BindingDB logo
myBDB logout

BDBM50081275 2-{3-[4-Amino-6-(indan-2-ylamino)-[1,3,5]triazin-2-ylamino]-propyl}-3,5-dichloro-phenol::CHEMBL126068

SMILES: Nc1nc(NCCCc2c(O)cc(Cl)cc2Cl)nc(NC2Cc3ccccc3C2)n1

InChI Key: InChIKey=SSIGKQGZOJLDLR-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50081275   
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
rRNA adenine N-6-methyltransferase


(Streptococcus pneumoniae)
BDBM50081275
PNG
(2-{3-[4-Amino-6-(indan-2-ylamino)-[1,3,5]triazin-2...)
Show SMILES Nc1nc(NCCCc2c(O)cc(Cl)cc2Cl)nc(NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C21H22Cl2N6O/c22-14-10-17(23)16(18(30)11-14)6-3-7-25-20-27-19(24)28-21(29-20)26-15-8-12-4-1-2-5-13(12)9-15/h1-2,4-5,10-11,15,30H,3,6-9H2,(H4,24,25,26,27,28,29)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against ErmAM methylase


J Med Chem 42: 3852-9 (1999)


BindingDB Entry DOI: 10.7270/Q21Z43MD
More data for this
Ligand-Target Pair
Erythromycin resistance protein


(Bacillus subtilis)
BDBM50081275
PNG
(2-{3-[4-Amino-6-(indan-2-ylamino)-[1,3,5]triazin-2...)
Show SMILES Nc1nc(NCCCc2c(O)cc(Cl)cc2Cl)nc(NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C21H22Cl2N6O/c22-14-10-17(23)16(18(30)11-14)6-3-7-25-20-27-19(24)28-21(29-20)26-15-8-12-4-1-2-5-13(12)9-15/h1-2,4-5,10-11,15,30H,3,6-9H2,(H4,24,25,26,27,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against ErmC methylase


J Med Chem 42: 3852-9 (1999)


BindingDB Entry DOI: 10.7270/Q21Z43MD
More data for this
Ligand-Target Pair