H,2,9-12H2,1H3,(H,36,42)(H,44,45)(H,34,35,43)/t24-,25-,26+,27-,31+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a using S-2222 chromogenic substrate assessed as hydrolysis by microplate reader |
Bioorg Med Chem 23: 277-89 (2015)
Article DOI: 10.1016/j.bmc.2014.11.042
BindingDB Entry DOI: 10.7270/Q2P55Q4X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a using S-2222 chromogenic substrate assessed as hydrolysis by microplate reader |
Bioorg Med Chem 23: 277-89 (2015)
Article DOI: 10.1016/j.bmc.2014.11.042
BindingDB Entry DOI: 10.7270/Q2P55Q4X |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50042001
(CHEMBL3359575)Show SMILES Cl.CN1CCCN(CC1)c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C25H25Cl2N5O2.ClH/c1-31-11-2-12-32(14-13-31)20-7-3-17(4-8-20)24(33)29-22-9-5-18(26)15-21(22)25(34)30-23-10-6-19(27)16-28-23;/h3-10,15-16H,2,11-14H2,1H3,(H,29,33)(H,28,30,34);1H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a using S-2222 chromogenic substrate assessed as hydrolysis by microplate reader |
Bioorg Med Chem 23: 277-89 (2015)
Article DOI: 10.1016/j.bmc.2014.11.042
BindingDB Entry DOI: 10.7270/Q2P55Q4X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50041996
(CHEMBL3359570)Show SMILES Cl.CN1CCCN(CC1)c1ccc(cc1)C(=O)Nc1c(O)cccc1C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C26H27ClN4O3/c1-30-14-3-15-31(17-16-30)21-12-6-18(7-13-21)25(33)29-24-22(4-2-5-23(24)32)26(34)28-20-10-8-19(27)9-11-20/h2,4-13,32H,3,14-17H2,1H3,(H,28,34)(H,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a using S-2222 chromogenic substrate assessed as hydrolysis by microplate reader |
Bioorg Med Chem 23: 277-89 (2015)
Article DOI: 10.1016/j.bmc.2014.11.042
BindingDB Entry DOI: 10.7270/Q2P55Q4X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50042000
(CHEMBL3359574)Show SMILES Cl.CN1CCCN(CC1)c1ccc(cc1)C(=O)Nc1c(O)cc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C25H25Cl2N5O3/c1-31-9-2-10-32(12-11-31)19-6-3-16(4-7-19)24(34)30-23-20(13-18(27)14-21(23)33)25(35)29-22-8-5-17(26)15-28-22/h3-8,13-15,33H,2,9-12H2,1H3,(H,30,34)(H,28,29,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a using S-2222 chromogenic substrate assessed as hydrolysis by microplate reader |
Bioorg Med Chem 23: 277-89 (2015)
Article DOI: 10.1016/j.bmc.2014.11.042
BindingDB Entry DOI: 10.7270/Q2P55Q4X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50041999
(CHEMBL3359573)Show SMILES Cl.CN1CCCN(CC1)c1ccc(cc1)C(=O)Nc1c(O)cccc1C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C25H26ClN5O3.ClH/c1-30-12-3-13-31(15-14-30)19-9-6-17(7-10-19)24(33)29-23-20(4-2-5-21(23)32)25(34)28-22-11-8-18(26)16-27-22;/h2,4-11,16,32H,3,12-15H2,1H3,(H,29,33)(H,27,28,34);1H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a using S-2222 chromogenic substrate assessed as hydrolysis by microplate reader |
Bioorg Med Chem 23: 277-89 (2015)
Article DOI: 10.1016/j.bmc.2014.11.042
BindingDB Entry DOI: 10.7270/Q2P55Q4X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50041993
(CHEMBL3359544)Show SMILES Cl.COc1ccc(NC(=O)c2ccc(C)c(O)c2NC(=O)c2ccc(cc2)N2CCCN(C)CC2)cc1 Show InChI InChI=1S/C28H32N4O4/c1-19-5-14-24(28(35)29-21-8-12-23(36-3)13-9-21)25(26(19)33)30-27(34)20-6-10-22(11-7-20)32-16-4-15-31(2)17-18-32/h5-14,33H,4,15-18H2,1-3H3,(H,29,35)(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a using S-2222 chromogenic substrate assessed as hydrolysis by microplate reader |
