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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Similar to alpha-tubulin isoform 1' and Ligand = 'BDBM50230727'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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)		BDBM50230727
PNG
(CHEMBL552576)
Show SMILES Cl.[H][C@@]12C(COC1=O)[C@H](CCN(C)CCCCCC)c1cc3OCOc3cc1[C@H]2c1cc(OC)c(O)c(OC)c1 |r|
Show InChI InChI=1S/C30H39NO7.ClH/c1-5-6-7-8-10-31(2)11-9-19-20-14-23-24(38-17-37-23)15-21(20)27(28-22(19)16-36-30(28)33)18-12-25(34-3)29(32)26(13-18)35-4;/h12-15,19,22,27-28,32H,5-11,16-17H2,1-4H3;1H/t19-,22?,27-,28+;/m1./s1
PDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a>1.67E+5n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for antagonist activityt against NK-2 receptor in rabbit pulmonary artery by using Neurokinin A as agonist

J Med Chem 36: 1689-99 (1993)


BindingDB Entry DOI: 10.7270/Q2TB194D
More data for this
Ligand-Target Pair