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Compile Data Set for Download or QSAR

Found 2 hits from Chroma Therapeutics   
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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50329615
PNG
(CHEMBL1270139 | N-hydroxy-2-((3aR,6aS)-5-(naphthal...)
Show SMILES ONC(=O)c1cnc(nc1)N1C[C@@H]2CN(Cc3ccc4ccccc4c3)C[C@@H]2C1
Show InChI InChI=1S/C22H23N5O2/c28-21(25-29)18-8-23-22(24-9-18)27-13-19-11-26(12-20(19)14-27)10-15-5-6-16-3-1-2-4-17(16)7-15/h1-9,19-20,29H,10-14H2,(H,25,28)/t19-,20+
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UniProtKB/SwissProt

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DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Chroma Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel


Bioorg Med Chem Lett 20: 6657-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.016
BindingDB Entry DOI: 10.7270/Q2QJ7HH7
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50329615
PNG
(CHEMBL1270139 | N-hydroxy-2-((3aR,6aS)-5-(naphthal...)
Show SMILES ONC(=O)c1cnc(nc1)N1C[C@@H]2CN(Cc3ccc4ccccc4c3)C[C@@H]2C1
Show InChI InChI=1S/C22H23N5O2/c28-21(25-29)18-8-23-22(24-9-18)27-13-19-11-26(12-20(19)14-27)10-15-5-6-16-3-1-2-4-17(16)7-15/h1-9,19-20,29H,10-14H2,(H,25,28)/t19-,20+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Chroma Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 at 50 uM


Bioorg Med Chem Lett 20: 6657-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.016
BindingDB Entry DOI: 10.7270/Q2QJ7HH7
More data for this
Ligand-Target Pair