BindingDB logo
myBDB logout

4 similar compounds to monomer 50336991

Wt: 335.3
BDBM50336977
Wt: 335.3
BDBM50336978
Wt: 353.3
BDBM50336981
Wt: 352.3
BDBM50336996

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50336977,50336978,50336981,50336996   
Target
(Institution)
LigandTarget
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
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50336996
PNG
(CHEMBL1672631 | N-[6-(2-Fluorophenyl)-5-(3-fluorop...)
Show SMILES Fc1ccccc1-c1nc(NC(=O)C2CC2)cnc1-c1ccncc1F
Show InChI InChI=1S/C19H14F2N4O/c20-14-4-2-1-3-12(14)18-17(13-7-8-22-9-15(13)21)23-10-16(24-18)25-19(26)11-5-6-11/h1-4,7-11H,5-6H2,(H,24,25,26)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
0.600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50336978
PNG
(CHEMBL1672630 | N-(5-(3-chloropyridin-4-yl)-6-(pyr...)
Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1ccncc1
Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-8-5-13(14)17-16(11-3-6-20-7-4-11)23-15(10-22-17)24-18(25)12-1-2-12/h3-10,12H,1-2H2,(H,23,24,25)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50336977
PNG
(CHEMBL1672627 | N-[5-(3-Fluoropyridin-4-yl)-6-pyri...)
Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1
Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50336977
PNG
(CHEMBL1672627 | N-[5-(3-Fluoropyridin-4-yl)-6-pyri...)
Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1
Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
24n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to human adenosine A2B receptor at 10 uM


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50336981
PNG
(CHEMBL1672629 | N-[5-(3,5-Difluoropyridin-4-yl)-6-...)
Show SMILES Fc1cncc(F)c1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1
Show InChI InChI=1S/C18H13F2N5O/c19-12-7-22-8-13(20)15(12)17-16(11-2-1-5-21-6-11)24-14(9-23-17)25-18(26)10-3-4-10/h1-2,5-10H,3-4H2,(H,24,25,26)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50336996
PNG
(CHEMBL1672631 | N-[6-(2-Fluorophenyl)-5-(3-fluorop...)
Show SMILES Fc1ccccc1-c1nc(NC(=O)C2CC2)cnc1-c1ccncc1F
Show InChI InChI=1S/C19H14F2N4O/c20-14-4-2-1-3-12(14)18-17(13-7-8-22-9-15(13)21)23-10-16(24-18)25-19(26)11-5-6-11/h1-4,7-11H,5-6H2,(H,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
101n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(Homo sapiens (human))
BDBM50336996
PNG
(CHEMBL1672631 | N-[6-(2-Fluorophenyl)-5-(3-fluorop...)
Show SMILES Fc1ccccc1-c1nc(NC(=O)C2CC2)cnc1-c1ccncc1F
Show InChI InChI=1S/C19H14F2N4O/c20-14-4-2-1-3-12(14)18-17(13-7-8-22-9-15(13)21)23-10-16(24-18)25-19(26)11-5-6-11/h1-4,7-11H,5-6H2,(H,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
130n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 90 mins by filtration binding assay


