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SMILES: CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc2[nH]ccc2c1

InChI Key:

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 = 50582189   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50582189
PNG
(CHEMBL5090267)
Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc2[nH]ccc2c1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of hERG ion channel by Q patch-clamp method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01586
BindingDB Entry DOI: 10.7270/Q24T6P88
More data for this
Ligand-Target Pair
Polyketide synthase Pks13


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50582189
PNG
(CHEMBL5090267)
Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc2[nH]ccc2c1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 280n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01586
BindingDB Entry DOI: 10.7270/Q24T6P88
More data for this
Ligand-Target Pair