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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50038886   
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
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (Human))
BDBM17847
PNG
(CHEMBL327579 | pyridine-2-carboxylic acid inhibito...)
Show SMILES CC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc1nccs1
Show InChI InChI=1S/C14H16N4O3S/c1-14(2,3)21-13(20)17-9-5-4-6-15-10(9)11(19)18-12-16-7-8-22-12/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of methionine aminopeptidase 1


J Nat Prod 72: 588-603 (2010)


Article DOI: 10.1021/np800817y
BindingDB Entry DOI: 10.7270/Q2765G84
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (Human))
BDBM50295174
PNG
(Bengamide A | CHEMBL256279)
Show SMILES CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@H](NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1 |r|
Show InChI InChI=1S/C31H56N2O8/c1-5-6-7-8-9-10-11-12-13-14-15-16-26(35)41-23-18-19-24(30(38)32-21-23)33-31(39)29(40-4)28(37)27(36)25(34)20-17-22(2)3/h17,20,22-25,27-29,34,36-37H,5-16,18-19,21H2,1-4H3,(H,32,38)(H,33,39)/b20-17+/t23-,24-,25+,27-,28+,29+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of methionine aminopeptidase 1


J Nat Prod 72: 588-603 (2010)


Article DOI: 10.1021/np800817y
BindingDB Entry DOI: 10.7270/Q2765G84
More data for this
Ligand-Target Pair
Methionine Aminopeptidase Type 1 (MetAP1)


(Homo sapiens (Human))
BDBM50295173
PNG
(Bengamide O | CHEMBL539894)
Show SMILES CCC(C)CCCCCCCCCCC(=O)O[C@H]1CC[C@H](NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)N(C)C1 |r|
Show InChI InChI=1S/C33H60N2O8/c1-7-24(4)16-14-12-10-8-9-11-13-15-17-28(37)43-25-19-20-26(33(41)35(5)22-25)34-32(40)31(42-6)30(39)29(38)27(36)21-18-23(2)3/h18,21,23-27,29-31,36,38-39H,7-17,19-20,22H2,1-6H3,(H,34,40)/b21-18+/t24?,25-,26-,27+,29-,30+,31+/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of California Santa Cruz

Curated by ChEMBL


Assay Description
Inhibition of methionine aminopeptidase 1


J Nat Prod 72: 588-603 (2010)


Article DOI: 10.1021/np800817y
BindingDB Entry DOI: 10.7270/Q2765G84
More data for this
Ligand-Target Pair