BDBM50526758 CHEMBL4570690

SMILES: CN(C)C(=O)c1ccc(cc1)N(Cc1ccco1)C(=O)c1ccc(O)cc1O

InChI Key: InChIKey=LZCHVMYGVHFFSN-UHFFFAOYSA-N

Data: 7 IC50

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 7 hits for monomerid = 50526758   

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
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50526758 (CHEMBL4570690) Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1ccco1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C21H20N2O5/c1-22(2)20(26)14-5-7-15(8-6-14)23(13-17-4-3-11-28-17)21(27)18-10-9-16(24)12-19(18)25/h3-12,24-25H,13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of HSP90 (unknown origin)				J Med Chem 62: 8461-8479 (2019) Article DOI: 10.1021/acs.jmedchem.9b00565
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM50526758 (CHEMBL4570690) Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1ccco1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C21H20N2O5/c1-22(2)20(26)14-5-7-15(8-6-14)23(13-17-4-3-11-28-17)21(27)18-10-9-16(24)12-19(18)25/h3-12,24-25H,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of PDHK2 (unknown origin) assessed as reduction in NAD measured for 30 mins				J Med Chem 62: 8461-8479 (2019) Article DOI: 10.1021/acs.jmedchem.9b00565
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial (Homo sapiens (Human))	BDBM50526758 (CHEMBL4570690) Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1ccco1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C21H20N2O5/c1-22(2)20(26)14-5-7-15(8-6-14)23(13-17-4-3-11-28-17)21(27)18-10-9-16(24)12-19(18)25/h3-12,24-25H,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of PDHK4 (unknown origin) assessed as reduction in NAD measured for 30 mins				J Med Chem 62: 8461-8479 (2019) Article DOI: 10.1021/acs.jmedchem.9b00565
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial (Homo sapiens (Human))	BDBM50526758 (CHEMBL4570690) Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1ccco1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C21H20N2O5/c1-22(2)20(26)14-5-7-15(8-6-14)23(13-17-4-3-11-28-17)21(27)18-10-9-16(24)12-19(18)25/h3-12,24-25H,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of PDHK3 (unknown origin) by radiometric biochemical kinase assay				J Med Chem 62: 8461-8479 (2019) Article DOI: 10.1021/acs.jmedchem.9b00565
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial (Homo sapiens (Human))	BDBM50526758 (CHEMBL4570690) Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1ccco1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C21H20N2O5/c1-22(2)20(26)14-5-7-15(8-6-14)23(13-17-4-3-11-28-17)21(27)18-10-9-16(24)12-19(18)25/h3-12,24-25H,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of PDHK4 (unknown origin) by radiometric biochemical kinase assay				J Med Chem 62: 8461-8479 (2019) Article DOI: 10.1021/acs.jmedchem.9b00565
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM50526758 (CHEMBL4570690) Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1ccco1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C21H20N2O5/c1-22(2)20(26)14-5-7-15(8-6-14)23(13-17-4-3-11-28-17)21(27)18-10-9-16(24)12-19(18)25/h3-12,24-25H,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of PDHK1 (unknown origin) by radiometric biochemical kinase assay				J Med Chem 62: 8461-8479 (2019) Article DOI: 10.1021/acs.jmedchem.9b00565
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM50526758 (CHEMBL4570690) Show SMILES CN(C)C(=O)c1ccc(cc1)N(Cc1ccco1)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C21H20N2O5/c1-22(2)20(26)14-5-7-15(8-6-14)23(13-17-4-3-11-28-17)21(27)18-10-9-16(24)12-19(18)25/h3-12,24-25H,13H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of PDHK2 (unknown origin) by radiometric biochemical kinase assay				J Med Chem 62: 8461-8479 (2019) Article DOI: 10.1021/acs.jmedchem.9b00565
					More data for this Ligand-Target Pair