BDBM50512918 CHEMBL4458304

SMILES: [H][C@]12CC[C@]([H])(CC1)[C@H]([C@@H]2C(=O)Nc1cn(C)nc1C)C(=O)c1ccc(cc1F)-c1cc[nH]n1

InChI Key: InChIKey=LSHBRESJOLLYTF-SNINSWTHSA-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 = 50512918   

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))	BDBM50512918 (CHEMBL4458304) Show SMILES [H][C@]12CC[C@]([H])(CC1)[C@H]([C@@H]2C(=O)Nc1cn(C)nc1C)C(=O)c1ccc(cc1F)-c1cc[nH]n1 |r,wU:9.11,4.4,1.0,wD:8.22,(51.99,-6.95,;51.99,-8.49,;50.66,-9.28,;50.66,-10.83,;51.99,-11.59,;51.99,-13.13,;51.36,-10.26,;52.48,-9.82,;53.33,-10.83,;53.33,-9.28,;54.67,-8.51,;56.01,-9.29,;54.68,-6.96,;56.02,-6.19,;56.17,-4.66,;57.68,-4.34,;58.31,-2.94,;58.45,-5.68,;57.41,-6.82,;57.73,-8.33,;54.67,-11.6,;56.01,-10.83,;54.67,-13.13,;53.33,-13.9,;53.33,-15.44,;54.67,-16.21,;56.01,-15.44,;56,-13.9,;57.33,-13.13,;54.68,-17.75,;53.43,-18.66,;53.91,-20.12,;55.45,-20.12,;55.93,-18.66,)| Show InChI InChI=1S/C24H26FN5O2/c1-13-20(12-30(2)29-13)27-24(32)22-15-5-3-14(4-6-15)21(22)23(31)17-8-7-16(11-18(17)25)19-9-10-26-28-19/h7-12,14-15,21-22H,3-6H2,1-2H3,(H,26,28)(H,27,32)/t14-,15+,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]MK0591 binding to human FLAP expressed in human COS7 cell membranes measured after 60 to 80 mins by scintillation counting method				J Med Chem 62: 4325-4349 (2019) Article DOI: 10.1021/acs.jmedchem.8b02012
					More data for this Ligand-Target Pair
5-lipoxygenase/FLAP (Homo sapiens (Human))	BDBM50512918 (CHEMBL4458304) Show SMILES [H][C@]12CC[C@]([H])(CC1)[C@H]([C@@H]2C(=O)Nc1cn(C)nc1C)C(=O)c1ccc(cc1F)-c1cc[nH]n1 |r,wU:9.11,4.4,1.0,wD:8.22,(51.99,-6.95,;51.99,-8.49,;50.66,-9.28,;50.66,-10.83,;51.99,-11.59,;51.99,-13.13,;51.36,-10.26,;52.48,-9.82,;53.33,-10.83,;53.33,-9.28,;54.67,-8.51,;56.01,-9.29,;54.68,-6.96,;56.02,-6.19,;56.17,-4.66,;57.68,-4.34,;58.31,-2.94,;58.45,-5.68,;57.41,-6.82,;57.73,-8.33,;54.67,-11.6,;56.01,-10.83,;54.67,-13.13,;53.33,-13.9,;53.33,-15.44,;54.67,-16.21,;56.01,-15.44,;56,-13.9,;57.33,-13.13,;54.68,-17.75,;53.43,-18.66,;53.91,-20.12,;55.45,-20.12,;55.93,-18.66,)| Show InChI InChI=1S/C24H26FN5O2/c1-13-20(12-30(2)29-13)27-24(32)22-15-5-3-14(4-6-15)21(22)23(31)17-8-7-16(11-18(17)25)19-9-10-26-28-19/h7-12,14-15,21-22H,3-6H2,1-2H3,(H,26,28)(H,27,32)/t14-,15+,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of FLAP in human whole blood assessed as reduction in calcium ionophore-stimulated LTB4 production preincubated for 30 mins followed by ca...				J Med Chem 62: 4325-4349 (2019) Article DOI: 10.1021/acs.jmedchem.8b02012
					More data for this Ligand-Target Pair