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BDBM50268312 1-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}ethanol::CHEMBL485869

SMILES: CC(O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12

InChI Key: InChIKey=KDLLHJVVUKOKAC-UHFFFAOYNA-N

Data: 4 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 4 hits for monomerid = 50268312   
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
Smoothened homolog


(Mus musculus)
BDBM50268312
PNG
(1-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]py...)
Show SMILES CC(O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
Show InChI InChI=1/C26H27N5O/c1-19(32)21-11-12-25(27-18-21)30-13-15-31(16-14-30)26-23-10-6-5-9-22(23)24(28-29-26)17-20-7-3-2-4-8-20/h2-12,18-19,32H,13-17H2,1H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 222n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 25 nM 3-chloro-4,7-difluo...


J Med Chem 52: 3954-68 (2009)


Article DOI: 10.1021/jm900309j
BindingDB Entry DOI: 10.7270/Q2CN73T7
More data for this
Ligand-Target Pair
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50268312
PNG
(1-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]py...)
Show SMILES CC(O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
Show InChI InChI=1/C26H27N5O/c1-19(32)21-11-12-25(27-18-21)30-13-15-31(16-14-30)26-23-10-6-5-9-22(23)24(28-29-26)17-20-7-3-2-4-8-20/h2-12,18-19,32H,13-17H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 67n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from huma...


J Med Chem 52: 3954-68 (2009)


Article DOI: 10.1021/jm900309j
BindingDB Entry DOI: 10.7270/Q2CN73T7
More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)
BDBM50268312
PNG
(1-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]py...)
Show SMILES CC(O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
Show InChI InChI=1/C26H27N5O/c1-19(32)21-11-12-25(27-18-21)30-13-15-31(16-14-30)26-23-10-6-5-9-22(23)24(28-29-26)17-20-7-3-2-4-8-20/h2-12,18-19,32H,13-17H2,1H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 61n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]3-chloro-4,7-difluoro-N-(4-methoxy-3-(pyridin-4-yl)benzyl)-N-(4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carboxamide from mous...


J Med Chem 52: 3954-68 (2009)


Article DOI: 10.1021/jm900309j
BindingDB Entry DOI: 10.7270/Q2CN73T7
More data for this
Ligand-Target Pair
Smoothened homolog


(Mus musculus)
BDBM50268312
PNG
(1-{6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]py...)
Show SMILES CC(O)c1ccc(nc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
Show InChI InChI=1/C26H27N5O/c1-19(32)21-11-12-25(27-18-21)30-13-15-31(16-14-30)26-23-10-6-5-9-22(23)24(28-29-26)17-20-7-3-2-4-8-20/h2-12,18-19,32H,13-17H2,1H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Smoothened receptor in mouse TM3 cells transfected with pTA-8xGli-Luc reporter gene assessed as inhibition of 1 nM 3-chloro-4,7-difluor...


J Med Chem 52: 3954-68 (2009)


Article DOI: 10.1021/jm900309j
BindingDB Entry DOI: 10.7270/Q2CN73T7
More data for this
Ligand-Target Pair