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PubMed code 17935298

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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
Plasminogen


(Homo sapiens (Human))		BDBM50224807
PNG
(CHEMBL400366 | cyclo(Pro-Gly-Leu-Val-Met-Phe-Gly-V...)
Show SMILES CSCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC1=O)C(C)C)C(C)C
Show InChI InChI=1S/C39H60N8O8S/c1-22(2)18-27-36(52)46-32(23(3)4)38(54)43-26(15-17-56-7)35(51)44-28(19-25-12-9-8-10-13-25)34(50)40-21-31(49)45-33(24(5)6)39(55)47-16-11-14-29(47)37(53)41-20-30(48)42-27/h8-10,12-13,22-24,26-29,32-33H,11,14-21H2,1-7H3,(H,40,50)(H,41,53)(H,42,48)(H,43,54)(H,44,51)(H,45,49)(H,46,52)/t26-,27-,28-,29-,32-,33-/m0/s1
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Article
PubMed
n/an/a 7.80E+4n/an/an/an/an/an/a



University of Zürich

Curated by ChEMBL


Assay Description
Inhibition of plasmin

J Nat Prod 70: 1611-5 (2007)


Article DOI: 10.1021/np0700873
BindingDB Entry DOI: 10.7270/Q23N233F
More data for this
Ligand-Target Pair
Caspase-8


(Homo sapiens (Human))		BDBM50224807
PNG
(CHEMBL400366 | cyclo(Pro-Gly-Leu-Val-Met-Phe-Gly-V...)
Show SMILES CSCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC1=O)C(C)C)C(C)C
Show InChI InChI=1S/C39H60N8O8S/c1-22(2)18-27-36(52)46-32(23(3)4)38(54)43-26(15-17-56-7)35(51)44-28(19-25-12-9-8-10-13-25)34(50)40-21-31(49)45-33(24(5)6)39(55)47-16-11-14-29(47)37(53)41-20-30(48)42-27/h8-10,12-13,22-24,26-29,32-33H,11,14-21H2,1-7H3,(H,40,50)(H,41,53)(H,42,48)(H,43,54)(H,44,51)(H,45,49)(H,46,52)/t26-,27-,28-,29-,32-,33-/m0/s1
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PubMed
n/an/a 9.30E+4n/an/an/an/an/an/a



University of Zürich

Curated by ChEMBL


Assay Description
Inhibition of human recombinant caspase 8 expressed in Escherichia coli

J Nat Prod 70: 1611-5 (2007)


Article DOI: 10.1021/np0700873
BindingDB Entry DOI: 10.7270/Q23N233F
More data for this
Ligand-Target Pair
Cathepsin B


(Bos taurus (bovine))		BDBM50224807
PNG
(CHEMBL400366 | cyclo(Pro-Gly-Leu-Val-Met-Phe-Gly-V...)
Show SMILES CSCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC1=O)C(C)C)C(C)C
Show InChI InChI=1S/C39H60N8O8S/c1-22(2)18-27-36(52)46-32(23(3)4)38(54)43-26(15-17-56-7)35(51)44-28(19-25-12-9-8-10-13-25)34(50)40-21-31(49)45-33(24(5)6)39(55)47-16-11-14-29(47)37(53)41-20-30(48)42-27/h8-10,12-13,22-24,26-29,32-33H,11,14-21H2,1-7H3,(H,40,50)(H,41,53)(H,42,48)(H,43,54)(H,44,51)(H,45,49)(H,46,52)/t26-,27-,28-,29-,32-,33-/m0/s1
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PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



University of Zürich

Curated by ChEMBL


Assay Description
Inhibition of bovine Cathepsin B

J Nat Prod 70: 1611-5 (2007)


Article DOI: 10.1021/np0700873
BindingDB Entry DOI: 10.7270/Q23N233F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%