BDBM50269527 (1S,2R,4aR,4bR,6S,6aS,6bS,7R,9aS,10aR,12aR)-2-Acetoxy-6-hydroxy-1,4a,6a,10a-tetramethyl-7-(4-methyl-2-oxo-pent-3-enyl)-8-oxo-2,3,4,4a,4b,5,6,6a,6b,7,8,9a,10,10a,12,12a-hexadecahydro-1H-9-oxa-pentaleno[2,1-a]phenanthrene-1-carboxylic acid::CHEMBL499564

SMILES: [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6@@H]-1-[#6@@H]2-[#6@H](-[#6][C@]3([#6])[#6]-4=[#6]-[#6]-[#6@@H]5[C@]([#6])([#6]-[#6]-[#6@@H](-[#8]-[#6](-[#6])=O)[C@@]5([#6])[#6](-[#8])=O)[#6@H]-4-[#6]-[#6@H](-[#8])[C@@]23[#6])-[#8]-[#6]-1=O

InChI Key: InChIKey=PGGDNFLHYMDIRS-QYWQWFLASA-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 = 50269527   

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
Prothrombin (Homo sapiens (Human))	BDBM50269527 ((1S,2R,4aR,4bR,6S,6aS,6bS,7R,9aS,10aR,12aR)-2-Acet...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6@@H]-1-[#6@@H]2-[#6@H](-[#6][C@]3([#6])[#6]-4=[#6]-[#6]-[#6@@H]5[C@]([#6])([#6]-[#6]-[#6@@H](-[#8]-[#6](-[#6])=O)[C@@]5([#6])[#6](-[#8])=O)[#6@H]-4-[#6]-[#6@H](-[#8])[C@@]23[#6])-[#8]-[#6]-1=O |r,t:13| Show InChI InChI=1S/C32H44O8/c1-16(2)12-18(34)13-19-26-22(40-27(19)36)15-30(5)20-8-9-23-29(4,21(20)14-24(35)32(26,30)7)11-10-25(39-17(3)33)31(23,6)28(37)38/h8,12,19,21-26,35H,9-11,13-15H2,1-7H3,(H,37,38)/t19-,21+,22+,23-,24+,25-,26-,29-,30-,31+,32+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Research and Development Curated by ChEMBL					Assay Description Inhibition of human thrombin by fibrinogen-clot assay				J Nat Prod 61: 1328-31 (1999) Article DOI: 10.1021/np970464j BindingDB Entry DOI: 10.7270/Q2X63MQ2
					More data for this Ligand-Target Pair