BDBM50035943 CHEMBL3338731
SMILES: COc1ccc(cc1)-c1nn(cc1C1SC(NC(C)=O)=NN1C(C)=O)-c1ccccc1
InChI Key: InChIKey=ODRWLHLGKCRXIZ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50035943 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 |
Prostaglandin G/H synthase 1
(Ovis aries (Sheep)) | BDBM50035943
(CHEMBL3338731)Show SMILES COc1ccc(cc1)-c1nn(cc1C1SC(NC(C)=O)=NN1C(C)=O)-c1ccccc1 |c:21| Show InChI InChI=1S/C22H21N5O3S/c1-14(28)23-22-25-27(15(2)29)21(31-22)19-13-26(17-7-5-4-6-8-17)24-20(19)16-9-11-18(30-3)12-10-16/h4-13,21H,1-3H3,(H,23,25,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
KLE University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX1 |
Bioorg Med Chem Lett 24: 5324-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.08.062 BindingDB Entry DOI: 10.7270/Q2X92CXH |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Ovis aries (Sheep)) | BDBM50035943
(CHEMBL3338731)Show SMILES COc1ccc(cc1)-c1nn(cc1C1SC(NC(C)=O)=NN1C(C)=O)-c1ccccc1 |c:21| Show InChI InChI=1S/C22H21N5O3S/c1-14(28)23-22-25-27(15(2)29)21(31-22)19-13-26(17-7-5-4-6-8-17)24-20(19)16-9-11-18(30-3)12-10-16/h4-13,21H,1-3H3,(H,23,25,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
KLE University
Curated by ChEMBL
| Assay Description Inhibition of ovine COX2 |
Bioorg Med Chem Lett 24: 5324-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.08.062 BindingDB Entry DOI: 10.7270/Q2X92CXH |
More data for this Ligand-Target Pair | |