BindingDB logo
myBDB logout

PubMed code 24871036

Compile data set for download or QSAR
Found 13 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Homo sapiens (human))
BDBM50019516
PNG
(CHEMBL3291063)
Show SMILES Cn1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2n[nH]c3ccc(F)cc23)c1Cl
Show InChI InChI=1S/C19H20ClFN6O/c1-26-17(20)15(9-22-26)19(28)27-12-3-4-13(27)8-11(7-12)23-18-14-6-10(21)2-5-16(14)24-25-18/h2,5-6,9,11-13H,3-4,7-8H2,1H3,(H2,23,24,25)/t11-,12+,13-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of adenosine A1 receptor (unknown origin)


J Med Chem 57: 5419-34 (2014)


Article DOI: 10.1021/jm5005978
BindingDB Entry DOI: 10.7270/Q25Q4XNM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50019514
PNG
(CHEMBL3290772)
Show SMILES Cn1ncc(C(=O)N2CCC(CC2)Nc2cc(=O)n(C)c3ccccc23)c1Cl
Show InChI InChI=1S/C20H22ClN5O2/c1-24-17-6-4-3-5-14(17)16(11-18(24)27)23-13-7-9-26(10-8-13)20(28)15-12-22-25(2)19(15)21/h3-6,11-13,23H,7-10H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of adenosine A1 receptor (unknown origin)


J Med Chem 57: 5419-34 (2014)


Article DOI: 10.1021/jm5005978
BindingDB Entry DOI: 10.7270/Q25Q4XNM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50019515
PNG
(CHEMBL3291062)
Show SMILES Cc1onc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2cc(=O)n(C)c3cc(F)c(F)cc23)c1C
Show InChI InChI=1S/C23H24F2N4O3/c1-11-12(2)32-27-22(11)23(31)29-14-4-5-15(29)7-13(6-14)26-19-10-21(30)28(3)20-9-18(25)17(24)8-16(19)20/h8-10,13-15,26H,4-7H2,1-3H3/t13-,14+,15-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of adenosine A1 receptor (unknown origin)


J Med Chem 57: 5419-34 (2014)


Article DOI: 10.1021/jm5005978
BindingDB Entry DOI: 10.7270/Q25Q4XNM
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50019519
PNG
(CHEMBL3291056)
Show SMILES Cc1onc(C(=O)N2CCC(CC2)Nc2cc(=O)n(C)c3cc(F)c(F)cc23)c1C
Show InChI InChI=1S/C21H22F2N4O3/c1-11-12(2)30-25-20(11)21(29)27-6-4-13(5-7-27)24-17-10-19(28)26(3)18-9-16(23)15(22)8-14(17)18/h8-10,13,24H,4-7H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of adenosine A1 receptor (unknown origin)


J Med Chem 57: 5419-34 (2014)


Article DOI: 10.1021/jm5005978
BindingDB Entry DOI: 10.7270/Q25Q4XNM
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50019515
PNG
(CHEMBL3291062)
Show SMILES Cc1onc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2cc(=O)n(C)c3cc(F)c(F)cc23)c1C
Show InChI InChI=1S/C23H24F2N4O3/c1-11-12(2)32-27-22(11)23(31)29-14-4-5-15(29)7-13(6-14)26-19-10-21(30)28(3)20-9-18(25)17(24)8-16(19)20/h8-10,13-15,26H,4-7H2,1-3H3/t13-,14+,15-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by medium-throughput electrophysiology


J Med Chem 57: 5419-34 (2014)


Article DOI: 10.1021/jm5005978
BindingDB Entry DOI: 10.7270/Q25Q4XNM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50019511
PNG
(CHEMBL3290766)
Show SMILES Cn1ncc(C(=O)N2CCC(CC2)Nc2cc(=O)[nH]c3ccccc23)c1Cl
Show InChI InChI=1S/C19H20ClN5O2/c1-24-18(20)14(11-21-24)19(27)25-8-6-12(7-9-25)22-16-10-17(26)23-15-5-3-2-4-13(15)16/h2-5,10-12H,6-9H2,1H3,(H2,22,23,26)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.19E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor (unknown origin)


J Med Chem 57: 5419-34 (2014)


Article DOI: 10.1021/jm5005978
BindingDB Entry DOI: 10.7270/Q25Q4XNM
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50019514
PNG
(CHEMBL3290772)
Show SMILES Cn1ncc(C(=O)N2CCC(CC2)Nc2cc(=O)n(C)c3ccccc23)c1Cl
Show InChI InChI=1S/C20H22ClN5O2/c1-24-17-6-4-3-5-14(17)16(11-18(24)27)23-13-7-9-26(10-8-13)20(28)15-12-22-25(2)19(15)21/h3-6,11-13,23H,7-10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by medium-throughput electrophysiology


