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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 558.7
BDBM50368806

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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
Endothelin-converting enzyme 1


(Rattus norvegicus (Rat))
BDBM50368806
PNG
(CHEMBL1791099)
Show SMILES CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NC[C@@H](C)O
Show InChI InChI=1S/C28H54N4O7/c1-11-17(5)23(31-26(37)24(18(6)12-2)32-27(38)39-28(8,9)10)25(36)30-20(13-16(3)4)21(34)14-22(35)29-15-19(7)33/h16-21,23-24,33-34H,11-15H2,1-10H3,(H,29,35)(H,30,36)(H,31,37)(H,32,38)/t17-,18-,19-,20+,21?,23+,24+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.


J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50368806
PNG
(CHEMBL1791099)
Show SMILES CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NC[C@@H](C)O
Show InChI InChI=1S/C28H54N4O7/c1-11-17(5)23(31-26(37)24(18(6)12-2)32-27(38)39-28(8,9)10)25(36)30-20(13-16(3)4)21(34)14-22(35)29-15-19(7)33/h16-21,23-24,33-34H,11-15H2,1-10H3,(H,29,35)(H,30,36)(H,31,37)(H,32,38)/t17-,18-,19-,20+,21?,23+,24+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 120n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of hemoglobin by commercially purchased bovine spleen cathepsin D.


J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair