BindingDB logo
myBDB logout

null

SMILES: O=C(Cn1ccnc1)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=BBCQJSMDKDHVKG-UHFFFAOYSA-N

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 3 hits for monomerid = 50252801   
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


(Rattus norvegicus (rat))
BDBM50252801
PNG
(1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone hy...)
Show SMILES O=C(Cn1ccnc1)C12CC3CC(CC(C3)C1)C2 |TLB:1:8:11.10.15:13,THB:1:8:11:15.14.13,9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
Show InChI InChI=1S/C15H20N2O/c18-14(9-17-2-1-16-10-17)15-6-11-3-12(7-15)5-13(4-11)8-15/h1-2,10-13H,3-9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
Inhibition of HO1 in rat spleen microsomal fraction assessed as carbon monoxide production


J Med Chem 51: 5943-52 (2008)


Article DOI: 10.1021/jm800505m
BindingDB Entry DOI: 10.7270/Q2RX9BWZ
More data for this
Ligand-Target Pair
Heme oxygenase 1


(Rattus norvegicus (rat))
BDBM50252801
PNG
(1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone hy...)
Show SMILES O=C(Cn1ccnc1)C12CC3CC(CC(C3)C1)C2 |TLB:1:8:11.10.15:13,THB:1:8:11:15.14.13,9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
Show InChI InChI=1S/C15H20N2O/c18-14(9-17-2-1-16-10-17)15-6-11-3-12(7-15)5-13(4-11)8-15/h1-2,10-13H,3-9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-1 in rat spleen microsomes incubated for 15 mins


Eur J Med Chem 167: 439-453 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.027
BindingDB Entry DOI: 10.7270/Q2P55S0Z
More data for this
Ligand-Target Pair
Heme oxygenase 2


(Homo sapiens)
BDBM50252801
PNG
(1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone hy...)
Show SMILES O=C(Cn1ccnc1)C12CC3CC(CC(C3)C1)C2 |TLB:1:8:11.10.15:13,THB:1:8:11:15.14.13,9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8|
Show InChI InChI=1S/C15H20N2O/c18-14(9-17-2-1-16-10-17)15-6-11-3-12(7-15)5-13(4-11)8-15/h1-2,10-13H,3-9H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO-2 (unknown origin)


Eur J Med Chem 167: 439-453 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.027
BindingDB Entry DOI: 10.7270/Q2P55S0Z
More data for this
Ligand-Target Pair