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BDBM50278299 1-(6-(7-chloroquinazolin-4-yloxy)pyridin-3-yl)-3-(3-(cyclopentyloxy)-4-methoxyphenyl)urea::CHEMBL471230

InChI string: InChI=1S/C26H24ClN5O4/c1-34-22-10-7-17(13-23(22)35-19-4-2-3-5-19)31-26(33)32-18-8-11-24(28-14-18)36-25-20-9-6-16(27)12-21(20)29-15-30-25/h6-15,19H,2-5H2,1H3,(H2,31,32,33)

SMILES: COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(Cl)ccc34)nc2)cc1OC1CCCC1

InChI Key: InChIKey=CMDAQLXZGWQKFG-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50278299   
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
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50278299
PNG
(1-(6-(7-chloroquinazolin-4-yloxy)pyridin-3-yl)-3-(...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(Cl)ccc34)nc2)cc1OC1CCCC1
Show InChI InChI=1S/C26H24ClN5O4/c1-34-22-10-7-17(13-23(22)35-19-4-2-3-5-19)31-26(33)32-18-8-11-24(28-14-18)36-25-20-9-6-16(27)12-21(20)29-15-30-25/h6-15,19H,2-5H2,1H3,(H2,31,32,33)
PDB
MMDB

KEGG

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PubMed
n/an/a 9.70E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens)
BDBM50278299
PNG
(1-(6-(7-chloroquinazolin-4-yloxy)pyridin-3-yl)-3-(...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(Cl)ccc34)nc2)cc1OC1CCCC1
Show InChI InChI=1S/C26H24ClN5O4/c1-34-22-10-7-17(13-23(22)35-19-4-2-3-5-19)31-26(33)32-18-8-11-24(28-14-18)36-25-20-9-6-16(27)12-21(20)29-15-30-25/h6-15,19H,2-5H2,1H3,(H2,31,32,33)
PDB
MMDB

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PubMed
n/an/a 1.34E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-fused SUMO E1 (unknown origin) using RanGAP1 as substrate after 2 hrs by immunoblot analysis


Bioorg Med Chem Lett 26: 1218-23 (2016)

More data for this
Ligand-Target Pair
SUMO-activating enzyme


(Homo sapiens (Human))
BDBM50278299
PNG
(1-(6-(7-chloroquinazolin-4-yloxy)pyridin-3-yl)-3-(...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(Cl)ccc34)nc2)cc1OC1CCCC1
Show InChI InChI=1S/C26H24ClN5O4/c1-34-22-10-7-17(13-23(22)35-19-4-2-3-5-19)31-26(33)32-18-8-11-24(28-14-18)36-25-20-9-6-16(27)12-21(20)29-15-30-25/h6-15,19H,2-5H2,1H3,(H2,31,32,33)
PDB

KEGG

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antibodypedia
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.34E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibition of SUMO E1 (unknown origin)-mediated RanGAP1 sumoylation by immunoblotting analysis


Bioorg Med Chem Lett 23: 5145-9 (2013)

More data for this
Ligand-Target Pair