Bioorg Med Chem 23: 277-89 (2015)
Article DOI: 10.1016/j.bmc.2014.11.042
BindingDB Entry DOI: 10.7270/Q2P55Q4X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50041992
(CHEMBL3359543)Show SMILES COc1ccc(NC(=O)c2cccc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c2NC(=O)c2ccc(cc2)N2CCCN(C)CC2)cc1 |r| Show InChI InChI=1S/C33H38N4O10/c1-36-15-4-16-37(18-17-36)21-11-7-19(8-12-21)30(41)35-25-23(31(42)34-20-9-13-22(45-2)14-10-20)5-3-6-24(25)46-33-28(40)26(38)27(39)29(47-33)32(43)44/h3,5-14,26-29,33,38-40H,4,15-18H2,1-2H3,(H,34,42)(H,35,41)(H,43,44)/t26-,27-,28+,29-,33+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a using S-2222 chromogenic substrate assessed as hydrolysis by microplate reader |
Bioorg Med Chem 23: 277-89 (2015)
Article DOI: 10.1016/j.bmc.2014.11.042
BindingDB Entry DOI: 10.7270/Q2P55Q4X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50041994
(CHEMBL3359545)Show SMILES Cl.COc1ccc(NC(=O)c2cc(Cl)cc(O)c2NC(=O)c2ccc(cc2)N2CCCN(C)CC2)cc1 Show InChI InChI=1S/C27H29ClN4O4.ClH/c1-31-12-3-13-32(15-14-31)21-8-4-18(5-9-21)26(34)30-25-23(16-19(28)17-24(25)33)27(35)29-20-6-10-22(36-2)11-7-20;/h4-11,16-17,33H,3,12-15H2,1-2H3,(H,29,35)(H,30,34);1H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a using S-2222 chromogenic substrate assessed as hydrolysis by microplate reader |
Bioorg Med Chem 23: 277-89 (2015)
Article DOI: 10.1016/j.bmc.2014.11.042
BindingDB Entry DOI: 10.7270/Q2P55Q4X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50041995
(CHEMBL3359569)Show SMILES Cl.CN1CCCN(CC1)c1ccc(cc1)C(=O)Nc1c(O)cccc1C(=O)Nc1ccc(C)cc1 Show InChI InChI=1S/C27H30N4O3/c1-19-7-11-21(12-8-19)28-27(34)23-5-3-6-24(32)25(23)29-26(33)20-9-13-22(14-10-20)31-16-4-15-30(2)17-18-31/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,34)(H,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a using S-2222 chromogenic substrate assessed as hydrolysis by microplate reader |
Bioorg Med Chem 23: 277-89 (2015)
Article DOI: 10.1016/j.bmc.2014.11.042
BindingDB Entry DOI: 10.7270/Q2P55Q4X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50358260
(CHEMBL1922228)Show SMILES COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)N2CCCN(C)CC2)cc1 Show InChI InChI=1S/C27H30N4O3/c1-30-16-5-17-31(19-18-30)22-12-8-20(9-13-22)26(32)29-25-7-4-3-6-24(25)27(33)28-21-10-14-23(34-2)15-11-21/h3-4,6-15H,5,16-19H2,1-2H3,(H,28,33)(H,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a using S-2222 chromogenic substrate assessed as hydrolysis by microplate reader |
Bioorg Med Chem 23: 277-89 (2015)
Article DOI: 10.1016/j.bmc.2014.11.042
BindingDB Entry DOI: 10.7270/Q2P55Q4X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50041991
(CHEMBL3359542)Show SMILES Cl.COc1ccc(NC(=O)c2cccc(O)c2NC(=O)c2ccc(cc2)N2CCCN(C)CC2)cc1 Show InChI InChI=1S/C27H30N4O4.ClH/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)26(33)29-25-23(5-3-6-24(25)32)27(34)28-20-9-13-22(35-2)14-10-20;/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,34)(H,29,33);1H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a using S-2222 chromogenic substrate assessed as hydrolysis by microplate reader |
Bioorg Med Chem 23: 277-89 (2015)
Article DOI: 10.1016/j.bmc.2014.11.042
BindingDB Entry DOI: 10.7270/Q2P55Q4X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50041997
(CHEMBL3359571)Show SMILES Cl.COc1ccc(NC(=O)c2cccc(O)c2NC(=O)c2ccc(cc2)N2CCCN(C)CC2)nc1 Show InChI InChI=1S/C26H29N5O4.ClH/c1-30-13-4-14-31(16-15-30)19-9-7-18(8-10-19)25(33)29-24-21(5-3-6-22(24)32)26(34)28-23-12-11-20(35-2)17-27-23;/h3,5-12,17,32H,4,13-16H2,1-2H3,(H,29,33)(H,27,28,34);1H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a using S-2222 chromogenic substrate assessed as hydrolysis by microplate reader |
Bioorg Med Chem 23: 277-89 (2015)
Article DOI: 10.1016/j.bmc.2014.11.042
BindingDB Entry DOI: 10.7270/Q2P55Q4X |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50041998
(CHEMBL3359572)Show SMILES Cl.CN1CCCN(CC1)c1ccc(cc1)C(=O)Nc1c(O)cccc1C(=O)Nc1ccc(C)cn1 Show InChI InChI=1S/C26H29N5O3.ClH/c1-18-7-12-23(27-17-18)28-26(34)21-5-3-6-22(32)24(21)29-25(33)19-8-10-20(11-9-19)31-14-4-13-30(2)15-16-31;/h3,5-12,17,32H,4,13-16H2,1-2H3,(H,29,33)(H,27,28,34);1H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human factor 10a using S-2222 chromogenic substrate assessed as hydrolysis by microplate reader |
Bioorg Med Chem 23: 277-89 (2015)
Article DOI: 10.1016/j.bmc.2014.11.042
BindingDB Entry DOI: 10.7270/Q2P55Q4X |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50042002
(CHEMBL3359576)Show SMILES CN1CCCN(CC1)c1ccc(cc1)C(=O)Nc1c(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |r| Show InChI InChI=1S/C31H33Cl2N5O9/c1-37-9-2-10-38(12-11-37)19-6-3-16(4-7-19)28(42)36-23-20(29(43)35-22-8-5-17(32)15-34-22)13-18(33)14-21(23)46-31-26(41)24(39)25(40)27(47-31)30(44)45/h3-8,13-15,24-27,31,39-41H,2,9-12H2,1H3,(H,36,42)(H,44,45)(H,34,35,43)/t24-,25-,26+,27-,31+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Thrombin using S-2222 chromogenic substrate assessed as hydrolysis by microplate reader |
Bioorg Med Chem 23: 277-89 (2015)
Article DOI: 10.1016/j.bmc.2014.11.042
BindingDB Entry DOI: 10.7270/Q2P55Q4X |
More data for this
Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM50042002
(CHEMBL3359576)Show SMILES CN1CCCN(CC1)c1ccc(cc1)C(=O)Nc1c(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |r| Show InChI InChI=1S/C31H33Cl2N5O9/c1-37-9-2-10-38(12-11-37)19-6-3-16(4-7-19)28(42)36-23-20(29(43)35-22-8-5-17(32)15-34-22)13-18(33)14-21(23)46-31-26(41)24(39)25(40)27(47-31)30(44)45/h3-8,13-15,24-27,31,39-41H,2,9-12H2,1H3,(H,36,42)(H,44,45)(H,34,35,43)/t24-,25-,26+,27-,31+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Trypsin using S-2238 chromogenic substrate assessed as hydrolysis by microplate reader |
Bioorg Med Chem 23: 277-89 (2015)
Article DOI: 10.1016/j.bmc.2014.11.042
BindingDB Entry DOI: 10.7270/Q2P55Q4X |
More data for this
Ligand-Target Pair | |
Trypsin
(Homo sapiens (Human)) | BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| Purchase
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| Article
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Trypsin using S-2238 chromogenic substrate assessed as hydrolysis by microplate reader |
Bioorg Med Chem 23: 277-89 (2015)
Article DOI: 10.1016/j.bmc.2014.11.042
BindingDB Entry DOI: 10.7270/Q2P55Q4X |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C25H20F4N4O3S/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30/h2-13H,14,30H2,1H3,(H,31,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human Thrombin using S-2222 chromogenic substrate assessed as hydrolysis by microplate reader |
Bioorg Med Chem 23: 277-89 (2015)
Article DOI: 10.1016/j.bmc.2014.11.042
BindingDB Entry DOI: 10.7270/Q2P55Q4X |
More data for this
Ligand-Target Pair | |
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