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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cadherin-2' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Cadherin-2


(Homo sapiens)
BDBM50339160
PNG
(CHEMBL1689350 | N-Ac-CHAVDC-NH2)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC1=O)C(N)=O)NC(C)=O
Show InChI InChI=1S/C26H39N9O9S2/c1-11(2)20-26(44)33-16(6-19(37)38)24(42)34-17(21(27)39)8-45-46-9-18(31-13(4)36)25(43)32-15(5-14-7-28-10-29-14)23(41)30-12(3)22(40)35-20/h7,10-12,15-18,20H,5-6,8-9H2,1-4H3,(H2,27,39)(H,28,29)(H,30,41)(H,31,36)(H,32,43)(H,33,44)(H,34,42)(H,35,40)(H,37,38)/t12-,15-,16-,17-,18-,20-/m0/s1
PDB
MMDB

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



CSIRO Materials Science and Engineering

Curated by ChEMBL


Assay Description
Antagonist activity at N-cadherin


Citation and Details
More data for this
Ligand-Target Pair