BindingDB logo
myBDB logout

11 similar compounds to monomer 50201006

Compile data set for download or QSAR
Wt: 273.1
BDBM50001103
Purchase
Wt: 379.8
BDBM50038607
Wt: 370.4
BDBM50038608
Wt: 289.3
BDBM50098998
Wt: 426.5
BDBM50129560
Wt: 400.4
BDBM50201007
Wt: 339.3
BDBM50201008
Wt: 339.3
BDBM50201009
Wt: 394.4
BDBM50207269

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50001103,50038607,50038608,50098998,50129560,50201007,50201008,50201009,50207269   
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
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50201009
PNG
(CHEMBL3971217 | US10138212, Example 14)
Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(CO)n1
Show InChI InChI=1S/C17H17N5O3/c1-25-13-7-3-6-12-14(13)21-17(18)22-15(12)16(24)19-8-10-4-2-5-11(9-23)20-10/h2-7,23H,8-9H2,1H3,(H,19,24)(H2,18,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
4.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding affinities of compounds of the invention for the human A2a receptor were determined in a competition binding assay using Scintillation Proxim...


US Patent US10138212 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50201009
PNG
(CHEMBL3971217 | US10138212, Example 14)
Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(CO)n1
Show InChI InChI=1S/C17H17N5O3/c1-25-13-7-3-6-12-14(13)21-17(18)22-15(12)16(24)19-8-10-4-2-5-11(9-23)20-10/h2-7,23H,8-9H2,1H3,(H,19,24)(H2,18,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.60n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]5-amino-7-[2- phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][l,2,4]triazolo[l,5-c]pyrimidine from human adenosine A2A receptor expr...


ACS Med Chem Lett 7: 1014-1015 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00407
BindingDB Entry DOI: 10.7270/Q2H9976C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50201007
PNG
(CHEMBL3939976 | US10138212, Example 104)
Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(Cc2cccnc2)n1
Show InChI InChI=1S/C22H20N6O2/c1-30-18-9-3-8-17-19(18)27-22(23)28-20(17)21(29)25-13-16-7-2-6-15(26-16)11-14-5-4-10-24-12-14/h2-10,12H,11,13H2,1H3,(H,25,29)(H2,23,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

US Patent
5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding affinities of compounds of the invention for the human A2a receptor were determined in a competition binding assay using Scintillation Proxim...


US Patent US10138212 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50201007
PNG
(CHEMBL3939976 | US10138212, Example 104)
Show SMILES COc1cccc2c(nc(N)nc12)C(=O)NCc1cccc(Cc2cccnc2)n1
Show InChI InChI=1S/C22H20N6O2/c1-30-18-9-3-8-17-19(18)27-22(23)28-20(17)21(29)25-13-16-7-2-6-15(26-16)11-14-5-4-10-24-12-14/h2-10,12H,11,13H2,1H3,(H,25,29)(H2,23,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]5-amino-7-[2- phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][l,2,4]triazolo[l,5-c]pyrimidine from human adenosine A2A receptor expr...


ACS Med Chem Lett 7: 1014-1015 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00407
BindingDB Entry DOI: 10.7270/Q2H9976C
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50201008
PNG
(CHEMBL3892905 | US10138212, Example 22)
Show SMILES COc1ccc(CNC(=O)c2nc(N)nc3c(OC)cccc23)nc1
Show InChI InChI=1S/C17H17N5O3/c1-24-11-7-6-10(19-9-11)8-20-16(23)15-12-4-3-5-13(25-2)14(12)21-17(18)22-15/h3-7,9H,8H2,1-2H3,(H,20,23)(H2,18,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
7.80n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding affinities of compounds of the invention for the human A2a receptor were determined in a competition binding assay using Scintillation Proxim...


US Patent US10138212 (2018)

More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50201008
PNG
(CHEMBL3892905 | US10138212, Example 22)
Show SMILES COc1ccc(CNC(=O)c2nc(N)nc3c(OC)cccc23)nc1
Show InChI InChI=1S/C17H17N5O3/c1-24-11-7-6-10(19-9-11)8-20-16(23)15-12-4-3-5-13(25-2)14(12)21-17(18)22-15/h3-7,9H,8H2,1-2H3,(H,20,23)(H2,18,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.80n/an/an/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]5-amino-7-[2- phenethyl]-2-(furan-2-yl)-7H-pyrazolo[4,3-e][l,2,4]triazolo[l,5-c]pyrimidine from human adenosine A2A receptor expr...


