BindingDB logo
myBDB logout

5 similar compounds to monomer 50367658

Compile data set for download or QSAR
Wt: 395.4
BDBM50020239
Wt: 379.4
BDBM50020246
Wt: 513.4
BDBM50020257

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50020239,50020246,50020257   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50020239
PNG
(CHEMBL3288525 | US9914707, I-3)
Show SMILES Nc1nccc2scc(-c3ccc4c(cccc4c3)C(=O)Nc3ccccc3)c12
Show InChI InChI=1S/C24H17N3OS/c25-23-22-20(14-29-21(22)11-12-26-23)16-9-10-18-15(13-16)5-4-8-19(18)24(28)27-17-6-2-1-3-7-17/h1-14H,(H2,25,26)(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.10n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 (unknown origin) expressed in baculovirus expression system using poly (4 Glu, Tyr) as substrate after 60 mins by ELISA


ACS Med Chem Lett 5: 592-7 (2014)


Article DOI: 10.1021/ml5000417
BindingDB Entry DOI: 10.7270/Q2TB18GG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50020246
PNG
(CHEMBL3288521 | US9914707, I-25)
Show SMILES Nc1n[nH]c2cccc(-c3ccc4c(cccc4c3)C(=O)Nc3cccnc3)c12
Show InChI InChI=1S/C23H17N5O/c24-22-21-18(6-2-8-20(21)27-28-22)15-9-10-17-14(12-15)4-1-7-19(17)23(29)26-16-5-3-11-25-13-16/h1-13H,(H,26,29)(H3,24,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 (unknown origin) expressed in baculovirus expression system using poly (4 Glu, Tyr) as substrate after 60 mins by ELISA


ACS Med Chem Lett 5: 592-7 (2014)


Article DOI: 10.1021/ml5000417
BindingDB Entry DOI: 10.7270/Q2TB18GG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50020239
PNG
(CHEMBL3288525 | US9914707, I-3)
Show SMILES Nc1nccc2scc(-c3ccc4c(cccc4c3)C(=O)Nc3ccccc3)c12
Show InChI InChI=1S/C24H17N3OS/c25-23-22-20(14-29-21(22)11-12-26-23)16-9-10-18-15(13-16)5-4-8-19(18)24(28)27-17-6-2-1-3-7-17/h1-14H,(H2,25,26)(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of VEGFR-2 in HUVEC assessed as inhibition of VEGF (1 to 165)-induced cell proliferation preincubated for 2 hrs followed by VEGF (1 to 165...


ACS Med Chem Lett 5: 592-7 (2014)


Article DOI: 10.1021/ml5000417
BindingDB Entry DOI: 10.7270/Q2TB18GG
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50020246
PNG
(CHEMBL3288521 | US9914707, I-25)
Show SMILES Nc1n[nH]c2cccc(-c3ccc4c(cccc4c3)C(=O)Nc3cccnc3)c12
Show InChI InChI=1S/C23H17N5O/c24-22-21-18(6-2-8-20(21)27-28-22)15-9-10-17-14(12-15)4-1-7-19(17)23(29)26-16-5-3-11-25-13-16/h1-13H,(H,26,29)(H3,24,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 20.2n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
The enzyme reaction substrate Poly(Glu, Tyr)4:1 was diluted with potassium-free PBS (10 mM sodium phosphate buffer, 150 mM NaCl, pH 7.2-7.4) to 20 &#...


US Patent US9914707 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50020257
PNG
(CHEMBL3288816)
Show SMILES Nc1ccc(cc1)-c1ccc(Nc2c(C(=O)NCc3ccc(F)cc3F)c(=O)n(O)c3ncccc23)cc1
Show InChI InChI=1S/C28H21F2N5O3/c29-19-8-3-18(23(30)14-19)15-33-27(36)24-25(22-2-1-13-32-26(22)35(38)28(24)37)34-21-11-6-17(7-12-21)16-4-9-20(31)10-5-16/h1-14,34,38H,15,31H2,(H,33,36)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate


J Med Chem 57: 5190-202 (2014)


Article DOI: 10.1021/jm5001908
BindingDB Entry DOI: 10.7270/Q2JS9S0F
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50020239
PNG
(CHEMBL3288525 | US9914707, I-3)
Show SMILES Nc1nccc2scc(-c3ccc4c(cccc4c3)C(=O)Nc3ccccc3)c12
Show InChI InChI=1S/C24H17N3OS/c25-23-22-20(14-29-21(22)11-12-26-23)16-9-10-18-15(13-16)5-4-8-19(18)24(28)27-17-6-2-1-3-7-17/h1-14H,(H2,25,26)(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7.10n/an/an/an/an/an/a



SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
The enzyme reaction substrate Poly(Glu, Tyr)4:1 was diluted with potassium-free PBS (10 mM sodium phosphate buffer, 150 mM NaCl, pH 7.2-7.4) to 20 &#...


US Patent US9914707 (2018)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50020257
PNG
(CHEMBL3288816)
Show SMILES Nc1ccc(cc1)-c1ccc(Nc2c(C(=O)NCc3ccc(F)cc3F)c(=O)n(O)c3ncccc23)cc1
Show InChI InChI=1S/C28H21F2N5O3/c29-19-8-3-18(23(30)14-19)15-33-27(36)24-25(22-2-1-13-32-26(22)35(38)28(24)37)34-21-11-6-17(7-12-21)16-4-9-20(31)10-5-16/h1-14,34,38H,15,31H2,(H,33,36)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.00E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate


J Med Chem 57: 5190-202 (2014)


Article DOI: 10.1021/jm5001908
BindingDB Entry DOI: 10.7270/Q2JS9S0F
More data for this
Ligand-Target Pair