BDBM50031514 CHEMBL3359141

SMILES: Oc1ccc(cc1NC(=O)COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)C(=O)OCC#C

InChI Key: InChIKey=XQVBMJHDFWYMTL-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50031514   

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
Malate dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM50031514 (CHEMBL3359141) Show SMILES Oc1ccc(cc1NC(=O)COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)C(=O)OCC#C |TLB:15:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18| Show InChI InChI=1S/C28H29NO5/c1-2-9-33-27(32)21-3-8-25(30)24(13-21)29-26(31)17-34-23-6-4-22(5-7-23)28-14-18-10-19(15-28)12-20(11-18)16-28/h1,3-8,13,18-20,30H,9-12,14-17H2,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dongguk University-Seoul Curated by ChEMBL					Assay Description Inhibition of MDH2 (unknown origin) pre-incubated for 1 hr followed by malate and NAD+ addition				J Med Chem 57: 9522-38 (2014) Article DOI: 10.1021/jm501241g BindingDB Entry DOI: 10.7270/Q2N87CCD
					More data for this Ligand-Target Pair
Hypoxia-inducible factor 1-alpha (Homo sapiens (Human))	BDBM50031514 (CHEMBL3359141) Show SMILES Oc1ccc(cc1NC(=O)COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)C(=O)OCC#C |TLB:15:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18| Show InChI InChI=1S/C28H29NO5/c1-2-9-33-27(32)21-3-8-25(30)24(13-21)29-26(31)17-34-23-6-4-22(5-7-23)28-14-18-10-19(15-28)12-20(11-18)16-28/h1,3-8,13,18-20,30H,9-12,14-17H2,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dongguk University-Seoul Curated by ChEMBL					Assay Description Inhibition of HIF-1alpha in human HCT116 cells incubated for 12 hrs under hypoxic conditions by Western blotting and HRE-luciferase reporter assay				J Med Chem 57: 9522-38 (2014) Article DOI: 10.1021/jm501241g BindingDB Entry DOI: 10.7270/Q2N87CCD
					More data for this Ligand-Target Pair