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BDBM50276167 CHEMBL512489::Carbamic acid (4E,10E)-(8S,9S,12S,13R,14S,16R)-13,19-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-aza-bicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl ester

SMILES: CO[C@H]1CC\C=C(C)\C(=O)Nc2ccc(O)c(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(C)\[C@@H]1OC(N)=O)c2

InChI Key: InChIKey=SIXVFZKPBRDLQR-LRFOCFGISA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50276167   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM50276167
PNG
(CHEMBL512489 | Carbamic acid (4E,10E)-(8S,9S,12S,1...)
Show SMILES CO[C@H]1CC\C=C(C)\C(=O)Nc2ccc(O)c(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(C)\[C@@H]1OC(N)=O)c2
Show InChI InChI=1S/C28H42N2O7/c1-16-12-20-15-21(10-11-22(20)31)30-27(33)17(2)8-7-9-23(35-5)26(37-28(29)34)19(4)14-18(3)25(32)24(13-16)36-6/h8,10-11,14-16,18,23-26,31-32H,7,9,12-13H2,1-6H3,(H2,29,34)(H,30,33)/b17-8+,19-14+/t16-,18+,23+,24+,25-,26+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 0.800n/an/an/an/an/a



Kosan Biosciences Inc

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant Hsp90alpha N-terminal domain by isothermal titration calorimetry


J Med Chem 52: 1518-21 (2009)


Article DOI: 10.1021/jm900012a
BindingDB Entry DOI: 10.7270/Q2QN67Q8
More data for this
Ligand-Target Pair