BDBM32315 CHEMBL1345690::MLS000715851::SMR000277368::cid_5522952

SMILES: CCOC(=O)c1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23

InChI Key: InChIKey=UFJGFNHRMPMALC-UHFFFAOYSA-N

Data: 1 KI  1 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 5 hits for monomerid = 32315   

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
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM32315 (CHEMBL1345690 | MLS000715851 | SMR000277368 | cid_...) Show SMILES CCOC(=O)c1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23 Show InChI InChI=1S/C19H13NO4/c1-2-24-19(23)16-15-10-6-3-4-7-11(10)17(21)12-8-5-9-13(14(12)15)20-18(16)22/h3-9H,2H2,1H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Competitive inhibition of human ASK1 by Lineweaver-Burk plot analysis				J Med Chem 54: 2680-6 (2011) Article DOI: 10.1021/jm200117h BindingDB Entry DOI: 10.7270/Q2ST7Q45
					More data for this Ligand-Target Pair
glutathione S-transferase (Homo sapiens (Human))	BDBM32315 (CHEMBL1345690 | MLS000715851 | SMR000277368 | cid_...) Show SMILES CCOC(=O)c1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23 Show InChI InChI=1S/C19H13NO4/c1-2-24-19(23)16-15-10-6-3-4-7-11(10)17(21)12-8-5-9-13(14(12)15)20-18(16)22/h3-9H,2H2,1H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.11E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2M61HPT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5 (Homo sapiens (Human))	BDBM32315 (CHEMBL1345690 | MLS000715851 | SMR000277368 | cid_...) Show SMILES CCOC(=O)c1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23 Show InChI InChI=1S/C19H13NO4/c1-2-24-19(23)16-15-10-6-3-4-7-11(10)17(21)12-8-5-9-13(14(12)15)20-18(16)22/h3-9H,2H2,1H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
NAS of Ukraine Curated by ChEMBL					Assay Description Competitive inhibition of human ASK1				J Med Chem 54: 2680-6 (2011) Article DOI: 10.1021/jm200117h BindingDB Entry DOI: 10.7270/Q2ST7Q45
					More data for this Ligand-Target Pair
Isoform Bcl-X(L) (Homo sapiens (Human))	BDBM32315 (CHEMBL1345690 | MLS000715851 | SMR000277368 | cid_...) Show SMILES CCOC(=O)c1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23 Show InChI InChI=1S/C19H13NO4/c1-2-24-19(23)16-15-10-6-3-4-7-11(10)17(21)12-8-5-9-13(14(12)15)20-18(16)22/h3-9H,2H2,1H3,(H,20,22)	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.12E+3	n/a	n/a	7.4	4
NMMLSC Curated by PubChem BioAssay					Assay Description The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2K935WV
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-B (Bcl-2-like 10 protein) (Bcl2-L-10) (Anti-apoptotic protein NrH). (Homo sapiens (Human))	BDBM32315 (CHEMBL1345690 | MLS000715851 | SMR000277368 | cid_...) Show SMILES CCOC(=O)c1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23 Show InChI InChI=1S/C19H13NO4/c1-2-24-19(23)16-15-10-6-3-4-7-11(10)17(21)12-8-5-9-13(14(12)15)20-18(16)22/h3-9H,2H2,1H3,(H,20,22)	PDB KEGG B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.53E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2GH9GBT
					More data for this Ligand-Target Pair