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BDBM246585 (2,4-Dimethoxyphenyl)(3,4-dimethoxyphenyl)methanamine hydrochloride (23)

SMILES: COc1ccc(C(N)c2ccc(OC)c(OC)c2)c(OC)c1

InChI Key: InChIKey=LLYDGUOAILVNSC-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 = 246585   
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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM246585
PNG
((2,4-Dimethoxyphenyl)(3,4-dimethoxyphenyl)methanam...)
Show SMILES COc1ccc(C(N)c2ccc(OC)c(OC)c2)c(OC)c1
Show InChI InChI=1S/C17H21NO4/c1-19-12-6-7-13(15(10-12)21-3)17(18)11-5-8-14(20-2)16(9-11)22-4/h5-10,17H,18H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
3.43E+4 -6.09n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM246585
PNG
((2,4-Dimethoxyphenyl)(3,4-dimethoxyphenyl)methanam...)
Show SMILES COc1ccc(C(N)c2ccc(OC)c(OC)c2)c(OC)c1
Show InChI InChI=1S/C17H21NO4/c1-19-12-6-7-13(15(10-12)21-3)17(18)11-5-8-14(20-2)16(9-11)22-4/h5-10,17H,18H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
3.60E+4 -6.06n/an/an/an/an/a7.425



Atatürk University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 29: 168-74 (2014)


Article DOI: 10.3109/14756366.2012.763163
BindingDB Entry DOI: 10.7270/Q2H99447
More data for this
Ligand-Target Pair