BDBM50411905 CHEMBL272733

SMILES: COc1nc(CC=C(C)C\C=C\C(\C)=C\[C@@H](C)[C@@H](O)C(\C)=C\C)c(C)c(O)c1OC

InChI Key: InChIKey=BBLGCDSLCDDALX-PWLUOXNBSA-N

Data: 2 IC50  1 Kd

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 3 hits for monomerid = 50411905   

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
Acyl carrier protein, mitochondrial (Bos taurus)	BDBM50411905 (CHEMBL272733) Show SMILES COc1nc(CC=C(C)C\C=C\C(\C)=C\[C@@H](C)[C@@H](O)C(\C)=C\C)c(C)c(O)c1OC |w:6.5| Show InChI InChI=1S/C25H37NO4/c1-9-18(4)22(27)19(5)15-17(3)12-10-11-16(2)13-14-21-20(6)23(28)24(29-7)25(26-21)30-8/h9-10,12-13,15,19,22,27H,11,14H2,1-8H3,(H,26,28)/b12-10+,16-13?,17-15+,18-9+/t19-,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Georg-August-Universit£t G£ttingen Curated by ChEMBL					Assay Description Inhibition of NADH-ubiquinone oxidoreductase assessed as NADH oxidase activity in bovine heart submitochondrial particles				Bioorg Med Chem 16: 1738-46 (2008) Article DOI: 10.1016/j.bmc.2007.11.023 BindingDB Entry DOI: 10.7270/Q2V40WFB
					More data for this Ligand-Target Pair
Peroxiredoxin-1 (Homo sapiens)	BDBM50411905 (CHEMBL272733) Show SMILES COc1nc(CC=C(C)C\C=C\C(\C)=C\[C@@H](C)[C@@H](O)C(\C)=C\C)c(C)c(O)c1OC |w:6.5| Show InChI InChI=1S/C25H37NO4/c1-9-18(4)22(27)19(5)15-17(3)12-10-11-16(2)13-14-21-20(6)23(28)24(29-7)25(26-21)30-8/h9-10,12-13,15,19,22,27H,11,14H2,1-8H3,(H,26,28)/b12-10+,16-13?,17-15+,18-9+/t19-,22+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Binding affinity to full-length human PRDX1 by surface plasmon resonance analysis				J Med Chem 62: 7058-7069 (2019) Article DOI: 10.1021/acs.jmedchem.9b00598
					More data for this Ligand-Target Pair
NADH-ubiquinone oxidoreductase (Bos taurus (Bovine))	BDBM50411905 (CHEMBL272733) Show SMILES COc1nc(CC=C(C)C\C=C\C(\C)=C\[C@@H](C)[C@@H](O)C(\C)=C\C)c(C)c(O)c1OC |w:6.5| Show InChI InChI=1S/C25H37NO4/c1-9-18(4)22(27)19(5)15-17(3)12-10-11-16(2)13-14-21-20(6)23(28)24(29-7)25(26-21)30-8/h9-10,12-13,15,19,22,27H,11,14H2,1-8H3,(H,26,28)/b12-10+,16-13?,17-15+,18-9+/t19-,22+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto University Curated by ChEMBL					Assay Description Inhibition of Bos taurus (bovine) mitochondrial complex 1 assessed as reduction in enzyme activity by NADH-HU oxidoreductase assay				Biochim Biophys Acta 1556: 106-12 (2002) Article DOI: 10.1016/s0005-2728(02)00341-9 BindingDB Entry DOI: 10.7270/Q2V69NG0
					More data for this Ligand-Target Pair