BDBM50244216 2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one::CHEMBL456881::cid_68261

SMILES: O=c1n2CCCc2nc2ccccc12

InChI Key: InChIKey=VARHXCYGZKSOOO-UHFFFAOYSA-N

Data: 11 IC50  2 EC50

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 13 hits for monomerid = 50244216   

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
mevalonate kinase (Streptococcus pneumoniae D39)	BDBM50244216 (2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...) Show SMILES O=c1n2CCCc2nc2ccccc12 Show InChI InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	3.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair
mevalonate kinase (Streptococcus pneumoniae D39)	BDBM50244216 (2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...) Show SMILES O=c1n2CCCc2nc2ccccc12 Show InChI InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q27P8WSS
					More data for this Ligand-Target Pair
mevalonate kinase (Streptococcus pneumoniae D39)	BDBM50244216 (2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...) Show SMILES O=c1n2CCCc2nc2ccccc12 Show InChI InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	1.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q23X852V
					More data for this Ligand-Target Pair
eukaryotic translation initiation factor 4 gamma, 1 isoform 4 (Homo sapiens (Human))	BDBM50244216 (2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...) Show SMILES O=c1n2CCCc2nc2ccccc12 Show InChI InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2RN3686
					More data for this Ligand-Target Pair
Kallikrein 5 (Homo sapiens (Human))	BDBM50244216 (2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...) Show SMILES O=c1n2CCCc2nc2ccccc12 Show InChI InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	4.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2GH9GC8
					More data for this Ligand-Target Pair
DNA recombination protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM50244216 (2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...) Show SMILES O=c1n2CCCc2nc2ccccc12 Show InChI InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	n/a	n/a	1.19E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2FN14NR
					More data for this Ligand-Target Pair
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50244216 (2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...) Show SMILES O=c1n2CCCc2nc2ccccc12 Show InChI InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xinyang Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE pre-incubated for 6 mins before ATCI substrate addition and measured after 12 mins by DTNB reagent dependent UV-Vis spectrop...				Eur J Med Chem 140: 118-127 (2017) Article DOI: 10.1016/j.ejmech.2017.09.008 BindingDB Entry DOI: 10.7270/Q2VT1VQS
					More data for this Ligand-Target Pair
putative hexokinase HKDC1 (Homo sapiens (Human))	BDBM50244216 (2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...) Show SMILES O=c1n2CCCc2nc2ccccc12 Show InChI InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2	GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	4.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2W094D4
					More data for this Ligand-Target Pair
putative hexokinase HKDC1 (Homo sapiens (Human))	BDBM50244216 (2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...) Show SMILES O=c1n2CCCc2nc2ccccc12 Show InChI InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2	GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q23F4N3R
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50244216 (2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...) Show SMILES O=c1n2CCCc2nc2ccccc12 Show InChI InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of BuchE (unknown origin)				Bioorg Med Chem Lett 18: 3790-3 (2008) Article DOI: 10.1016/j.bmcl.2008.05.039 BindingDB Entry DOI: 10.7270/Q2154GTQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50244216 (2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...) Show SMILES O=c1n2CCCc2nc2ccccc12 Show InChI InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of AchE (unknown origin)				Bioorg Med Chem Lett 18: 3790-3 (2008) Article DOI: 10.1016/j.bmcl.2008.05.039 BindingDB Entry DOI: 10.7270/Q2154GTQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50244216 (2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...) Show SMILES O=c1n2CCCc2nc2ccccc12 Show InChI InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xinyang Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE pre-incubated for 6 mins before ATCI substrate addition and measured after 12 mins by DTNB reagent dependent UV-Vis spectrop...				Eur J Med Chem 140: 118-127 (2017) Article DOI: 10.1016/j.ejmech.2017.09.008 BindingDB Entry DOI: 10.7270/Q2VT1VQS
					More data for this Ligand-Target Pair
DNA recombination protein RecA (Mycobacterium tuberculosis H37Rv)	BDBM50244216 (2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...) Show SMILES O=c1n2CCCc2nc2ccccc12 Show InChI InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2DR2SX9
					More data for this Ligand-Target Pair