BDBM44188 2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]-N-(5-methylisoxazol-3-yl)acetamide::MLS000053185::N-(5-methyl-1,2-oxazol-3-yl)-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide::N-(5-methyl-1,2-oxazol-3-yl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide::N-(5-methyl-3-isoxazolyl)-2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetamide::SMR000067298::cid_2081892

SMILES: Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)no1

InChI Key: InChIKey=XVSPNERRBHUGOX-UHFFFAOYSA-N

Data: 3 IC50  3 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 6 hits for monomerid = 44188   

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
Solute carrier family 12 member 5 (Homo sapiens (Human))	BDBM44188 (2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]...) Show SMILES Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)no1 Show InChI InChI=1S/C22H20N4O3S/c1-14-7-9-16(10-8-14)12-26-21(28)17-5-3-4-6-18(17)23-22(26)30-13-20(27)24-19-11-15(2)29-25-19/h3-11H,12-13H2,1-2H3,(H,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	8.20E+4	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2Q52N1X
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Homo sapiens (Human))	BDBM44188 (2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]...) Show SMILES Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)no1 Show InChI InChI=1S/C22H20N4O3S/c1-14-7-9-16(10-8-14)12-26-21(28)17-5-3-4-6-18(17)23-22(26)30-13-20(27)24-19-11-15(2)29-25-19/h3-11H,12-13H2,1-2H3,(H,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.51E+4	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2M32T6M
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM44188 (2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]...) Show SMILES Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)no1 Show InChI InChI=1S/C22H20N4O3S/c1-14-7-9-16(10-8-14)12-26-21(28)17-5-3-4-6-18(17)23-22(26)30-13-20(27)24-19-11-15(2)29-25-19/h3-11H,12-13H2,1-2H3,(H,24,25,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.41E+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 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM44188 (2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]...) Show SMILES Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)no1 Show InChI InChI=1S/C22H20N4O3S/c1-14-7-9-16(10-8-14)12-26-21(28)17-5-3-4-6-18(17)23-22(26)30-13-20(27)24-19-11-15(2)29-25-19/h3-11H,12-13H2,1-2H3,(H,24,25,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.41E+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 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM44188 (2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]...) Show SMILES Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)no1 Show InChI InChI=1S/C22H20N4O3S/c1-14-7-9-16(10-8-14)12-26-21(28)17-5-3-4-6-18(17)23-22(26)30-13-20(27)24-19-11-15(2)29-25-19/h3-11H,12-13H2,1-2H3,(H,24,25,27)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.53E+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 NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair
Solute carrier family 12 member 5 (Homo sapiens (Human))	BDBM44188 (2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]...) Show SMILES Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)no1 Show InChI InChI=1S/C22H20N4O3S/c1-14-7-9-16(10-8-14)12-26-21(28)17-5-3-4-6-18(17)23-22(26)30-13-20(27)24-19-11-15(2)29-25-19/h3-11H,12-13H2,1-2H3,(H,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.38E+5	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2PN942B
					More data for this Ligand-Target Pair