BDBM50031517 CHEMBL3359144

SMILES: O=C(Nc1cccc(c1)C(=O)c1ccc(OCC#C)cc1)\C=C\Oc1ccc(cc1)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=WBBJFJPWRHKQOD-JQIJEIRASA-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 = 50031517   

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))	BDBM50031517 (CHEMBL3359144) Show SMILES O=C(Nc1cccc(c1)C(=O)c1ccc(OCC#C)cc1)\C=C\Oc1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |TLB:27:30:33.32.37:35,THB:31:32:35:39.30.38,31:30:33.32.37:35,38:30:33:37.36.35,38:36:33:39.31.30| Show InChI InChI=1S/C35H33NO4/c1-2-15-39-31-10-6-27(7-11-31)34(38)28-4-3-5-30(20-28)36-33(37)14-16-40-32-12-8-29(9-13-32)35-21-24-17-25(22-35)19-26(18-24)23-35/h1,3-14,16,20,24-26H,15,17-19,21-23H2,(H,36,37)/b16-14+	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	>2.00E+4	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))	BDBM50031517 (CHEMBL3359144) Show SMILES O=C(Nc1cccc(c1)C(=O)c1ccc(OCC#C)cc1)\C=C\Oc1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |TLB:27:30:33.32.37:35,THB:31:32:35:39.30.38,31:30:33.32.37:35,38:30:33:37.36.35,38:36:33:39.31.30| Show InChI InChI=1S/C35H33NO4/c1-2-15-39-31-10-6-27(7-11-31)34(38)28-4-3-5-30(20-28)36-33(37)14-16-40-32-12-8-29(9-13-32)35-21-24-17-25(22-35)19-26(18-24)23-35/h1,3-14,16,20,24-26H,15,17-19,21-23H2,(H,36,37)/b16-14+	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	>3.00E+4	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