null

SMILES: [H][C@@]12CC(CCCCCCCCC(=O)OCC3OC(C(O)C3O)n3cnc4c(N)ncnc34)[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]

InChI Key: InChIKey=CKSDYJASHNGOOS-BOGYFGANSA-N

PDB links: 1 PDB ID matches this monomer.

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 = 17290   

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
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM17290 (E2-adenosine hybrid compound, 8 | EM-1745 | EM1745...) Show SMILES [H][C@@]12CC(CCCCCCCCC(=O)OCC3OC(C(O)C3O)n3cnc4c(N)ncnc34)[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C37H51N5O7/c1-37-15-14-25-24-13-11-23(43)16-21(24)10-12-26(25)27(37)17-22(33(37)47)8-6-4-2-3-5-7-9-29(44)48-18-28-31(45)32(46)36(49-28)42-20-41-30-34(38)39-19-40-35(30)42/h11,13,16,19-20,22,25-28,31-33,36,43,45-47H,2-10,12,14-15,17-18H2,1H3,(H2,38,39,40)/t22?,25-,26-,27+,28?,31?,32?,33+,36?,37+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3	-12.1	n/a	n/a	n/a	n/a	n/a	7.5	37
CHUL					Assay Description For steady-state kinetic study of hybrid inhibitors, a Fluorolog 3 instrument was used to monitor the fluorescent signal of NADPH formed during estra...				FASEB J 16: 1829-31 (2002) Article DOI: 10.1096/fj.02-0026fje BindingDB Entry DOI: 10.7270/Q23T9FGW
					More data for this Ligand-Target Pair				3D Structure (crystal)
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM17290 (E2-adenosine hybrid compound, 8 | EM-1745 | EM1745...) Show SMILES [H][C@@]12CC(CCCCCCCCC(=O)OCC3OC(C(O)C3O)n3cnc4c(N)ncnc34)[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C37H51N5O7/c1-37-15-14-25-24-13-11-23(43)16-21(24)10-12-26(25)27(37)17-22(33(37)47)8-6-4-2-3-5-7-9-29(44)48-18-28-31(45)32(46)36(49-28)42-20-41-30-34(38)39-19-40-35(30)42/h11,13,16,19-20,22,25-28,31-33,36,43,45-47H,2-10,12,14-15,17-18H2,1H3,(H2,38,39,40)/t22?,25-,26-,27+,28?,31?,32?,33+,36?,37+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	7.4	37
CHUL					Assay Description The enzymatic reaction was performed in the reaction buffer containing substrate, [14C]-estrone, and the test inhibitors. After the reaction, radiola...				FASEB J 16: 1829-31 (2002) Article DOI: 10.1096/fj.02-0026fje BindingDB Entry DOI: 10.7270/Q23T9FGW
					More data for this Ligand-Target Pair				3D Structure (crystal)