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SMILES: CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1C(=O)O[C@@H](C(C)C)C(=O)N1[C@@H](Cc2ccccc2)C(OC)=CC1=O)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C

InChI Key: InChIKey=RDVNSQQWWPAKGB-LDAVOARVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50472222   
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
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50472222
PNG
(CHEMBL608244)
Show SMILES CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1C(=O)O[C@@H](C(C)C)C(=O)N1[C@@H](Cc2ccccc2)C(OC)=CC1=O)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C |r,c:36|
Show InChI InChI=1S/C44H69N5O9/c1-14-29(8)39(47(11)42(53)37(26(2)3)45-41(52)38(27(4)5)46(9)10)34(57-13)25-35(50)48-22-18-21-31(48)44(55)58-40(28(6)7)43(54)49-32(33(56-12)24-36(49)51)23-30-19-16-15-17-20-30/h15-17,19-20,24,26-29,31-32,34,37-40H,14,18,21-23,25H2,1-13H3,(H,45,52)/t29-,31-,32-,34+,37-,38-,39-,40-/m0/s1
UniProtKB/TrEMBL

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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



UPR 9023 CNRS

Curated by ChEMBL


Assay Description
In vitro inhibition of tubulin polymerization measured as turbidity formed by centrifugation

J Med Chem 41: 1524-30 (1998)


Article DOI: 10.1021/jm970800t
BindingDB Entry DOI: 10.7270/Q2MW2KV5
More data for this
Ligand-Target Pair