BDBM50320385 (4aR,6aR,12bS)-4,4,6a,12b-Tetramethyl-1,4a,5,6,6a,12,12a,12b-octahydro-2H,4H-6b-aza-benzo[5,6]pentaleno[2,1-b]naphthalen-3-one::CHEMBL1082691

SMILES: C[C@@]12CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)C1Cc1cc3ccccc3n21

InChI Key: InChIKey=NEPLKJAINOWIJL-IZZOUOQSSA-N

Data: 1 KI  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 3 hits for monomerid = 50320385   

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
6-phospho-1-fructokinase (Trypanosoma brucei)	BDBM50320385 ((4aR,6aR,12bS)-4,4,6a,12b-Tetramethyl-1,4a,5,6,6a,...) Show SMILES C[C@@]12CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)C1Cc1cc3ccccc3n21 |r| Show InChI InChI=1S/C23H29NO/c1-21(2)18-9-12-23(4)19(22(18,3)11-10-20(21)25)14-16-13-15-7-5-6-8-17(15)24(16)23/h5-8,13,18-19H,9-12,14H2,1-4H3/t18-,19?,22-,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Yaound£ I Curated by ChEMBL					Assay Description Competitive reversible inhibition of Trypanosoma brucei PFK expressed in Escherichia coli using fructose-6-phosphate by spectrophotometry analysis				Bioorg Med Chem Lett 20: 3495-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.145 BindingDB Entry DOI: 10.7270/Q2HH6K8B
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase A (Oryctolagus cuniculus)	BDBM50320385 ((4aR,6aR,12bS)-4,4,6a,12b-Tetramethyl-1,4a,5,6,6a,...) Show SMILES C[C@@]12CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)C1Cc1cc3ccccc3n21 |r| Show InChI InChI=1S/C23H29NO/c1-21(2)18-9-12-23(4)19(22(18,3)11-10-20(21)25)14-16-13-15-7-5-6-8-17(15)24(16)23/h5-8,13,18-19H,9-12,14H2,1-4H3/t18-,19?,22-,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Yaound£ I Curated by ChEMBL					Assay Description Inhibition of rabbit muscle aldolase				Bioorg Med Chem Lett 20: 3495-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.145 BindingDB Entry DOI: 10.7270/Q2HH6K8B
					More data for this Ligand-Target Pair
6-phospho-1-fructokinase (Trypanosoma brucei)	BDBM50320385 ((4aR,6aR,12bS)-4,4,6a,12b-Tetramethyl-1,4a,5,6,6a,...) Show SMILES C[C@@]12CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)C1Cc1cc3ccccc3n21 |r| Show InChI InChI=1S/C23H29NO/c1-21(2)18-9-12-23(4)19(22(18,3)11-10-20(21)25)14-16-13-15-7-5-6-8-17(15)24(16)23/h5-8,13,18-19H,9-12,14H2,1-4H3/t18-,19?,22-,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Yaound£ I Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei PFK expressed in Escherichia coli				Bioorg Med Chem Lett 20: 3495-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.145 BindingDB Entry DOI: 10.7270/Q2HH6K8B
					More data for this Ligand-Target Pair