ACS Med Chem Lett 7: 1014-1015 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00407
BindingDB Entry DOI: 10.7270/Q2H9976C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50207269
PNG
(CHEMBL3907434)
Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C26H18O2S/c1-28-19-15-13-18(14-16-19)26-24(22-10-4-5-12-23(22)29-26)25(27)21-11-6-8-17-7-2-3-9-20(17)21/h2-16H,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
300n/an/an/an/an/an/an/an/a



Pontificia Universidad Cat£lica de Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes incubated for 1.5 hrs


Eur J Med Chem 124: 17-35 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.005
BindingDB Entry DOI: 10.7270/Q2Q2426V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50207269
PNG
(CHEMBL3907434)
Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C26H18O2S/c1-28-19-15-13-18(14-16-19)26-24(22-10-4-5-12-23(22)29-26)25(27)21-11-6-8-17-7-2-3-9-20(17)21/h2-16H,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.10E+3n/an/an/an/an/an/an/an/a



Pontificia Universidad Cat£lica de Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cell membranes incubated for 1.5 hrs


Eur J Med Chem 124: 17-35 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.005
BindingDB Entry DOI: 10.7270/Q2Q2426V
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50001103
PNG
((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...)
Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
>8.00E+5n/an/an/an/an/an/an/an/a



Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity against adenosine deaminase


J Med Chem 44: 3710-20 (2001)


Article DOI: 10.1021/jm010216r
BindingDB Entry DOI: 10.7270/Q2G44R0Z
More data for this
Ligand-Target Pair
Phosphoribosyl pyrophosphate synthetase-associated protein 2


(Homo sapiens (Human))
BDBM50001103
PNG
((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...)
Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
3.00E+6n/an/an/an/an/an/an/an/a



Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity against PRPP synthetase


J Med Chem 44: 3710-20 (2001)


Article DOI: 10.1021/jm010216r
BindingDB Entry DOI: 10.7270/Q2G44R0Z
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50001103
PNG
((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...)
Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

US Patent
n/an/an/an/a 5.50E+4n/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Subconfluent human lung fibroblast cells (MRC-5, American Type Culture Collection, Rockville, Md.) in 24-well plates were treated with drugs diluted ...


US Patent US10071110 (2018)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM50001103
PNG
((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...)
Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

US Patent
n/an/an/an/a 1.60E+4n/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Preliminary experiments in the inhibition of HIV-1 replication by invention compounds were performed as follows. Drug assays were carried out as prev...


US Patent US10071110 (2018)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50001103
PNG
((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...)
Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

US Patent
n/an/an/an/a 5.50E+4n/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Antiviral assays for HCMV DNA were carried out by DNA hybridization as reported by Dankner, W. M., Scholl, D., Stanat, S. C., Martin, M., Souke, R. L...


US Patent US10071110 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50207269
PNG
(CHEMBL3907434)
Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C26H18O2S/c1-28-19-15-13-18(14-16-19)26-24(22-10-4-5-12-23(22)29-26)25(27)21-11-6-8-17-7-2-3-9-20(17)21/h2-16H,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Pontificia Universidad Cat£lica de Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes incubated for 1.5 hrs


Eur J Med Chem 124: 17-35 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.005
BindingDB Entry DOI: 10.7270/Q2Q2426V
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50207269
PNG
(CHEMBL3907434)
Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C26H18O2S/c1-28-19-15-13-18(14-16-19)26-24(22-10-4-5-12-23(22)29-26)25(27)21-11-6-8-17-7-2-3-9-20(17)21/h2-16H,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.40E+3n/an/an/an/an/an/a



Pontificia Universidad Cat£lica de Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cell membranes incubated for 1.5 hrs


Eur J Med Chem 124: 17-35 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.005
BindingDB Entry DOI: 10.7270/Q2Q2426V
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase I


(Homo sapiens (Human))
BDBM50001103
PNG
((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...)
Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
n/an/a 3.20E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli Pyrophosphate Synthetase (PRPP)


Bioorg Med Chem Lett 2: 1483-1488 (1992)


