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BDBM50441438 CHEMBL2436296

SMILES: Clc1cccc(Cn2c(CN3CCCC3)nc3ccccc23)c1Cl

InChI Key: InChIKey=LNPVOUJCPGTQSA-UHFFFAOYSA-N

Data: 2 IC50

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 = 50441438   
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
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM50441438
PNG
(CHEMBL2436296)
Show SMILES Clc1cccc(Cn2c(CN3CCCC3)nc3ccccc23)c1Cl
Show InChI InChI=1S/C19H19Cl2N3/c20-15-7-5-6-14(19(15)21)12-24-17-9-2-1-8-16(17)22-18(24)13-23-10-3-4-11-23/h1-2,5-9H,3-4,10-13H2
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of HO-1 in Sprague-Dawley rat spleen microsomal fractions assessed as carbon monoxide formation from methemalbumin after 10 mins by gas ch...


Bioorg Med Chem 21: 6788-95 (2013)


Article DOI: 10.1016/j.bmc.2013.07.050
BindingDB Entry DOI: 10.7270/Q27082VV
More data for this
Ligand-Target Pair
Heme Oxygenase 2 (HO-2)


(Rattus norvegicus (rat))
BDBM50441438
PNG
(CHEMBL2436296)
Show SMILES Clc1cccc(Cn2c(CN3CCCC3)nc3ccccc23)c1Cl
Show InChI InChI=1S/C19H19Cl2N3/c20-15-7-5-6-14(19(15)21)12-24-17-9-2-1-8-16(17)22-18(24)13-23-10-3-4-11-23/h1-2,5-9H,3-4,10-13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.47E+4n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of HO-2 in Sprague-Dawley rat brain microsomal fractions assessed as carbon monoxide formation from methemalbumin after 10 mins by gas chr...


Bioorg Med Chem 21: 6788-95 (2013)


Article DOI: 10.1016/j.bmc.2013.07.050
BindingDB Entry DOI: 10.7270/Q27082VV
More data for this
Ligand-Target Pair