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BDBM50509324 CHEMBL4463460

SMILES: [H][C@]12C=C(COC(=O)[C@]1([H])[C@](O)(COC(=O)C1=C[C@]3([H])[C@H](CC[C@@](O)(COC(=O)C(\CO)=C\[C@@H]4[C@H](CCC5=C4C(=O)OC5)C(C)C)[C@@]3([H])C(=O)OC1)C(C)C)CC[C@@H]2C(C)C)C(O)=O

InChI Key: InChIKey=YWJHSQZZKWLTCN-FEQABAOJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50509324   
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
Cytochrome P450 11A1


(Rattus norvegicus)		BDBM50509324
PNG
(CHEMBL4463460)
Show SMILES [H][C@]12C=C(COC(=O)[C@]1([H])[C@](O)(COC(=O)C1=C[C@]3([H])[C@H](CC[C@@](O)(COC(=O)C(\CO)=C\[C@@H]4[C@H](CCC5=C4C(=O)OC5)C(C)C)[C@@]3([H])C(=O)OC1)C(C)C)CC[C@@H]2C(C)C)C(O)=O |r,c:2,38,t:17|
Show InChI InChI=1S/C45H60O15/c1-22(2)29-8-7-25-17-56-41(51)35(25)32(29)13-26(16-46)39(49)59-20-44(54)12-10-31(24(5)6)34-15-28(19-58-43(53)37(34)44)40(50)60-21-45(55)11-9-30(23(3)4)33-14-27(38(47)48)18-57-42(52)36(33)45/h13-15,22-24,29-34,36-37,46,54-55H,7-12,16-21H2,1-6H3,(H,47,48)/b26-13+/t29-,30-,31-,32-,33-,34-,36-,37-,44-,45-/m1/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antibacterial activity against vancomycin-resistant Enterococcus faecalis AUS-RBWH-VRE-01 assessed as reduction in fungal growth incubated for 24 hrs...

J Nat Prod 82: 3165-3175 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00760
More data for this
Ligand-Target Pair