Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 527.6 BDBM145734

Wt: 527.6 BDBM101418

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM145734 (US8952177, 88 | US9089569, 88) Show SMILES Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(O)=O)n(Cc4ccc(cc4)N4CCCCC4)c3c2)n1 |r| Show InChI InChI=1S/C31H37N5O3/c1-34-18-15-23(33-34)21-39-25-13-14-28-29(19-25)36(30(32-28)26-7-3-4-8-27(26)31(37)38)20-22-9-11-24(12-10-22)35-16-5-2-6-17-35/h9-15,18-19,26-27H,2-8,16-17,20-21H2,1H3,(H,37,38)/t26-,27+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description FLAP-containing membranes were prepared as was a FITC-labeled FLAP modulator (3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-in...				US Patent US8952177 (2015) BindingDB Entry DOI: 10.7270/Q2G73CFW
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM101418 (US9695149, 88) Show SMILES Cn1ccc(COc2ccc3nc(C4CCCC[C@@H]4C(O)=O)n(Cc4ccc(cc4)N4CCCCC4)c3c2)n1 |r| Show InChI InChI=1S/C31H37N5O3/c1-34-18-15-23(33-34)21-39-25-13-14-28-29(19-25)36(30(32-28)26-7-3-4-8-27(26)31(37)38)20-22-9-11-24(12-10-22)35-16-5-2-6-17-35/h9-15,18-19,26-27H,2-8,16-17,20-21H2,1H3,(H,37,38)/t26?,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...				US Patent US9695149 (2017) BindingDB Entry DOI: 10.7270/Q2Q52MSC
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase-activating protein (Homo sapiens (Human))	BDBM145734 (US8952177, 88 | US9089569, 88) Show SMILES Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(O)=O)n(Cc4ccc(cc4)N4CCCCC4)c3c2)n1 |r| Show InChI InChI=1S/C31H37N5O3/c1-34-18-15-23(33-34)21-39-25-13-14-28-29(19-25)36(30(32-28)26-7-3-4-8-27(26)31(37)38)20-22-9-11-24(12-10-22)35-16-5-2-6-17-35/h9-15,18-19,26-27H,2-8,16-17,20-21H2,1H3,(H,37,38)/t26-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
JANSSEN PHARMACEUTICA NV US Patent					Assay Description The assay below is used to test the modulatory activity of compounds against FLAP. Human and mouse FLAP-encoding DNA was amplified by polymerase chai...				US Patent US9089569 (2015) BindingDB Entry DOI: 10.7270/Q23X85DB
					More data for this Ligand-Target Pair