BDBM225519 GTC000227A
SMILES NCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12
InChI Key InChIKey=DEOIVYWPILSMOB-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 3 hits for monomerid = 225519
BDBM225519(GTC000227A)Show SMILES NCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12 Show InChI InChI=1S/C21H22N8O2S/c22-8-2-10-29(18-4-1-3-17-16(18)13-24-28-17)20-7-9-23-21(27-20)26-15-6-5-14-12-25-32(30,31)19(14)11-15/h1,3-7,9,11,13,25H,2,8,10,12,22H2,(H,24,28)(H,23,26,27)
BDBM225519(GTC000227A)Show SMILES NCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12 Show InChI InChI=1S/C21H22N8O2S/c22-8-2-10-29(18-4-1-3-17-16(18)13-24-28-17)20-7-9-23-21(27-20)26-15-6-5-14-12-25-32(30,31)19(14)11-15/h1,3-7,9,11,13,25H,2,8,10,12,22H2,(H,24,28)(H,23,26,27)
BDBM225519(GTC000227A)Show SMILES NCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12 Show InChI InChI=1S/C21H22N8O2S/c22-8-2-10-29(18-4-1-3-17-16(18)13-24-28-17)20-7-9-23-21(27-20)26-15-6-5-14-12-25-32(30,31)19(14)11-15/h1,3-7,9,11,13,25H,2,8,10,12,22H2,(H,24,28)(H,23,26,27)