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BDBM32647 amino pyrimidine, 6b

SMILES: Cc1nc(cn1Cc1c(Cl)cccc1Cl)-c1ccnc(N)n1

InChI Key: InChIKey=CKSSZTMRRVJNNG-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 32647   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Biotin Carboxylase


(Escherichia coli (strain K12))
BDBM32647
PNG
(amino pyrimidine, 6b)
Show SMILES Cc1nc(cn1Cc1c(Cl)cccc1Cl)-c1ccnc(N)n1
Show InChI InChI=1S/C15H13Cl2N5/c1-9-20-14(13-5-6-19-15(18)21-13)8-22(9)7-10-11(16)3-2-4-12(10)17/h2-6,8H,7H2,1H3,(H2,18,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
DrugBank
PDB
Article
PubMed
n/an/a 334n/an/an/an/a8.023



Pfizer



Assay Description
Assays were performed in 384-well clear bottom plates (Corning; catalog no. 3702), that contained inhibitor solvated in DMSO. To each well of the pla...


ACS Chem Biol 4: 473-83 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)