BDBM50280985 2-{[((1R,4aS)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthren-1-ylmethyl)-amino]-methyl}-benzoic acid; hydrochloride::CHEMBL543579

SMILES: CC(C)c1ccc2c(CCC3[C@](C)(CNCc4ccccc4C(O)=O)CCC[C@]23C)c1

InChI Key: InChIKey=QGQQMIXPCNOORX-JOTUXTEUSA-N

Data: 3 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 3 hits for monomerid = 50280985   

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
Phospholipase A2, major isoenzyme (Sus scrofa (pig))	BDBM50280985 (2-{[((1R,4aS)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a...) Show SMILES CC(C)c1ccc2c(CCC3[C@](C)(CNCc4ccccc4C(O)=O)CCC[C@]23C)c1 |r| Show InChI InChI=1S/C28H37NO2/c1-19(2)20-10-12-24-21(16-20)11-13-25-27(3,14-7-15-28(24,25)4)18-29-17-22-8-5-6-9-23(22)26(30)31/h5-6,8-10,12,16,19,25,29H,7,11,13-15,17-18H2,1-4H3,(H,30,31)/t25?,27-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	3.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its inhibitory activity against Phospholipase A2 (PLA2)				Bioorg Med Chem Lett 3: 2087-2092 (1993) Article DOI: 10.1016/S0960-894X(01)81022-2 BindingDB Entry DOI: 10.7270/Q2G73F6K
					More data for this Ligand-Target Pair
Cyclooxygenase (Bos taurus)	BDBM50280985 (2-{[((1R,4aS)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a...) Show SMILES CC(C)c1ccc2c(CCC3[C@](C)(CNCc4ccccc4C(O)=O)CCC[C@]23C)c1 |r| Show InChI InChI=1S/C28H37NO2/c1-19(2)20-10-12-24-21(16-20)11-13-25-27(3,14-7-15-28(24,25)4)18-29-17-22-8-5-6-9-23(22)26(30)31/h5-6,8-10,12,16,19,25,29H,7,11,13-15,17-18H2,1-4H3,(H,30,31)/t25?,27-,28+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its inhibitory activity against PGS (prostaglandin synthetase).				Bioorg Med Chem Lett 3: 2087-2092 (1993) Article DOI: 10.1016/S0960-894X(01)81022-2 BindingDB Entry DOI: 10.7270/Q2G73F6K
					More data for this Ligand-Target Pair
Arachidonate 5-lipoxygenase (Rattus norvegicus)	BDBM50280985 (2-{[((1R,4aS)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a...) Show SMILES CC(C)c1ccc2c(CCC3[C@](C)(CNCc4ccccc4C(O)=O)CCC[C@]23C)c1 |r| Show InChI InChI=1S/C28H37NO2/c1-19(2)20-10-12-24-21(16-20)11-13-25-27(3,14-7-15-28(24,25)4)18-29-17-22-8-5-6-9-23(22)26(30)31/h5-6,8-10,12,16,19,25,29H,7,11,13-15,17-18H2,1-4H3,(H,30,31)/t25?,27-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for its inhibitory activity against 5-lipoxygenase				Bioorg Med Chem Lett 3: 2087-2092 (1993) Article DOI: 10.1016/S0960-894X(01)81022-2 BindingDB Entry DOI: 10.7270/Q2G73F6K
					More data for this Ligand-Target Pair