Article DOI: 10.1016/S0960-894X(00)80413-8
BindingDB Entry DOI: 10.7270/Q2SN09FV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50129560
PNG
(CHEMBL3628216)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc2ccc(cn12)-c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C21H18N2O4S2/c1-28(24,25)18-9-6-15(7-10-18)20-13-22-21-11-8-17(14-23(20)21)16-4-3-5-19(12-16)29(2,26)27/h3-14H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of human ERG potassium channel by ionworks patch-clamp electrophysiology assay


J Med Chem 58: 8713-22 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01605
BindingDB Entry DOI: 10.7270/Q24F1SJD
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50098998
PNG
(CHEMBL3330051)
Show SMILES Cc1ccccc1C[C@@H](N)CC(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C16H20FN3O/c1-11-4-2-3-5-12(11)6-14(19)8-16(21)20-10-13(17)7-15(20)9-18/h2-5,13-15H,6-8,10,19H2,1H3/t13-,14+,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 710n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of DPP8 (unknown origin) expressed in baculovirus expression system using Ala-Pro-AMC as substrate by continuous fluorometric assay


Eur J Med Chem 86: 242-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.059
BindingDB Entry DOI: 10.7270/Q2N58P3W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50098998
PNG
(CHEMBL3330051)
Show SMILES Cc1ccccc1C[C@@H](N)CC(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C16H20FN3O/c1-11-4-2-3-5-12(11)6-14(19)8-16(21)20-10-13(17)7-15(20)9-18/h2-5,13-15H,6-8,10,19H2,1H3/t13-,14+,15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 expressed in baculovirus expression system using Ala-Pro-AMC as substrate by continuous fluorometric assay


Eur J Med Chem 86: 242-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.059
BindingDB Entry DOI: 10.7270/Q2N58P3W
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50098998
PNG
(CHEMBL3330051)
Show SMILES Cc1ccccc1C[C@@H](N)CC(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C16H20FN3O/c1-11-4-2-3-5-12(11)6-14(19)8-16(21)20-10-13(17)7-15(20)9-18/h2-5,13-15H,6-8,10,19H2,1H3/t13-,14+,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.09E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of FAP (unknown origin) expressed in baculovirus expression system using Nle-Pro-AMC as substrate by continuous fluorometric assay


Eur J Med Chem 86: 242-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.059
BindingDB Entry DOI: 10.7270/Q2N58P3W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50098998
PNG
(CHEMBL3330051)
Show SMILES Cc1ccccc1C[C@@H](N)CC(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C16H20FN3O/c1-11-4-2-3-5-12(11)6-14(19)8-16(21)20-10-13(17)7-15(20)9-18/h2-5,13-15H,6-8,10,19H2,1H3/t13-,14+,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

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



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of DPP9 (unknown origin) expressed in baculovirus expression system using Ala-Pro-AMC as substrate by continuous fluorometric assay


Eur J Med Chem 86: 242-56 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.059
BindingDB Entry DOI: 10.7270/Q2N58P3W
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50038608
PNG
(CHEMBL3354865)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1cccc(c1)C#N)-c1cccnc1
Show InChI InChI=1S/C22H14N2O2S/c23-13-15-5-3-8-18(11-15)27(26)22-19-9-2-1-6-16(19)12-20(21(22)25)17-7-4-10-24-14-17/h1-12,14,25H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.55E+3n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis


Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50038607
PNG
(CHEMBL3354843)
Show SMILES CC(=O)Nc1cc(Nc2ncccc2-c2ncnc3[nH]cnc23)ccc1Cl
Show InChI InChI=1S/C18H14ClN7O/c1-10(27)25-14-7-11(4-5-13(14)19)26-17-12(3-2-6-20-17)15-16-18(23-8-21-15)24-9-22-16/h2-9H,1H3,(H,20,26)(H,25,27)(H,21,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.43E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged full length B-Raf V600E mutant (unknown origin) using His6-tagged full-length human MEK1 (K97R) substrate and [33P]-ga...


Eur J Med Chem 89: 581-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.039
BindingDB Entry DOI: 10.7270/Q21N82R6
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50038608
PNG
(CHEMBL3354865)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1cccc(c1)C#N)-c1cccnc1
Show InChI InChI=1S/C22H14N2O2S/c23-13-15-5-3-8-18(11-15)27(26)22-19-9-2-1-6-16(19)12-20(21(22)25)17-7-4-10-24-14-17/h1-12,14,25H
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis


Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair