Found 3 hits 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
(51/51 = 100%)†
(Homo sapiens (Human)) | BDBM50328726
((2R,4R)-N1-(4-chlorophenyl)-N2-(3-fluoro-2'-(methy...)Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O |r| Show InChI InChI=1S/C26H25ClFN3O5S/c1-36-19-14-23(31(15-19)26(33)29-18-10-8-17(27)9-11-18)25(32)30-22-12-7-16(13-21(22)28)20-5-3-4-6-24(20)37(2,34)35/h3-13,19,23H,14-15H2,1-2H3,(H,29,33)(H,30,32)/t19-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development,
| Assay Description
FXa inhibition were determined by using an inhibition assay. |
Chem Biol Drug Des 69: 444-50 (2007)
Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Coagulation factor X
(51/51 = 100%)†
(Homo sapiens (Human)) | BDBM50328726
((2R,4R)-N1-(4-chlorophenyl)-N2-(3-fluoro-2'-(methy...)Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O |r| Show InChI InChI=1S/C26H25ClFN3O5S/c1-36-19-14-23(31(15-19)26(33)29-18-10-8-17(27)9-11-18)25(32)30-22-12-7-16(13-21(22)28)20-5-3-4-6-24(20)37(2,34)35/h3-13,19,23H,14-15H2,1-2H3,(H,29,33)(H,30,32)/t19-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a |
J Med Chem 53: 6243-74 (2010)
Article DOI: 10.1021/jm100146h
BindingDB Entry DOI: 10.7270/Q2CR5VBB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Coagulation factor X
(51/51 = 100%)†
(Homo sapiens (Human)) | BDBM50328726
((2R,4R)-N1-(4-chlorophenyl)-N2-(3-fluoro-2'-(methy...)Show SMILES CO[C@@H]1C[C@@H](N(C1)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O |r| Show InChI InChI=1S/C26H25ClFN3O5S/c1-36-19-14-23(31(15-19)26(33)29-18-10-8-17(27)9-11-18)25(32)30-22-12-7-16(13-21(22)28)20-5-3-4-6-24(20)37(2,34)35/h3-13,19,23H,14-15H2,1-2H3,(H,29,33)(H,30,32)/t19-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development,
| Assay Description
FXa inhibition were determined by using an inhibition assay. |
Chem Biol Drug Des 69: 444-50 (2007)
Article DOI: 10.1111/j.1747-0285.2007.00520.x
BindingDB Entry DOI: 10.7270/Q2PZ5799 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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