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

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/Host (Institution)	Ligand	Target/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	pH	Temp °C
SUMO-activating enzyme (Homo sapiens (Human))	BDBM50278299 (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 UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmcl.2013.07.022 BindingDB Entry DOI: 10.7270/Q2WD4205
					More data for this Ligand-Target Pair
SUMO1 activating enzyme subunit 1 (Homo sapiens (Human))	BDBM50278299 (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 Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2CJ8GBV
					More data for this Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs) (Bacillus anthracis)	BDBM50278299 (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 UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.70E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmcl.2009.02.034 BindingDB Entry DOI: 10.7270/Q2ST7PQC
					More data for this Ligand-Target Pair