BDBM50031516 CHEMBL3359143

SMILES: O=C(COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)Nc1cccc(c1)C(=O)c1ccc(OCC#C)cc1

InChI Key: InChIKey=LNRSPIMWWUBMDF-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 = 50031516   

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))	BDBM50031516 (CHEMBL3359143) Show SMILES O=C(COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)Nc1cccc(c1)C(=O)c1ccc(OCC#C)cc1 |TLB:7:10:13.12.17:15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10| Show InChI InChI=1S/C34H33NO4/c1-2-14-38-30-10-6-26(7-11-30)33(37)27-4-3-5-29(18-27)35-32(36)22-39-31-12-8-28(9-13-31)34-19-23-15-24(20-34)17-25(16-23)21-34/h1,3-13,18,23-25H,14-17,19-22H2,(H,35,36)	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))	BDBM50031516 (CHEMBL3359143) Show SMILES O=C(COc1ccc(cc1)C12CC3CC(CC(C3)C1)C2)Nc1cccc(c1)C(=O)c1ccc(OCC#C)cc1 |TLB:7:10:13.12.17:15,THB:11:12:15:19.10.18,11:10:13.12.17:15,18:10:13:17.16.15,18:16:13:19.11.10| Show InChI InChI=1S/C34H33NO4/c1-2-14-38-30-10-6-26(7-11-30)33(37)27-4-3-5-29(18-27)35-32(36)22-39-31-12-8-28(9-13-31)34-19-23-15-24(20-34)17-25(16-23)21-34/h1,3-13,18,23-25H,14-17,19-22H2,(H,35,36)	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