BDBM50461568 CHEMBL4225198

SMILES C[C@H](NC(C)=O)C(=O)N1C[C@H](O)C[C@H]1C(=S)NCc1ccc(cc1)-c1scnc1C

InChI Key InChIKey=XGBXEQHIGHVMKO-VHSSKADRSA-N

Data  2 Kd

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50461568   

TargetElongin-C(Homo sapiens (Human))
University of Dundee

Curated by ChEMBL
LigandPNGBDBM50461568(CHEMBL4225198)
Show SMILES C[C@H](NC(C)=O)C(=O)N1C[C@H](O)C[C@H]1C(=S)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C21H26N4O3S2/c1-12-19(30-11-23-12)16-6-4-15(5-7-16)9-22-20(29)18-8-17(27)10-25(18)21(28)13(2)24-14(3)26/h4-7,11,13,17-18,27H,8-10H2,1-3H3,(H,22,29)(H,24,26)/t13-,17+,18-/m0/s1
Affinity DataKd:  7.07E+3nMAssay Description:Binding affinity to VBC complex (unknown origin) assessed as reduction of FAM-labelled HIF1alpha peptide binding by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetElongin-C(Homo sapiens (Human))
University of Dundee

Curated by ChEMBL
LigandPNGBDBM50461568(CHEMBL4225198)
Show SMILES C[C@H](NC(C)=O)C(=O)N1C[C@H](O)C[C@H]1C(=S)NCc1ccc(cc1)-c1scnc1C
Show InChI InChI=1S/C21H26N4O3S2/c1-12-19(30-11-23-12)16-6-4-15(5-7-16)9-22-20(29)18-8-17(27)10-25(18)21(28)13(2)24-14(3)26/h4-7,11,13,17-18,27H,8-10H2,1-3H3,(H,22,29)(H,24,26)/t13-,17+,18-/m0/s1
Affinity DataKd:  9.40E+3nMAssay Description:Binding affinity to VBC complex (unknown origin) by ITC assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB