BindingDB logo
myBDB logout

10 similar compounds to monomer 50199714

Compile data set for download or QSAR
Wt: 484.3
BDBM50128787
Wt: 482.3
BDBM50128789
Wt: 468.3
BDBM50128790
Wt: 498.3
BDBM50128795
Wt: 496.3
BDBM50199707
Wt: 542.3
BDBM50199717
Wt: 523.3
BDBM50199704
Wt: 525.3
BDBM50199718
Wt: 779.7
BDBM50199723
Wt: 466.6
BDBM50199713

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50128787,50128789,50128790,50128795,50199707,50199717,50199704,50199718,50199723,50199713   
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
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50199713
PNG
(CHEMBL3965237 | US9862679, Compound 7b)
Show SMILES Fc1ccc(cc1)C(SCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2S/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
4.5n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs) were removed, striatum dissected and quickly frozen. Membranes were prepared b...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50199713
PNG
(CHEMBL3965237 | US9862679, Compound 7b)
Show SMILES Fc1ccc(cc1)C(SCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2S/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35,428 from DAT in Sprague-Dawley rat brain membranes incubated for 120 mins by radioligand binding assay


J Med Chem 59: 10676-10691 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01373
BindingDB Entry DOI: 10.7270/Q2WQ05RV
More data for this
Ligand-Target Pair
Sigma-2 receptor


(Rattus norvegicus (Rat))
BDBM50199713
PNG
(CHEMBL3965237 | US9862679, Compound 7b)
Show SMILES Fc1ccc(cc1)C(SCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2S/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
28.5n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50199713
PNG
(CHEMBL3965237 | US9862679, Compound 7b)
Show SMILES Fc1ccc(cc1)C(SCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2S/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
59.5n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
The uptake assays were carried out 2 days after transfection. Prior to the experiment, the cells were washed once in 500 ul of uptake buffer (25 mM 4...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50199713
PNG
(CHEMBL3965237 | US9862679, Compound 7b)
Show SMILES Fc1ccc(cc1)C(SCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2S/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
285n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, midbrain dissected and rapidly frozen. Membran...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50199713
PNG
(CHEMBL3965237 | US9862679, Compound 7b)
Show SMILES Fc1ccc(cc1)C(SCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2S/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
285n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in Sprague-Dawley rat brain stem membranes incubated for 60 mins by radioligand binding assay


J Med Chem 59: 10676-10691 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01373
BindingDB Entry DOI: 10.7270/Q2WQ05RV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50199713
PNG
(CHEMBL3965237 | US9862679, Compound 7b)
Show SMILES Fc1ccc(cc1)C(SCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2S/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
Reactome pathway

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
1.89E+3n/an/an/an/an/an/an/an/a



THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH

US Patent


Assay Description
Brains from male Sprague-Dawley rats weighing 200-225 g (Taconic Labs, Germantown, N.Y.) were removed, frontal cortex dissected and rapidly frozen. M...


US Patent US9862679 (2018)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50128795
PNG
(4-(2-Bromo-phenyl)-6-(3,4-dihydroxy-phenyl)-5-nitr...)
Show SMILES Oc1ccc(cc1O)[C@@H]1[C@H](C(CC(=O)N1Cc1cccnc1)c1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C23H20BrN3O5/c24-18-6-2-1-5-16(18)17-11-21(30)26(13-14-4-3-9-25-12-14)22(23(17)27(31)32)15-7-8-19(28)20(29)10-15/h1-10,12,17,22-23,28-29H,11,13H2/t17?,22-,23+/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras


J Med Chem 46: 2467-73 (2003)


Article DOI: 10.1021/jm020522k
BindingDB Entry DOI: 10.7270/Q2RN3775
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50128789
PNG
(4-(2-Bromo-phenyl)-6-(4-hydroxy-phenyl)-5-nitro-1-...)
Show SMILES Oc1ccc(cc1)[C@@H]1[C@H](C(CC(=O)N1Cc1cccnc1)c1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C23H20BrN3O4/c24-20-6-2-1-5-18(20)19-12-21(29)26(14-15-4-3-11-25-13-15)22(23(19)27(30)31)16-7-9-17(28)10-8-16/h1-11,13,19,22-23,28H,12,14H2/t19?,22-,23+/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 950n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras


J Med Chem 46: 2467-73 (2003)


Article DOI: 10.1021/jm020522k
BindingDB Entry DOI: 10.7270/Q2RN3775
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50128790
PNG
(4-[4-(2-Bromo-phenyl)-3-nitro-1-pyridin-3-ylmethyl...)
Show SMILES Oc1ccc(cc1)[C@@H]1[C@H](C(CCN1Cc1cccnc1)c1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C23H22BrN3O3/c24-21-6-2-1-5-19(21)20-11-13-26(15-16-4-3-12-25-14-16)22(23(20)27(29)30)17-7-9-18(28)10-8-17/h1-10,12,14,20,22-23,28H,11,13,15H2/t20?,22-,23+/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>310n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras


J Med Chem 46: 2467-73 (2003)


Article DOI: 10.1021/jm020522k
BindingDB Entry DOI: 10.7270/Q2RN3775
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50128787
PNG
(4-[4-(2-Bromo-phenyl)-3-nitro-1-pyridin-3-ylmethyl...)
Show SMILES Oc1ccc(cc1O)[C@@H]1[C@H](C(CCN1Cc1cccnc1)c1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C23H22BrN3O4/c24-19-6-2-1-5-17(19)18-9-11-26(14-15-4-3-10-25-13-15)22(23(18)27(30)31)16-7-8-20(28)21(29)12-16/h1-8,10,12-13,18,22-23,28-29H,9,11,14H2/t18?,22-,23+/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>310n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras


J Med Chem 46: 2467-73 (2003)


Article DOI: 10.1021/jm020522k
BindingDB Entry DOI: 10.7270/Q2RN3775
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50199704
PNG
(CHEMBL3925776)
Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C25H20Cl2N6O3/c1-2-33-24(35)21(30-25(36)31-22-18(26)12-29-13-19(22)27)11-20(32-33)17-5-3-4-16(10-17)14-6-8-15(9-7-14)23(28)34/h3-13H,2H2,1H3,(H2,28,34)(H2,29,30,31,36)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.110n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B1 assessed as reduction in [3H]cAMP hydrolysis to [3H]AMP incubated for 60 mins by PDE-SPA assay


J Med Chem 59: 10479-10497 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00829
BindingDB Entry DOI: 10.7270/Q21G0P75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50199707
PNG
(CHEMBL3889823)
Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1ccc(O)cc1
Show InChI InChI=1S/C24H19Cl2N5O3/c1-2-31-23(33)21(28-24(34)29-22-18(25)12-27-13-19(22)26)11-20(30-31)16-5-3-4-15(10-16)14-6-8-17(32)9-7-14/h3-13,32H,2H2,1H3,(H2,27,28,29,34)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0600n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B1 assessed as reduction in [3H]cAMP hydrolysis to [3H]AMP incubated for 60 mins by PDE-SPA assay


J Med Chem 59: 10479-10497 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00829
BindingDB Entry DOI: 10.7270/Q21G0P75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50199717
PNG
(CHEMBL3909436)
Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1ccc(F)c(c1)C(O)=O
Show InChI InChI=1S/C25H18Cl2FN5O4/c1-2-33-23(34)21(30-25(37)31-22-17(26)11-29-12-18(22)27)10-20(32-33)15-5-3-4-13(8-15)14-6-7-19(28)16(9-14)24(35)36/h3-12H,2H2,1H3,(H,35,36)(H2,29,30,31,37)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.160n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B1 assessed as reduction in [3H]cAMP hydrolysis to [3H]AMP incubated for 60 mins by PDE-SPA assay


J Med Chem 59: 10479-10497 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00829
BindingDB Entry DOI: 10.7270/Q21G0P75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50199718
PNG
(CHEMBL3935796)
Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cncc(c1)C(O)=O
Show InChI InChI=1S/C24H18Cl2N6O4/c1-2-32-22(33)20(29-24(36)30-21-17(25)11-28-12-18(21)26)8-19(31-32)14-5-3-4-13(6-14)15-7-16(23(34)35)10-27-9-15/h3-12H,2H2,1H3,(H,34,35)(H2,28,29,30,36)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.140n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B1 assessed as reduction in [3H]cAMP hydrolysis to [3H]AMP incubated for 60 mins by PDE-SPA assay


J Med Chem 59: 10479-10497 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00829
BindingDB Entry DOI: 10.7270/Q21G0P75
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50199723
PNG
(CHEMBL3984510)
Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cc(cc(c1)C(=O)NC1CCN(Cc2ccccc2)CC1)C(=O)NC1CC1
Show InChI InChI=1S/C41H40Cl2N8O4/c1-2-51-40(54)36(47-41(55)48-37-33(42)22-44-23-34(37)43)21-35(49-51)27-10-6-9-26(17-27)28-18-29(38(52)45-31-11-12-31)20-30(19-28)39(53)46-32-13-15-50(16-14-32)24-25-7-4-3-5-8-25/h3-10,17-23,31-32H,2,11-16,24H2,1H3,(H,45,52)(H,46,53)(H2,44,47,48,55)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2b receptor (unknown origin)


