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BDBM50342966 CHEMBL1770638::rac-(2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)-4-(6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)-2,3-dihydroxy-4-oxobutanamide

SMILES: COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1

InChI Key: InChIKey=LWPLUEZJXCPLQV-UHQYVANJSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50342966   
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
ADAM17


(Homo sapiens (Human))
BDBM50342966
PNG
(CHEMBL1770638 | rac-(2R,3R)-N-((R)-1-(4-(1H-pyrazo...)
Show SMILES COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1 |r|
Show InChI InChI=1S/C32H34N4O6/c1-20(21-10-12-24(13-11-21)36-16-7-15-33-36)34-31(39)29(37)30(38)32(40)35-17-14-23-18-26(41-2)27(42-3)19-25(23)28(35)22-8-5-4-6-9-22/h4-13,15-16,18-20,28-30,37-38H,14,17H2,1-3H3,(H,34,39)/t20-,28?,29-,30-/m1/s1
PDB
MMDB

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Article
PubMed
0.900n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TACE


Bioorg Med Chem Lett 21: 3172-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.002
BindingDB Entry DOI: 10.7270/Q28P60T1
More data for this
Ligand-Target Pair