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BDBM50388933 CHEMBL2063403

SMILES: O=C1N[C@H]2CS[C@@H](CCCCC#C)[C@H]2N1

InChI Key: InChIKey=MGFIEEWTLUFGHD-GUBZILKMSA-N

Data: 1 KI

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 1 hit for monomerid = 50388933   
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
Biotin--protein ligase


(Homo sapiens)
BDBM50388933
PNG
(CHEMBL2063403)
Show SMILES O=C1N[C@H]2CS[C@@H](CCCCC#C)[C@H]2N1
Show InChI InChI=1S/C11H16N2OS/c1-2-3-4-5-6-9-10-8(7-15-9)12-11(14)13-10/h1,8-10H,3-7H2,(H2,12,13,14)/t8-,9-,10-/m0/s1
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PC sid
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Similars

Article
PubMed
200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-biotin from human BPL after 20 mins by scintillation counting


ACS Med Chem Lett 3: 509-514 (2012)


Article DOI: 10.1021/ml300106p
BindingDB Entry DOI: 10.7270/Q2DZ09CN
More data for this
Ligand-Target Pair