Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Endoplasmin' and Ligand = 'BDBM31996'
TargetEndoplasmin(Canis familiaris)
Infinity Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM31996(17-(dimethylaminoethylamino)-17-demethoxygeldanamy...)
Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCN(C)C
Show InChI InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-12,16-18,20,25-26,28,30,37-39H,13-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9?,19-10?,21-16+,34-12?/t18-,20+,25+,26+,28-,30+/m1/s1
Affinity DataEC50:  65nMAssay Description:Inhibition of BODIPY-AG binding to dog Grp94More data for this Ligand-Target Pair