BDBM50085173 2-{Adamantan-2-yl-[4-(quinolin-2-ylmethoxy)-phenyl]-methoxyimino}-propionic acid::CHEMBL348939

SMILES: C\C(=N/OC(C1C2CC3CC(C2)CC1C3)c1ccc(OCc2ccc3ccccc3n2)cc1)C(O)=O

InChI Key: InChIKey=UDLGWRNZMFEOSH-KCSSXMTESA-N

Data: 1 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 1 hit for monomerid = 50085173   

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))	BDBM50085173 (2-{Adamantan-2-yl-[4-(quinolin-2-ylmethoxy)-phenyl...) Show SMILES C\C(=N/OC(C1C2CC3CC(C2)CC1C3)c1ccc(OCc2ccc3ccccc3n2)cc1)C(O)=O |TLB:4:5:12:8.14.9,7:8:12:5.6.11,THB:9:8:5:10.12.11,9:10:5:8.7.14,7:6:12:8.14.9,(19.63,-4.14,;19.63,-5.68,;18.3,-6.45,;16.96,-5.68,;15.64,-6.45,;15.63,-7.99,;14.46,-8.89,;12.72,-8.74,;13.97,-9.66,;14.39,-11.12,;16.01,-11.14,;14.87,-10.25,;17.24,-10.21,;16.82,-8.74,;15.22,-8.67,;14.32,-5.68,;14.32,-4.14,;12.97,-3.37,;11.65,-4.14,;10.33,-3.37,;9.01,-4.15,;7.68,-3.37,;7.66,-1.82,;6.33,-1.07,;4.99,-1.84,;3.66,-1.07,;2.33,-1.84,;2.33,-3.39,;3.66,-4.16,;4.99,-3.37,;6.33,-4.15,;11.65,-5.66,;12.97,-6.43,;20.94,-6.45,;20.97,-7.96,;22.29,-5.68,)| Show InChI InChI=1S/C30H32N2O4/c1-18(30(33)34)32-36-29(28-23-13-19-12-20(15-23)16-24(28)14-19)22-7-10-26(11-8-22)35-17-25-9-6-21-4-2-3-5-27(21)31-25/h2-11,19-20,23-24,28-29H,12-17H2,1H3,(H,33,34)/b32-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of calcium ionophore (A-23187)-stimulated LTB4 formation in human neutrophil assay				J Med Chem 43: 690-705 (2000) BindingDB Entry DOI: 10.7270/Q2HD7WCR
					More data for this Ligand-Target Pair