J Med Chem 59: 10479-10497 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00829
BindingDB Entry DOI: 10.7270/Q21G0P75
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50199723
PNG
(CHEMBL3984510)
Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cc(cc(c1)C(=O)NC1CCN(Cc2ccccc2)CC1)C(=O)NC1CC1
Show InChI InChI=1S/C41H40Cl2N8O4/c1-2-51-40(54)36(47-41(55)48-37-33(42)22-44-23-34(37)43)21-35(49-51)27-10-6-9-26(17-27)28-18-29(38(52)45-31-11-12-31)20-30(19-28)39(53)46-32-13-15-50(16-14-32)24-25-7-4-3-5-8-25/h3-10,17-23,31-32H,2,11-16,24H2,1H3,(H,45,52)(H,46,53)(H2,44,47,48,55)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2a receptor (unknown origin)


J Med Chem 59: 10479-10497 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00829
BindingDB Entry DOI: 10.7270/Q21G0P75
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50199723
PNG
(CHEMBL3984510)
Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cc(cc(c1)C(=O)NC1CCN(Cc2ccccc2)CC1)C(=O)NC1CC1
Show InChI InChI=1S/C41H40Cl2N8O4/c1-2-51-40(54)36(47-41(55)48-37-33(42)22-44-23-34(37)43)21-35(49-51)27-10-6-9-26(17-27)28-18-29(38(52)45-31-11-12-31)20-30(19-28)39(53)46-32-13-15-50(16-14-32)24-25-7-4-3-5-8-25/h3-10,17-23,31-32H,2,11-16,24H2,1H3,(H,45,52)(H,46,53)(H2,44,47,48,55)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor (unknown origin)


J Med Chem 59: 10479-10497 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00829
BindingDB Entry DOI: 10.7270/Q21G0P75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50199723
PNG
(CHEMBL3984510)
Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cc(cc(c1)C(=O)NC1CCN(Cc2ccccc2)CC1)C(=O)NC1CC1
Show InChI InChI=1S/C41H40Cl2N8O4/c1-2-51-40(54)36(47-41(55)48-37-33(42)22-44-23-34(37)43)21-35(49-51)27-10-6-9-26(17-27)28-18-29(38(52)45-31-11-12-31)20-30(19-28)39(53)46-32-13-15-50(16-14-32)24-25-7-4-3-5-8-25/h3-10,17-23,31-32H,2,11-16,24H2,1H3,(H,45,52)(H,46,53)(H2,44,47,48,55)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.220n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B1 assessed as reduction in [3H]cAMP hydrolysis to [3H]AMP incubated for 60 mins by PDE-SPA assay


J Med Chem 59: 10479-10497 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00829
BindingDB Entry DOI: 10.7270/Q21G0P75
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50128789
PNG
(4-(2-Bromo-phenyl)-6-(4-hydroxy-phenyl)-5-nitro-1-...)
Show SMILES Oc1ccc(cc1)[C@@H]1[C@H](C(CC(=O)N1Cc1cccnc1)c1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C23H20BrN3O4/c24-20-6-2-1-5-18(20)19-12-21(29)26(14-15-4-3-11-25-13-15)22(23(19)27(30)31)16-7-9-17(28)10-8-16/h1-11,13,19,22-23,28H,12,14H2/t19?,22-,23+/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 75n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras


J Med Chem 46: 2467-73 (2003)


Article DOI: 10.1021/jm020522k
BindingDB Entry DOI: 10.7270/Q2RN3775
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50128795
PNG
(4-(2-Bromo-phenyl)-6-(3,4-dihydroxy-phenyl)-5-nitr...)
Show SMILES Oc1ccc(cc1O)[C@@H]1[C@H](C(CC(=O)N1Cc1cccnc1)c1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C23H20BrN3O5/c24-18-6-2-1-5-16(18)17-11-21(30)26(13-14-4-3-9-25-12-14)22(23(17)27(31)32)15-7-8-19(28)20(29)10-15/h1-10,12,17,22-23,28-29H,11,13H2/t17?,22-,23+/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras


J Med Chem 46: 2467-73 (2003)


