BDBM50387 1-[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-(3-pyridyl)thiourea::1-[[(E)-(2,3-dihydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-3-(3-pyridinyl)thiourea::1-[[(E)-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-pyridin-3-ylthiourea::1-[[(E)-[2,3-bis(oxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]methyl]amino]-3-pyridin-3-yl-thiourea::MLS000416762::SMR000241745::cid_5807729

SMILES: Oc1ccc(C=NNC(=S)Nc2cccnc2)c(O)c1O

InChI Key: InChIKey=HPVIHYSWSXQXDE-UHFFFAOYSA-N

Data: 8 IC50  4 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 12 hits for monomerid = 50387   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50387 (1-[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1...) Show SMILES Oc1ccc(C=NNC(=S)Nc2cccnc2)c(O)c1O |w:6.6| Show InChI InChI=1S/C13H12N4O3S/c18-10-4-3-8(11(19)12(10)20)6-15-17-13(21)16-9-2-1-5-14-7-9/h1-7,18-20H,(H2,16,17,21)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.95E+4	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: Nikolovska-Coleska, Univer...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539
					More data for this Ligand-Target Pair
POsterior Segregation family member (pos-1) (Caenorhabditis elegans)	BDBM50387 (1-[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1...) Show SMILES Oc1ccc(C=NNC(=S)Nc2cccnc2)c(O)c1O |w:6.6| Show InChI InChI=1S/C13H12N4O3S/c18-10-4-3-8(11(19)12(10)20)6-15-17-13(21)16-9-2-1-5-14-7-9/h1-7,18-20H,(H2,16,17,21)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.14E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q28G8J4C
					More data for this Ligand-Target Pair
RecName: Full=Zinc finger protein mex-5 (Caenorhabditis elegans)	BDBM50387 (1-[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1...) Show SMILES Oc1ccc(C=NNC(=S)Nc2cccnc2)c(O)c1O |w:6.6| Show InChI InChI=1S/C13H12N4O3S/c18-10-4-3-8(11(19)12(10)20)6-15-17-13(21)16-9-2-1-5-14-7-9/h1-7,18-20H,(H2,16,17,21)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	86	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2D798VP
					More data for this Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE (Escherichia coli str. K-12 substr. MG1655)	BDBM50387 (1-[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1...) Show SMILES Oc1ccc(C=NNC(=S)Nc2cccnc2)c(O)c1O |w:6.6| Show InChI InChI=1S/C13H12N4O3S/c18-10-4-3-8(11(19)12(10)20)6-15-17-13(21)16-9-2-1-5-14-7-9/h1-7,18-20H,(H2,16,17,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.90E+4	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/Q2TB15DB
					More data for this Ligand-Target Pair
mRNA interferase toxin, antitoxin is MazE (Escherichia coli str. K-12 substr. MG1655)	BDBM50387 (1-[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1...) Show SMILES Oc1ccc(C=NNC(=S)Nc2cccnc2)c(O)c1O |w:6.6| Show InChI InChI=1S/C13H12N4O3S/c18-10-4-3-8(11(19)12(10)20)6-15-17-13(21)16-9-2-1-5-14-7-9/h1-7,18-20H,(H2,16,17,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.90E+4	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/Q2Z31X54
					More data for this Ligand-Target Pair
Phospholipase C-beta-3 (Homo sapiens (Human))	BDBM50387 (1-[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1...) Show SMILES Oc1ccc(C=NNC(=S)Nc2cccnc2)c(O)c1O |w:6.6| Show InChI InChI=1S/C13H12N4O3S/c18-10-4-3-8(11(19)12(10)20)6-15-17-13(21)16-9-2-1-5-14-7-9/h1-7,18-20H,(H2,16,17,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2S46QKQ
					More data for this Ligand-Target Pair
TCRAV4S1 (Homo sapiens (Human))	BDBM50387 (1-[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1...) Show SMILES Oc1ccc(C=NNC(=S)Nc2cccnc2)c(O)c1O |w:6.6| Show InChI InChI=1S/C13H12N4O3S/c18-10-4-3-8(11(19)12(10)20)6-15-17-13(21)16-9-2-1-5-14-7-9/h1-7,18-20H,(H2,16,17,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2WQ02FK
					More data for this Ligand-Target Pair
serum albumin precursor (Bos taurus)	BDBM50387 (1-[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1...) Show SMILES Oc1ccc(C=NNC(=S)Nc2cccnc2)c(O)c1O |w:6.6| Show InChI InChI=1S/C13H12N4O3S/c18-10-4-3-8(11(19)12(10)20)6-15-17-13(21)16-9-2-1-5-14-7-9/h1-7,18-20H,(H2,16,17,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>9.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2RX99Q9
					More data for this Ligand-Target Pair
Phospholipase C, gamma 1 (Homo sapiens (Human))	BDBM50387 (1-[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1...) Show SMILES Oc1ccc(C=NNC(=S)Nc2cccnc2)c(O)c1O |w:6.6| Show InChI InChI=1S/C13H12N4O3S/c18-10-4-3-8(11(19)12(10)20)6-15-17-13(21)16-9-2-1-5-14-7-9/h1-7,18-20H,(H2,16,17,21)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2NC5ZV0
					More data for this Ligand-Target Pair
lens epithelium-derived growth factor p75 (Homo sapiens (Human))	BDBM50387 (1-[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1...) Show SMILES Oc1ccc(C=NNC(=S)Nc2cccnc2)c(O)c1O |w:6.6| Show InChI InChI=1S/C13H12N4O3S/c18-10-4-3-8(11(19)12(10)20)6-15-17-13(21)16-9-2-1-5-14-7-9/h1-7,18-20H,(H2,16,17,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2Q52N9H
					More data for this Ligand-Target Pair
lens epithelium-derived growth factor p75 (Homo sapiens (Human))	BDBM50387 (1-[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1...) Show SMILES Oc1ccc(C=NNC(=S)Nc2cccnc2)c(O)c1O |w:6.6| Show InChI InChI=1S/C13H12N4O3S/c18-10-4-3-8(11(19)12(10)20)6-15-17-13(21)16-9-2-1-5-14-7-9/h1-7,18-20H,(H2,16,17,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	804	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2KD1WKS
					More data for this Ligand-Target Pair
exonuclease V (RecBCD complex), alpha chain (Escherichia coli str. K-12 substr. MG1655)	BDBM50387 (1-[[(E)-(2,3-dihydroxy-4-keto-cyclohexa-2,5-dien-1...) Show SMILES Oc1ccc(C=NNC(=S)Nc2cccnc2)c(O)c1O |w:6.6| Show InChI InChI=1S/C13H12N4O3S/c18-10-4-3-8(11(19)12(10)20)6-15-17-13(21)16-9-2-1-5-14-7-9/h1-7,18-20H,(H2,16,17,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.19E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q21G0JXG
					More data for this Ligand-Target Pair