BDBM50349829 CHEMBL1813183

SMILES: CCC(C)CC(C)CC(C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H]3O[C@@]3(C(=C)CO)C(=O)C=C12

InChI Key: InChIKey=CVLZBOJHINAXHY-VAXWEKKDSA-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 = 50349829   

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
Myeloperoxidase (MPO) (Homo sapiens (Human))	BDBM50349829 (CHEMBL1813183) Show SMILES CCC(C)CC(C)CC(C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H]3O[C@@]3(C(=C)CO)C(=O)C=C12 |r,t:30| Show InChI InChI=1S/C26H40O5/c1-8-15(2)11-16(3)12-17(4)23(29)30-21-10-9-18(5)25(7)20(21)13-22(28)26(19(6)14-27)24(25)31-26/h13,15-18,21,24,27H,6,8-12,14H2,1-5,7H3/t15?,16?,17?,18-,21+,24+,25+,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Estadual Paulista Curated by ChEMBL					Assay Description Inhibition of myeloperoxidase (unknown origin) using HOCl/taurine as substrate assessed as inhibition of taurine chloramine production by spectrophot...				J Nat Prod 77: 668-72 (2014) Article DOI: 10.1021/np400825s BindingDB Entry DOI: 10.7270/Q24X598C
					More data for this Ligand-Target Pair
Subtilisin/kexin type 7 (Homo sapiens (Human))	BDBM50349829 (CHEMBL1813183) Show SMILES CCC(C)CC(C)CC(C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H]3O[C@@]3(C(=C)CO)C(=O)C=C12 |r,t:30| Show InChI InChI=1S/C26H40O5/c1-8-15(2)11-16(3)12-17(4)23(29)30-21-10-9-18(5)25(7)20(21)13-22(28)26(19(6)14-27)24(25)31-26/h13,15-18,21,24,27H,6,8-12,14H2,1-5,7H3/t15?,16?,17?,18-,21+,24+,25+,26-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	462	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Estadual Paulista Curated by ChEMBL					Assay Description Inhibition of recombinant type 8 subtilisin using Arg-Glu-(EDANS)- Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys-(DALBCYL)-Arg fluorogenic substrate preincubat...				J Nat Prod 74: 1353-7 (2011) Article DOI: 10.1021/np1005983 BindingDB Entry DOI: 10.7270/Q2PZ596S
					More data for this Ligand-Target Pair