Article DOI: 10.1021/jm020522k
BindingDB Entry DOI: 10.7270/Q2RN3775
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50128790
PNG
(4-[4-(2-Bromo-phenyl)-3-nitro-1-pyridin-3-ylmethyl...)
Show SMILES Oc1ccc(cc1)[C@@H]1[C@H](C(CCN1Cc1cccnc1)c1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C23H22BrN3O3/c24-21-6-2-1-5-19(21)20-11-13-26(15-16-4-3-12-25-14-16)22(23(20)27(29)30)17-7-9-18(28)10-8-17/h1-10,12,14,20,22-23,28H,11,13,15H2/t20?,22-,23+/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.20n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras


J Med Chem 46: 2467-73 (2003)


Article DOI: 10.1021/jm020522k
BindingDB Entry DOI: 10.7270/Q2RN3775
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50128795
PNG
(4-(2-Bromo-phenyl)-6-(3,4-dihydroxy-phenyl)-5-nitr...)
Show SMILES Oc1ccc(cc1O)[C@@H]1[C@H](C(CC(=O)N1Cc1cccnc1)c1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C23H20BrN3O5/c24-18-6-2-1-5-16(18)17-11-21(30)26(13-14-4-3-9-25-12-14)22(23(17)27(31)32)15-7-8-19(28)20(29)10-15/h1-10,12,17,22-23,28-29H,11,13H2/t17?,22-,23+/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras


J Med Chem 46: 2467-73 (2003)


Article DOI: 10.1021/jm020522k
BindingDB Entry DOI: 10.7270/Q2RN3775
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50128790
PNG
(4-[4-(2-Bromo-phenyl)-3-nitro-1-pyridin-3-ylmethyl...)
Show SMILES Oc1ccc(cc1)[C@@H]1[C@H](C(CCN1Cc1cccnc1)c1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C23H22BrN3O3/c24-21-6-2-1-5-19(21)20-11-13-26(15-16-4-3-12-25-14-16)22(23(20)27(29)30)17-7-9-18(28)10-8-17/h1-10,12,14,20,22-23,28H,11,13,15H2/t20?,22-,23+/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.80n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras


J Med Chem 46: 2467-73 (2003)


Article DOI: 10.1021/jm020522k
BindingDB Entry DOI: 10.7270/Q2RN3775
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50128789
PNG
(4-(2-Bromo-phenyl)-6-(4-hydroxy-phenyl)-5-nitro-1-...)
Show SMILES Oc1ccc(cc1)[C@@H]1[C@H](C(CC(=O)N1Cc1cccnc1)c1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C23H20BrN3O4/c24-20-6-2-1-5-18(20)19-12-21(29)26(14-15-4-3-11-25-13-15)22(23(19)27(30)31)16-7-9-17(28)10-8-16/h1-11,13,19,22-23,28H,12,14H2/t19?,22-,23+/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras


J Med Chem 46: 2467-73 (2003)


Article DOI: 10.1021/jm020522k
BindingDB Entry DOI: 10.7270/Q2RN3775
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50128787
PNG
(4-[4-(2-Bromo-phenyl)-3-nitro-1-pyridin-3-ylmethyl...)
Show SMILES Oc1ccc(cc1O)[C@@H]1[C@H](C(CCN1Cc1cccnc1)c1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C23H22BrN3O4/c24-19-6-2-1-5-17(19)18-9-11-26(14-15-4-3-10-25-13-15)22(23(18)27(30)31)16-7-8-20(28)21(29)12-16/h1-8,10,12-13,18,22-23,28-29H,9,11,14H2/t18?,22-,23+/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras


J Med Chem 46: 2467-73 (2003)


Article DOI: 10.1021/jm020522k
BindingDB Entry DOI: 10.7270/Q2RN3775
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50128787
PNG
(4-[4-(2-Bromo-phenyl)-3-nitro-1-pyridin-3-ylmethyl...)
Show SMILES Oc1ccc(cc1O)[C@@H]1[C@H](C(CCN1Cc1cccnc1)c1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C23H22BrN3O4/c24-19-6-2-1-5-17(19)18-9-11-26(14-15-4-3-10-25-13-15)22(23(18)27(30)31)16-7-8-20(28)21(29)12-16/h1-8,10,12-13,18,22-23,28-29H,9,11,14H2/t18?,22-,23+/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of bovine brain farnesyltransferase (FTase) farnesylation of viral K-Ras


J Med Chem 46: 2467-73 (2003)


Article DOI: 10.1021/jm020522k
BindingDB Entry DOI: 10.7270/Q2RN3775
More data for this
Ligand-Target Pair