BDBM50440842 CHEMBL2431609
SMILES: CCOc1cc(ccc1OC(C)C)[C@@H](Nc1ccc2cnccc2c1)C(=O)NS(=O)(=O)c1cccc(c1)S(N)(=O)=O
InChI Key: InChIKey=QHVDUHFNSHQJRC-HHHXNRCGSA-N
Data: 2 KI
PDB links: 1 PDB ID matches this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50440842 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Coagulation factor III/Factor VIIa (fVIIa)
(Homo sapiens (Human)) | BDBM50440842
(CHEMBL2431609)Show SMILES CCOc1cc(ccc1OC(C)C)[C@@H](Nc1ccc2cnccc2c1)C(=O)NS(=O)(=O)c1cccc(c1)S(N)(=O)=O |r| Show InChI InChI=1S/C28H30N4O7S2/c1-4-38-26-15-20(9-11-25(26)39-18(2)3)27(31-22-10-8-21-17-30-13-12-19(21)14-22)28(33)32-41(36,37)24-7-5-6-23(16-24)40(29,34)35/h5-18,27,31H,4H2,1-3H3,(H,32,33)(H2,29,34,35)/t27-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description Inhibition of human recombinant soluble tissue factor-factor 7a using H-D-Ile-Pro-Arg-pNA as substrate |
Bioorg Med Chem Lett 23: 5244-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.027 BindingDB Entry DOI: 10.7270/Q2S46TDQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50440842
(CHEMBL2431609)Show SMILES CCOc1cc(ccc1OC(C)C)[C@@H](Nc1ccc2cnccc2c1)C(=O)NS(=O)(=O)c1cccc(c1)S(N)(=O)=O |r| Show InChI InChI=1S/C28H30N4O7S2/c1-4-38-26-15-20(9-11-25(26)39-18(2)3)27(31-22-10-8-21-17-30-13-12-19(21)14-22)28(33)32-41(36,37)24-7-5-6-23(16-24)40(29,34)35/h5-18,27,31H,4H2,1-3H3,(H,32,33)(H2,29,34,35)/t27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| >8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description Inhibition of factor 10a (unknown origin) |
Bioorg Med Chem Lett 23: 5244-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.027 BindingDB Entry DOI: 10.7270/Q2S46TDQ |
More data for this Ligand-Target Pair | |