BDBM54072 3-[(4Z)-4-[4-(diethylamino)benzylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]-6-methyl-2H-1,2,4-triazin-5-one::3-[(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]-6-methyl-2H-1,2,4-triazin-5-one::3-[(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-3-methyl-5-oxo-1-pyrazolyl]-6-methyl-2H-1,2,4-triazin-5-one::3-[(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]-6-methyl-2H-1,2,4-triazin-5-one::3-{4-[1-(4-Diethylamino-phenyl)-meth-(Z)-ylidene]-3-methyl-5-oxo-4,5-dihydro-pyrazol-1-yl}-6-methyl-4H -[1,2,4]triazin-5-one::CHEMBL1548704::MLS000777021::SMR000413411::cid_5710537

SMILES: CCN(CC)c1ccc(C=c2c(=C)[nH]n(-c3nnc(C)c(=O)[nH]3)c2=O)cc1

InChI Key: InChIKey=GSLWHYBRCPYMQR-UHFFFAOYSA-N

Data: 4 IC50  1 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 5 hits for monomerid = 54072   

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
Zinc aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM54072 (3-[(4Z)-4-[4-(diethylamino)benzylidene]-5-keto-3-m...) Show SMILES CCN(CC)c1ccc(C=c2c(=C)[nH]n(-c3nnc(C)c(=O)[nH]3)c2=O)cc1 |w:9.8| Show InChI InChI=1S/C19H22N6O2/c1-5-24(6-2)15-9-7-14(8-10-15)11-16-12(3)23-25(18(16)27)19-20-17(26)13(4)21-22-19/h7-11,23H,3,5-6H2,1-2,4H3,(H,20,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.26E+4	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...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q27H1H0J
					More data for this Ligand-Target Pair
large T antigen (Simian virus 40)	BDBM54072 (3-[(4Z)-4-[4-(diethylamino)benzylidene]-5-keto-3-m...) Show SMILES CCN(CC)c1ccc(C=c2c(=C)[nH]n(-c3nnc(C)c(=O)[nH]3)c2=O)cc1 |w:9.8| Show InChI InChI=1S/C19H22N6O2/c1-5-24(6-2)15-9-7-14(8-10-15)11-16-12(3)23-25(18(16)27)19-20-17(26)13(4)21-22-19/h7-11,23H,3,5-6H2,1-2,4H3,(H,20,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.64E+4	n/a	n/a	n/a	n/a
Southern Research Specialized Biocontainment Screening Center Curated by PubChem BioAssay					Assay Description Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2ZK5F47
					More data for this Ligand-Target Pair
Natural resistance-associated macrophage protein 2 (Homo sapiens (Human))	BDBM54072 (3-[(4Z)-4-[4-(diethylamino)benzylidene]-5-keto-3-m...) Show SMILES CCN(CC)c1ccc(C=c2c(=C)[nH]n(-c3nnc(C)c(=O)[nH]3)c2=O)cc1 |w:9.8| Show InChI InChI=1S/C19H22N6O2/c1-5-24(6-2)15-9-7-14(8-10-15)11-16-12(3)23-25(18(16)27)19-20-17(26)13(4)21-22-19/h7-11,23H,3,5-6H2,1-2,4H3,(H,20,22,26)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xenon Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human DMT1 expressed in CHO cells assessed as blockage of ferrous influx after 20 mins by calcein fluorescence quenching method				Bioorg Med Chem Lett 22: 90-5 (2011) Article DOI: 10.1016/j.bmcl.2011.11.069 BindingDB Entry DOI: 10.7270/Q2RJ4JX6
					More data for this Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11) (Homo sapiens (Human))	BDBM54072 (3-[(4Z)-4-[4-(diethylamino)benzylidene]-5-keto-3-m...) Show SMILES CCN(CC)c1ccc(C=c2c(=C)[nH]n(-c3nnc(C)c(=O)[nH]3)c2=O)cc1 |w:9.8| Show InChI InChI=1S/C19H22N6O2/c1-5-24(6-2)15-9-7-14(8-10-15)11-16-12(3)23-25(18(16)27)19-20-17(26)13(4)21-22-19/h7-11,23H,3,5-6H2,1-2,4H3,(H,20,22,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.94E+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, La Jolla, CA...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2PC30Z9
					More data for this Ligand-Target Pair
Thrombin (Bos taurus (Bovine))	BDBM54072 (3-[(4Z)-4-[4-(diethylamino)benzylidene]-5-keto-3-m...) Show SMILES CCN(CC)c1ccc(C=c2c(=C)[nH]n(-c3nnc(C)c(=O)[nH]3)c2=O)cc1 |w:9.8| Show InChI InChI=1S/C19H22N6O2/c1-5-24(6-2)15-9-7-14(8-10-15)11-16-12(3)23-25(18(16)27)19-20-17(26)13(4)21-22-19/h7-11,23H,3,5-6H2,1-2,4H3,(H,20,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.99E+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, La Jolla, CA...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2JM286J
					More data for this Ligand-Target Pair