BDBM25465 (1R,2R,5S,6S,10S,13S,15R)-5-acetyl-13-hydroxy-6,10-dimethylpentacyclo[13.2.2.0^{1,9}.0^{2,6}.0^{10,15}]nonadeca-8,18-diene-16,17-dicarboxylic acid::NSC9746

SMILES: [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@]33C=C[C@]21C(C3C(O)=O)C(O)=O

InChI Key: InChIKey=NEZTUQCJKXTWFV-JIQJOFIQSA-N

Data: 1 Kd

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 = 25465   

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
Adenosine Phosphosulfate Reductase (APSR) (Mycobacterium tuberculosis)	BDBM25465 ((1R,2R,5S,6S,10S,13S,15R)-5-acetyl-13-hydroxy-6,10...) Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@]33C=C[C@]21C(C3C(O)=O)C(O)=O |c:23,t:12,THB:15:13:24.25:22.21,11:12:24.25:22.21,14:13:24.25:22.21| Show InChI InChI=1S/C25H32O6/c1-13(26)15-4-5-16-22(15,2)8-7-17-23(3)9-6-14(27)12-24(23)10-11-25(16,17)19(21(30)31)18(24)20(28)29/h7,10-11,14-16,18-19,27H,4-6,8-9,12H2,1-3H3,(H,28,29)(H,30,31)/t14-,15+,16+,18?,19?,22+,23+,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.27E+5	n/a	n/a	n/a	7.5	30
The Scripps Research Institute					Assay Description Values of Ki were determined from the dependence of the observed rate constant (kobs) on inhibitor concentration. With subsaturing APS, the inhibit...				J Med Chem 51: 6627-30 (2008) Article DOI: 10.1021/jm800571m BindingDB Entry DOI: 10.7270/Q2PK0DFG
					More data for this Ligand-Target Pair