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PubMed code 25365140

Compile data set for download or QSAR
Found 5 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
Myeloblastin


(Homo sapiens (Human))		BDBM50031630
PNG
(CHEMBL3359765)
Show SMILES CCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1N)C(C)C)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |r|
Show InChI InChI=1S/C54H71N13O19/c1-6-9-36(60-52(80)40(26-45(73)74)63-48(76)29(5)59-54(82)46(27(2)3)65-49(77)33-10-7-8-11-34(33)55)42(69)22-28(4)47(75)62-39(25-44(71)72)53(81)64-38(23-30-12-15-32(68)16-13-30)51(79)61-37(18-19-43(56)70)50(78)58-21-20-57-35-17-14-31(66(83)84)24-41(35)67(85)86/h7-8,10-17,24,27-29,36-40,46,57,68H,6,9,18-23,25-26,55H2,1-5H3,(H2,56,70)(H,58,78)(H,59,82)(H,60,80)(H,61,79)(H,62,75)(H,63,76)(H,64,81)(H,65,77)(H,71,72)(H,73,74)/t28-,29+,36+,37+,38+,39+,40+,46+/m1/s1
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PubMed
 1.50E+3n/an/an/an/an/an/an/an/a



University of Bergen

Curated by ChEMBL


Assay Description
Inhibition of human PR3 using keto-D-DY-FRET as substrate

J Med Chem 57: 9396-408 (2014)


Article DOI: 10.1021/jm500782s
BindingDB Entry DOI: 10.7270/Q2VQ349F
More data for this
Ligand-Target Pair
Myeloblastin


(Homo sapiens (Human))		BDBM50031630
PNG
(CHEMBL3359765)
Show SMILES CCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1N)C(C)C)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |r|
Show InChI InChI=1S/C54H71N13O19/c1-6-9-36(60-52(80)40(26-45(73)74)63-48(76)29(5)59-54(82)46(27(2)3)65-49(77)33-10-7-8-11-34(33)55)42(69)22-28(4)47(75)62-39(25-44(71)72)53(81)64-38(23-30-12-15-32(68)16-13-30)51(79)61-37(18-19-43(56)70)50(78)58-21-20-57-35-17-14-31(66(83)84)24-41(35)67(85)86/h7-8,10-17,24,27-29,36-40,46,57,68H,6,9,18-23,25-26,55H2,1-5H3,(H2,56,70)(H,58,78)(H,59,82)(H,60,80)(H,61,79)(H,62,75)(H,63,76)(H,64,81)(H,65,77)(H,71,72)(H,73,74)/t28-,29+,36+,37+,38+,39+,40+,46+/m1/s1
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n/an/a 530n/an/an/an/an/an/a



University of Bergen

Curated by ChEMBL


Assay Description
Inhibition of human PR3 using keto-D-DY-FRET as substrate after 30 mins by HPLC analysis

J Med Chem 57: 9396-408 (2014)


Article DOI: 10.1021/jm500782s
BindingDB Entry DOI: 10.7270/Q2VQ349F
More data for this
Ligand-Target Pair
Myeloblastin


(Homo sapiens (Human))		BDBM50031630
PNG
(CHEMBL3359765)
Show SMILES CCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1N)C(C)C)C(=O)C[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |r|
Show InChI InChI=1S/C54H71N13O19/c1-6-9-36(60-52(80)40(26-45(73)74)63-48(76)29(5)59-54(82)46(27(2)3)65-49(77)33-10-7-8-11-34(33)55)42(69)22-28(4)47(75)62-39(25-44(71)72)53(81)64-38(23-30-12-15-32(68)16-13-30)51(79)61-37(18-19-43(56)70)50(78)58-21-20-57-35-17-14-31(66(83)84)24-41(35)67(85)86/h7-8,10-17,24,27-29,36-40,46,57,68H,6,9,18-23,25-26,55H2,1-5H3,(H2,56,70)(H,58,78)(H,59,82)(H,60,80)(H,61,79)(H,62,75)(H,63,76)(H,64,81)(H,65,77)(H,71,72)(H,73,74)/t28-,29+,36+,37+,38+,39+,40+,46+/m1/s1
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PubMed
n/an/a 1.91E+3n/an/an/an/an/an/a



University of Bergen

Curated by ChEMBL


Assay Description
Inhibition of human PR3 using D-DY-FRET as substrate after 30 mins by HPLC analysis

J Med Chem 57: 9396-408 (2014)


Article DOI: 10.1021/jm500782s
BindingDB Entry DOI: 10.7270/Q2VQ349F
More data for this
Ligand-Target Pair
Myeloblastin


(Homo sapiens (Human))		BDBM50031631
PNG
(CHEMBL3359767)
Show SMILES CCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1N)C(C)C)C(=O)C[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)NCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |r|
Show InChI InChI=1S/C52H77N17O17/c1-6-10-33(62-50(81)37(25-41(55)72)66-45(76)28(5)61-51(82)43(26(2)3)67-46(77)30-11-7-8-12-31(30)53)39(70)23-27(4)44(75)63-36(17-19-42(73)74)49(80)64-34(13-9-20-60-52(56)57)48(79)65-35(16-18-40(54)71)47(78)59-22-21-58-32-15-14-29(68(83)84)24-38(32)69(85)86/h7-8,11-12,14-15,24,26-28,33-37,43,58H,6,9-10,13,16-23,25,53H2,1-5H3,(H2,54,71)(H2,55,72)(H,59,78)(H,61,82)(H,62,81)(H,63,75)(H,64,80)(H,65,79)(H,66,76)(H,67,77)(H,73,74)(H4,56,57,60)/t27-,28+,33+,34+,35+,36+,37+,43+/m1/s1
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PubMed
n/an/a 1.04E+4n/an/an/an/an/an/a



University of Bergen

Curated by ChEMBL


Assay Description
Inhibition of human PR3 using D-DY-FRET as substrate after 30 mins by HPLC analysis

J Med Chem 57: 9396-408 (2014)


Article DOI: 10.1021/jm500782s
BindingDB Entry DOI: 10.7270/Q2VQ349F
More data for this
Ligand-Target Pair
Myeloblastin


(Homo sapiens (Human))		BDBM50171289
PNG
(Benzenemethanesulfonyl fluoride | CHEMBL190503 | P...)
Show SMILES FS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
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UniChem

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Article
PubMed
n/an/a 1.92E+4n/an/an/an/an/an/a



University of Bergen

Curated by ChEMBL


Assay Description
Inhibition of human PR3 using D-DY-FRET as substrate after 30 mins by HPLC analysis

J Med Chem 57: 9396-408 (2014)


Article DOI: 10.1021/jm500782s
BindingDB Entry DOI: 10.7270/Q2VQ349F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%