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BDBM50294164 1-(2,2'-bithiophen-5-yl)methanamine::2,2'-bithiophen-5-ylmethanamine::CHEMBL538940

SMILES: NCc1ccc(s1)-c1cccs1

InChI Key: InChIKey=FHYTVXBZSXZMGD-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50294164   
Target
(Institution)
LigandTarget
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
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM50294164
PNG
(1-(2,2'-bithiophen-5-yl)methanamine | 2,2'-bithiop...)
Show SMILES NCc1ccc(s1)-c1cccs1
Show InChI InChI=1S/C9H9NS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5H,6,10H2
PDB
MMDB

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PC cid
PC sid
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PDB
Article
PubMed
n/an/a 3.89E+4n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM50294164
PNG
(1-(2,2'-bithiophen-5-yl)methanamine | 2,2'-bithiop...)
Show SMILES NCc1ccc(s1)-c1cccs1
Show InChI InChI=1S/C9H9NS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5H,6,10H2
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 7.52E+4n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupo...


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