BDBM50383912 CHEMBL2031653

SMILES: Cn1nnc(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1[C@@]1(C[C@H]2CC[C@H]1C2)c1ccccc1

InChI Key: InChIKey=KCPDMZYFVVZFIU-DDIQADRFSA-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 = 50383912   

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
5-lipoxygenase/FLAP (Homo sapiens (Human))	BDBM50383912 (CHEMBL2031653) Show SMILES Cn1nnc(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1[C@@]1(C[C@H]2CC[C@H]1C2)c1ccccc1 |r,TLB:31:24:28.27:30,THB:23:24:28.27:30| Show InChI InChI=1S/C31H29N5O/c1-36-34-30(33-35-36)27-16-15-26(37-20-25-14-12-22-7-5-6-10-29(22)32-25)18-28(27)31(23-8-3-2-4-9-23)19-21-11-13-24(31)17-21/h2-10,12,14-16,18,21,24H,11,13,17,19-20H2,1H3/t21-,24-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	313	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase-activating protein in human polymorphonuclear cells assessed as inhibition of calcium ionophore-induced LTB4 production ...				Bioorg Med Chem Lett 22: 4133-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.064 BindingDB Entry DOI: 10.7270/Q2348MCB
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (Human))	BDBM50383912 (CHEMBL2031653) Show SMILES Cn1nnc(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1[C@@]1(C[C@H]2CC[C@H]1C2)c1ccccc1 |r,TLB:31:24:28.27:30,THB:23:24:28.27:30| Show InChI InChI=1S/C31H29N5O/c1-36-34-30(33-35-36)27-16-15-26(37-20-25-14-12-22-7-5-6-10-29(22)32-25)18-28(27)31(23-8-3-2-4-9-23)19-21-11-13-24(31)17-21/h2-10,12,14-16,18,21,24H,11,13,17,19-20H2,1H3/t21-,24-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]L-691,831 from 5-lipoxygenase-activating protein in human polymorphonuclear cells				Bioorg Med Chem Lett 22: 4133-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.064 BindingDB Entry DOI: 10.7270/Q2348MCB
					More data for this Ligand-Target Pair