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50336978
PNG
(CHEMBL1672630 | N-(5-(3-chloropyridin-4-yl)-6-(pyr...)
Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1ccncc1
Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-8-5-13(14)17-16(11-3-6-20-7-4-11)23-15(10-22-17)24-18(25)12-1-2-12/h3-10,12H,1-2H2,(H,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50336978
PNG
(CHEMBL1672630 | N-(5-(3-chloropyridin-4-yl)-6-(pyr...)
Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1ccncc1
Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-8-5-13(14)17-16(11-3-6-20-7-4-11)23-15(10-22-17)24-18(25)12-1-2-12/h3-10,12H,1-2H2,(H,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
1.31E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells after 60 mins by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50336977
PNG
(CHEMBL1672627 | N-[5-(3-Fluoropyridin-4-yl)-6-pyri...)
Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1
Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
2.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50336978
PNG
(CHEMBL1672630 | N-(5-(3-chloropyridin-4-yl)-6-(pyr...)
Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1ccncc1
Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-8-5-13(14)17-16(11-3-6-20-7-4-11)23-15(10-22-17)24-18(25)12-1-2-12/h3-10,12H,1-2H2,(H,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50336978
PNG
(CHEMBL1672630 | N-(5-(3-chloropyridin-4-yl)-6-(pyr...)
Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1ccncc1
Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-8-5-13(14)17-16(11-3-6-20-7-4-11)23-15(10-22-17)24-18(25)12-1-2-12/h3-10,12H,1-2H2,(H,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50336977
PNG
(CHEMBL1672627 | N-[5-(3-Fluoropyridin-4-yl)-6-pyri...)
Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1
Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human adenosine A2B receptor expressed in HEK293 cells assessed as inhibition of NECA-induced increase of intracellular cAMP l...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50336978
PNG
(CHEMBL1672630 | N-(5-(3-chloropyridin-4-yl)-6-(pyr...)
Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1ccncc1
Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-8-5-13(14)17-16(11-3-6-20-7-4-11)23-15(10-22-17)24-18(25)12-1-2-12/h3-10,12H,1-2H2,(H,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50336981
PNG
(CHEMBL1672629 | N-[5-(3,5-Difluoropyridin-4-yl)-6-...)
Show SMILES Fc1cncc(F)c1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1
Show InChI InChI=1S/C18H13F2N5O/c19-12-7-22-8-13(20)15(12)17-16(11-2-1-5-21-6-11)24-14(9-23-17)25-18(26)10-3-4-10/h1-2,5-10H,3-4H2,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50336981
PNG
(CHEMBL1672629 | N-[5-(3,5-Difluoropyridin-4-yl)-6-...)
Show SMILES Fc1cncc(F)c1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1
Show InChI InChI=1S/C18H13F2N5O/c19-12-7-22-8-13(20)15(12)17-16(11-2-1-5-21-6-11)24-14(9-23-17)25-18(26)10-3-4-10/h1-2,5-10H,3-4H2,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50336981
PNG
(CHEMBL1672629 | N-[5-(3,5-Difluoropyridin-4-yl)-6-...)
Show SMILES Fc1cncc(F)c1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1
Show InChI InChI=1S/C18H13F2N5O/c19-12-7-22-8-13(20)15(12)17-16(11-2-1-5-21-6-11)24-14(9-23-17)25-18(26)10-3-4-10/h1-2,5-10H,3-4H2,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50336981
PNG
(CHEMBL1672629 | N-[5-(3,5-Difluoropyridin-4-yl)-6-...)
Show SMILES Fc1cncc(F)c1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1
Show InChI InChI=1S/C18H13F2N5O/c19-12-7-22-8-13(20)15(12)17-16(11-2-1-5-21-6-11)24-14(9-23-17)25-18(26)10-3-4-10/h1-2,5-10H,3-4H2,(H,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50336977
PNG
(CHEMBL1672627 | N-[5-(3-Fluoropyridin-4-yl)-6-pyri...)
Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1
Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50336977
PNG
(CHEMBL1672627 | N-[5-(3-Fluoropyridin-4-yl)-6-pyri...)
Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1
Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50336977
PNG
(CHEMBL1672627 | N-[5-(3-Fluoropyridin-4-yl)-6-pyri...)
Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1
Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes


Citation and Details
More data for this
Ligand-Target Pair
Adenosine A2b receptor


(Mus musculus)
BDBM50336977
PNG
(CHEMBL1672627 | N-[5-(3-Fluoropyridin-4-yl)-6-pyri...)
Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1
Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
n/an/a 512n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at mouse adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced increase of intracellular cAMP leve...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50336977
PNG
(CHEMBL1672627 | N-[5-(3-Fluoropyridin-4-yl)-6-pyri...)
Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1
Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-7-5-13(14)17-16(12-2-1-6-20-8-12)23-15(10-22-17)24-18(25)11-3-4-11/h1-2,5-11H,3-4H2,(H,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50336978
PNG
(CHEMBL1672630 | N-(5-(3-chloropyridin-4-yl)-6-(pyr...)
Show SMILES Fc1cnccc1-c1ncc(NC(=O)C2CC2)nc1-c1ccncc1
Show InChI InChI=1S/C18H14FN5O/c19-14-9-21-8-5-13(14)17-16(11-3-6-20-7-4-11)23-15(10-22-17)24-18(25)12-1-2-12/h3-10,12H,1-2H2,(H,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



TBA

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes


Citation and Details
More data for this
Ligand-Target Pair