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BDBM50327355 CHEMBL4164691

SMILES: Cc1cc2nc(c(C#N)c(N3CCC4(CCNC4=O)CC3)c2[nH]1)C(F)(F)F

InChI Key: InChIKey=USIFVUPEAZENII-UHFFFAOYSA-N

Data: 1 KI  5 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 6 hits for monomerid = 50327355   
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
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327355
PNG
(CHEMBL4164691)
Show SMILES Cc1cc2nc(c(C#N)c(N3CCC4(CCNC4=O)CC3)c2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H18F3N5O/c1-10-8-12-13(24-10)14(11(9-22)15(25-12)18(19,20)21)26-6-3-17(4-7-26)2-5-23-16(17)27/h8,24H,2-7H2,1H3,(H,23,27)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
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UniChem

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Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of (C[3H]3) from NaPi2a (unknown origin) expressed in HEK293 cell membranes coexpressing tetracyclin after 1 hr by scintillation countin...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2C


(Homo sapiens)
BDBM50327355
PNG
(CHEMBL4164691)
Show SMILES Cc1cc2nc(c(C#N)c(N3CCC4(CCNC4=O)CC3)c2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H18F3N5O/c1-10-8-12-13(24-10)14(11(9-22)15(25-12)18(19,20)21)26-6-3-17(4-7-26)2-5-23-16(17)27/h8,24H,2-7H2,1H3,(H,23,27)
UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem

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Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NaPi2c expressed in HEK293 cells coexpressing tetracyclin assessed as reduction in uptake of 33P-radiolabeled Pi incubated for 20...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transporter 1


(Homo sapiens)
BDBM50327355
PNG
(CHEMBL4164691)
Show SMILES Cc1cc2nc(c(C#N)c(N3CCC4(CCNC4=O)CC3)c2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H18F3N5O/c1-10-8-12-13(24-10)14(11(9-22)15(25-12)18(19,20)21)26-6-3-17(4-7-26)2-5-23-16(17)27/h8,24H,2-7H2,1H3,(H,23,27)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Pit-1 expressed in HEK293 cells coexpressing tetracyclin assessed as reduction in uptake of 33P-radiolabeled Pi incubated for 20 ...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transporter 2


(Homo sapiens)
BDBM50327355
PNG
(CHEMBL4164691)
Show SMILES Cc1cc2nc(c(C#N)c(N3CCC4(CCNC4=O)CC3)c2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H18F3N5O/c1-10-8-12-13(24-10)14(11(9-22)15(25-12)18(19,20)21)26-6-3-17(4-7-26)2-5-23-16(17)27/h8,24H,2-7H2,1H3,(H,23,27)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Pit-2 expressed in HEK293 cells coexpressing tetracyclin assessed as reduction in uptake of 33P-radiolabeled Pi incubated for 20 ...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2A


(Homo sapiens)
BDBM50327355
PNG
(CHEMBL4164691)
Show SMILES Cc1cc2nc(c(C#N)c(N3CCC4(CCNC4=O)CC3)c2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H18F3N5O/c1-10-8-12-13(24-10)14(11(9-22)15(25-12)18(19,20)21)26-6-3-17(4-7-26)2-5-23-16(17)27/h8,24H,2-7H2,1H3,(H,23,27)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NaPi2a expressed in HEK293 cells coexpressing tetracyclin assessed as reduction in uptake of 33P-radiolabeled Pi incubated for 20...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair
Sodium-dependent phosphate transport protein 2B


()
BDBM50327355
PNG
(CHEMBL4164691)
Show SMILES Cc1cc2nc(c(C#N)c(N3CCC4(CCNC4=O)CC3)c2[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H18F3N5O/c1-10-8-12-13(24-10)14(11(9-22)15(25-12)18(19,20)21)26-6-3-17(4-7-26)2-5-23-16(17)27/h8,24H,2-7H2,1H3,(H,23,27)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NaPi2b expressed in HEK293 cells coexpressing tetracyclin assessed as reduction in uptake of 33P-radiolabeled Pi incubated for 20...


ACS Med Chem Lett 9: 440-445 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00013
BindingDB Entry DOI: 10.7270/Q26T0Q7K
More data for this
Ligand-Target Pair