BDBM50240473 CHEMBL4095415
SMILES: Cn1cc(ccc1=O)-c1ccc(C(=O)N[C@@H]2CCN(C2)c2ncc(Cl)c3c(N)noc23)c(Cl)c1
InChI Key: InChIKey=JQBSDZXMCJAJKM-CQSZACIVSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50240473 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 X
(Homo sapiens (Human)) | BDBM50240473
(CHEMBL4095415)Show SMILES Cn1cc(ccc1=O)-c1ccc(C(=O)N[C@@H]2CCN(C2)c2ncc(Cl)c3c(N)noc23)c(Cl)c1 |r| Show InChI InChI=1S/C23H20Cl2N6O3/c1-30-10-13(3-5-18(30)32)12-2-4-15(16(24)8-12)23(33)28-14-6-7-31(11-14)22-20-19(17(25)9-27-22)21(26)29-34-20/h2-5,8-10,14H,6-7,11H2,1H3,(H2,26,29)(H,28,33)/t14-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mochida Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human coagulation factor 10a |
Bioorg Med Chem Lett 27: 2622-2628 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.002 BindingDB Entry DOI: 10.7270/Q28054RH |
More data for this Ligand-Target Pair | |
Coagulation factor IX
(Homo sapiens (Human)) | BDBM50240473
(CHEMBL4095415)Show SMILES Cn1cc(ccc1=O)-c1ccc(C(=O)N[C@@H]2CCN(C2)c2ncc(Cl)c3c(N)noc23)c(Cl)c1 |r| Show InChI InChI=1S/C23H20Cl2N6O3/c1-30-10-13(3-5-18(30)32)12-2-4-15(16(24)8-12)23(33)28-14-6-7-31(11-14)22-20-19(17(25)9-27-22)21(26)29-34-20/h2-5,8-10,14H,6-7,11H2,1H3,(H2,26,29)(H,28,33)/t14-/m1/s1 | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Mochida Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibitory activity against purified human renal renin at pH 6.5 |
Bioorg Med Chem Lett 27: 2622-2628 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.002 BindingDB Entry DOI: 10.7270/Q28054RH |
More data for this Ligand-Target Pair | |