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BDBM50013008 CHEMBL2371651::{1-[1-(1-Formyl-4-guanidino-butylcarbamoyl)-2-methyl-propylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester

SMILES: [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O

InChI Key: InChIKey=PXSWHKUWTQYRPP-SYDPFBBJNA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50013008   
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
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50013008
PNG
(CHEMBL2371651 | {1-[1-(1-Formyl-4-guanidino-butylc...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1/C25H40N6O5/c1-16(2)13-20(30-25(35)36-15-18-9-6-5-7-10-18)22(33)31-21(17(3)4)23(34)29-19(14-32)11-8-12-28-24(26)27/h5-7,9-10,14,16-17,19-21H,8,11-13,15H2,1-4H3,(H,29,34)(H,30,35)(H,31,33)(H4,26,27,28)/t19-,20-,21-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.12E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of Kallikrein proteolytic enzyme


J Med Chem 33: 86-93 (1990)


Article DOI: 10.1021/jm00163a014
BindingDB Entry DOI: 10.7270/Q2028QHR
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50013008
PNG
(CHEMBL2371651 | {1-[1-(1-Formyl-4-guanidino-butylc...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1/C25H40N6O5/c1-16(2)13-20(30-25(35)36-15-18-9-6-5-7-10-18)22(33)31-21(17(3)4)23(34)29-19(14-32)11-8-12-28-24(26)27/h5-7,9-10,14,16-17,19-21H,8,11-13,15H2,1-4H3,(H,29,34)(H,30,35)(H,31,33)(H4,26,27,28)/t19-,20-,21-/s2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.14E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of trypsin


J Med Chem 33: 86-93 (1990)


Article DOI: 10.1021/jm00163a014
BindingDB Entry DOI: 10.7270/Q2028QHR
More data for this
Ligand-Target Pair
Plasmin


(Rattus norvegicus)
BDBM50013008
PNG
(CHEMBL2371651 | {1-[1-(1-Formyl-4-guanidino-butylc...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C=O
Show InChI InChI=1/C25H40N6O5/c1-16(2)13-20(30-25(35)36-15-18-9-6-5-7-10-18)22(33)31-21(17(3)4)23(34)29-19(14-32)11-8-12-28-24(26)27/h5-7,9-10,14,16-17,19-21H,8,11-13,15H2,1-4H3,(H,29,34)(H,30,35)(H,31,33)(H4,26,27,28)/t19-,20-,21-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.02E+4n/an/an/an/an/an/a



University of Arkansas

Curated by ChEMBL


Assay Description
Inhibition of plasmin


J Med Chem 33: 86-93 (1990)


Article DOI: 10.1021/jm00163a014
BindingDB Entry DOI: 10.7270/Q2028QHR
More data for this
Ligand-Target Pair