J Med Chem 57: 5419-34 (2014)


Article DOI: 10.1021/jm5005978
BindingDB Entry DOI: 10.7270/Q25Q4XNM
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50019516
PNG
(CHEMBL3291063)
Show SMILES Cn1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2n[nH]c3ccc(F)cc23)c1Cl
Show InChI InChI=1S/C19H20ClFN6O/c1-26-17(20)15(9-22-26)19(28)27-12-3-4-13(27)8-11(7-12)23-18-14-6-10(21)2-5-16(14)24-25-18/h2,5-6,9,11-13H,3-4,7-8H2,1H3,(H2,23,24,25)/t11-,12+,13-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by medium-throughput electrophysiology


J Med Chem 57: 5419-34 (2014)


Article DOI: 10.1021/jm5005978
BindingDB Entry DOI: 10.7270/Q25Q4XNM
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50019517
PNG
(CHEMBL3291065)
Show SMILES Cn1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2cc(=O)n(C)c3ncccc23)c1Cl
Show InChI InChI=1S/C21H23ClN6O2/c1-26-18(29)10-17(15-4-3-7-23-20(15)26)25-12-8-13-5-6-14(9-12)28(13)21(30)16-11-24-27(2)19(16)22/h3-4,7,10-14,25H,5-6,8-9H2,1-2H3/t12-,13+,14-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by medium-throughput electrophysiology


J Med Chem 57: 5419-34 (2014)


Article DOI: 10.1021/jm5005978
BindingDB Entry DOI: 10.7270/Q25Q4XNM
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50019518
PNG
(CHEMBL3291066)
Show SMILES Cc1onc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](C3)Nc2cc(=O)n(C)c3nccnc23)c1C
Show InChI InChI=1S/C21H24N6O3/c1-11-12(2)30-25-18(11)21(29)27-14-4-5-15(27)9-13(8-14)24-16-10-17(28)26(3)20-19(16)22-6-7-23-20/h6-7,10,13-15,24H,4-5,8-9H2,1-3H3/t13-,14+,15-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by medium-throughput electrophysiology


J Med Chem 57: 5419-34 (2014)


Article DOI: 10.1021/jm5005978
BindingDB Entry DOI: 10.7270/Q25Q4XNM
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50019512
PNG
(CHEMBL3290767)
Show SMILES Cn1ncc(C(=O)N2CCC(CC2)Nc2cc(=O)[nH]c3ccc(F)cc23)c1Cl
Show InChI InChI=1S/C19H19ClFN5O2/c1-25-18(20)14(10-22-25)19(28)26-6-4-12(5-7-26)23-16-9-17(27)24-15-3-2-11(21)8-13(15)16/h2-3,8-10,12H,4-7H2,1H3,(H2,23,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by medium-throughput electrophysiology


J Med Chem 57: 5419-34 (2014)


Article DOI: 10.1021/jm5005978
BindingDB Entry DOI: 10.7270/Q25Q4XNM
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50019513
PNG
(CHEMBL3290768)
Show SMILES Cn1ncc(C(=O)N2CCC(CC2)Nc2cc(=O)[nH]c3cc(F)c(F)cc23)c1Cl
Show InChI InChI=1S/C19H18ClF2N5O2/c1-26-18(20)12(9-23-26)19(29)27-4-2-10(3-5-27)24-16-8-17(28)25-15-7-14(22)13(21)6-11(15)16/h6-10H,2-5H2,1H3,(H2,24,25,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by medium-throughput electrophysiology


J Med Chem 57: 5419-34 (2014)


Article DOI: 10.1021/jm5005978
BindingDB Entry DOI: 10.7270/Q25Q4XNM
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50019511
PNG
(CHEMBL3290766)
Show SMILES Cn1ncc(C(=O)N2CCC(CC2)Nc2cc(=O)[nH]c3ccccc23)c1Cl
Show InChI InChI=1S/C19H20ClN5O2/c1-24-18(20)14(11-21-24)19(27)25-8-6-12(7-9-25)22-16-10-17(26)23-15-5-3-2-4-13(15)16/h2-5,10-12H,6-9H2,1H3,(H2,22,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by medium-throughput electrophysiology


J Med Chem 57: 5419-34 (2014)


Article DOI: 10.1021/jm5005978
BindingDB Entry DOI: 10.7270/Q25Q4XNM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%