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BDBM50268549 4-{4-[4-(5-Cyanopyridin-2-yl)piperazin-1-yl]phthalazin-1-ylmethyl}benzoic Acid::CHEMBL497218

SMILES: OC(=O)c1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1

InChI Key: InChIKey=AOFZFQXTMXXBDW-UHFFFAOYSA-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 = 50268549   
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)
BDBM50268549
PNG
(4-{4-[4-(5-Cyanopyridin-2-yl)piperazin-1-yl]phthal...)
Show SMILES OC(=O)c1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1
Show InChI InChI=1S/C26H22N6O2/c27-16-19-7-10-24(28-17-19)31-11-13-32(14-12-31)25-22-4-2-1-3-21(22)23(29-30-25)15-18-5-8-20(9-6-18)26(33)34/h1-10,17H,11-15H2,(H,33,34)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>5.00E+3n/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
G-protein- coupled-like receptor Smoothened (Smo)


(Homo sapiens (Human))
BDBM50268549
PNG
(4-{4-[4-(5-Cyanopyridin-2-yl)piperazin-1-yl]phthal...)
Show SMILES OC(=O)c1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1
Show InChI InChI=1S/C26H22N6O2/c27-16-19-7-10-24(28-17-19)31-11-13-32(14-12-31)25-22-4-2-1-3-21(22)23(29-30-25)15-18-5-8-20(9-6-18)26(33)34/h1-10,17H,11-15H2,(H,33,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>5.00E+3n/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)
BDBM50268549
PNG
(4-{4-[4-(5-Cyanopyridin-2-yl)piperazin-1-yl]phthal...)
Show SMILES OC(=O)c1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1
Show InChI InChI=1S/C26H22N6O2/c27-16-19-7-10-24(28-17-19)31-11-13-32(14-12-31)25-22-4-2-1-3-21(22)23(29-30-25)15-18-5-8-20(9-6-18)26(33)34/h1-10,17H,11-15H2,(H,33,34)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>5.00E+3n/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
Smoothened homolog


(Mus musculus)
BDBM50268549
PNG
(4-{4-[4-(5-Cyanopyridin-2-yl)piperazin-1-yl]phthal...)
Show SMILES OC(=O)c1ccc(Cc2nnc(N3CCN(CC3)c3ccc(cn3)C#N)c3ccccc23)cc1
Show InChI InChI=1S/C26H22N6O2/c27-16-19-7-10-24(28-17-19)31-11-13-32(14-12-31)25-22-4-2-1-3-21(22)23(29-30-25)15-18-5-8-20(9-6-18)26(33)34/h1-10,17H,11-15H2,(H,33,34)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>5.00E+3n/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