BDBM50421255 CHEMBL2087873

SMILES CN(C)CCOc1ccc(cc1)-c1[nH]c2ncnc(NCC3SCCS3)c2c1-c1ccccc1

InChI Key InChIKey=RHDMCDPPAAUUMD-UHFFFAOYSA-N

Data  1 KI  1 IC50

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 = 50421255   

TargetActivated CDC42 kinase 1(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50421255(CHEMBL2087873)
Show SMILES CN(C)CCOc1ccc(cc1)-c1[nH]c2ncnc(NCC3SCCS3)c2c1-c1ccccc1
Show InChI InChI=1S/C26H29N5OS2/c1-31(2)12-13-32-20-10-8-19(9-11-20)24-22(18-6-4-3-5-7-18)23-25(28-17-29-26(23)30-24)27-16-21-33-14-15-34-21/h3-11,17,21H,12-16H2,1-2H3,(H2,27,28,29,30)
Affinity DataKi:  0.300nMAssay Description:Inhibition of N-terminal His6-tagged ACK1 expressed in baculovirus infected Hi5 cells assessed as inhibition of autophosphorylation after 2 hrs by EL...More data for this Ligand-Target Pair
TargetActivated CDC42 kinase 1(Mus musculus)
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50421255(CHEMBL2087873)
Show SMILES CN(C)CCOc1ccc(cc1)-c1[nH]c2ncnc(NCC3SCCS3)c2c1-c1ccccc1
Show InChI InChI=1S/C26H29N5OS2/c1-31(2)12-13-32-20-10-8-19(9-11-20)24-22(18-6-4-3-5-7-18)23-25(28-17-29-26(23)30-24)27-16-21-33-14-15-34-21/h3-11,17,21H,12-16H2,1-2H3,(H2,27,28,29,30)
Affinity DataIC50: 5nMAssay Description:Inhibition of ACK1 in mouse C8 cells assessed as decrease in cell viability after 20 to 24 hrsMore data for this Ligand-Target Pair