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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Pepsinogen C' AND taxid = 10116   
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
Pepsinogen C


(Rattus norvegicus)
BDBM50017486
PNG
(2-(2-{4-Hydroxy-2,7-dimethyl-5-[3-methyl-2-(3-meth...)
Show SMILES CCC(NC(=O)[C@H](C)NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C27H50N4O7/c1-10-19(27(37)38)29-25(35)18(9)28-24(34)17(8)13-21(32)20(11-14(2)3)30-26(36)23(16(6)7)31-22(33)12-15(4)5/h14-21,23,32H,10-13H2,1-9H3,(H,28,34)(H,29,35)(H,30,36)(H,31,33)(H,37,38)/t17-,18+,19?,20+,21+,23+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
3n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Inhibition of enzyme pepsin


J Med Chem 32: 1378-92 (1989)

More data for this
Ligand-Target Pair
Pepsinogen C


(Rattus norvegicus)
BDBM50017485
PNG
(1N-[1-isopentylcarbamoyl-(1S)-ethyl]-4-[1-(1-amino...)
Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C
Show InChI InChI=1S/C26H50N4O5/c1-15(2)10-11-27-25(34)19(9)28-23(33)14-21(31)20(12-16(3)4)29-26(35)24(18(7)8)30-22(32)13-17(5)6/h15-21,24,31H,10-14H2,1-9H3,(H,27,34)(H,28,33)(H,29,35)(H,30,32)/t19-,20-,21-,24-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
3n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Inhibition of enzyme pepsin


J Med Chem 32: 1378-92 (1989)

More data for this
Ligand-Target Pair
Pepsinogen C


(Rattus norvegicus)
BDBM50017481
PNG
(2-(2-{2,7-Dimethyl-5-[3-methyl-2-(3-methyl-butyryl...)
Show SMILES CCC(NC(=O)[C@H](C)NC(=O)[C@H](C)CC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(O)=O
Show InChI InChI=1S/C27H48N4O7/c1-10-19(27(37)38)29-25(35)18(9)28-24(34)17(8)13-21(32)20(11-14(2)3)30-26(36)23(16(6)7)31-22(33)12-15(4)5/h14-20,23H,10-13H2,1-9H3,(H,28,34)(H,29,35)(H,30,36)(H,31,33)(H,37,38)/t17-,18+,19?,20+,23+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
110n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Inhibition of enzyme pepsin


J Med Chem 32: 1378-92 (1989)

More data for this
Ligand-Target Pair