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BDBM50420178 GUANIDINE

SMILES: NC(N)=N

InChI Key: InChIKey=ZRALSGWEFCBTJO-UHFFFAOYSA-N

Data: 3 KI  2 IC50

PDB links: 56 PDB IDs match 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 5 hits for monomerid = 50420178   
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
Adrenaline alpha2


(RAT)
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
UniProtKB/SwissProt

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MMDB
PC cid
PC sid
PDB
UniChem
PubMed
2.80E+5n/an/an/an/an/an/an/an/a



University of Heidelberg

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of MPP+ uptake in OCT2-expressing HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Adrenaline alpha2


(RAT)
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
UniProtKB/SwissProt

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DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
PubMed
7.14E+5n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT2-expressing MDCK cells


Citation and Details
More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
UniProtKB/SwissProt

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MMDB
PC cid
PC sid
PDB
UniChem
PubMed
7.24E+5n/an/an/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake (basolateral to cell) in OCT1-expressing MDCK cells


Citation and Details
More data for this
Ligand-Target Pair
Adrenaline alpha2


(RAT)
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
UniProtKB/SwissProt

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DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.71E+5n/an/an/an/an/an/a



Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes


Am J Physiol Renal Physiol 281: 454-68 (2001)

More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50420178
PNG
(GUANIDINE)
Show SMILES NC(N)=N
Show InChI InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 4.47E+6n/an/an/an/an/an/a



Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes


Am J Physiol Renal Physiol 281: 454-68 (2001)

More data for this
Ligand-Target Pair