BDBM50029562 CHEMBL140915::{2-[1-(3-Chloro-benzyl)-4-methyl-6-(5-phenyl-pyridin-2-ylmethoxy)-4,5-dihydro-1H-thiopyrano[2,3,4-cd]indol-2-ylmethoxy]-phenyl}-acetic acid

SMILES: CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4cccc(Cl)c4)c(COc4ccccc4CC(O)=O)c(S1)c23

InChI Key: InChIKey=OQQODMMUYMQRLN-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 = 50029562   

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
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50029562 (CHEMBL140915 | {2-[1-(3-Chloro-benzyl)-4-methyl-6-...) Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4cccc(Cl)c4)c(COc4ccccc4CC(O)=O)c(S1)c23 Show InChI InChI=1S/C39H33ClN2O4S/c1-25-18-32-36(45-23-31-15-14-29(21-41-31)27-9-3-2-4-10-27)17-16-33-38(32)39(47-25)34(42(33)22-26-8-7-12-30(40)19-26)24-46-35-13-6-5-11-28(35)20-37(43)44/h2-17,19,21,25H,18,20,22-24H2,1H3,(H,43,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of Human 5-lipoxygenase				J Med Chem 38: 4538-47 (1995) BindingDB Entry DOI: 10.7270/Q2C53JW5
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Homo sapiens (Human))	BDBM50029562 (CHEMBL140915 | {2-[1-(3-Chloro-benzyl)-4-methyl-6-...) Show SMILES CC1Cc2c(OCc3ccc(cn3)-c3ccccc3)ccc3n(Cc4cccc(Cl)c4)c(COc4ccccc4CC(O)=O)c(S1)c23 Show InChI InChI=1S/C39H33ClN2O4S/c1-25-18-32-36(45-23-31-15-14-29(21-41-31)27-9-3-2-4-10-27)17-16-33-38(32)39(47-25)34(42(33)22-26-8-7-12-30(40)19-26)24-46-35-13-6-5-11-28(35)20-37(43)44/h2-17,19,21,25H,18,20,22-24H2,1H3,(H,43,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of Human 5-lipoxygenase				J Med Chem 38: 4538-47 (1995) BindingDB Entry DOI: 10.7270/Q2C53JW5
					More data for this Ligand-Target Pair