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Compile Data Set for Download or QSAR

Found 870 hits with Last Name = 'kallander' and Initial = 'ls'   
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
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50458766
PNG
(CHEMBL4212386)
Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1ccc(C(=O)N[C@@H](CC(O)=O)C(O)=O)c(OCC)c1 |r|
Show InChI InChI=1S/C30H40N4O11/c1-4-7-8-9-19(22(5-2)34(43)17-35)27(38)31-16-32-29(40)24-13-12-23(45-24)18-10-11-20(25(14-18)44-6-3)28(39)33-21(30(41)42)15-26(36)37/h10-14,17,19,21-22,43H,4-9,15-16H2,1-3H3,(H,31,38)(H,32,40)(H,33,39)(H,36,37)(H,41,42)/t19-,21+,22-/m1/s1
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0.00680n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to BMP1 (unknown origin) using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5,6 TAMRA)-CONH2 as substrate preincubated for 3 hrs followed by subs...


ACS Med Chem Lett 9: 736-740 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00173
BindingDB Entry DOI: 10.7270/Q2X35127
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tolloid-like protein 1


(Homo sapiens)
BDBM50458766
PNG
(CHEMBL4212386)
Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1ccc(C(=O)N[C@@H](CC(O)=O)C(O)=O)c(OCC)c1 |r|
Show InChI InChI=1S/C30H40N4O11/c1-4-7-8-9-19(22(5-2)34(43)17-35)27(38)31-16-32-29(40)24-13-12-23(45-24)18-10-11-20(25(14-18)44-6-3)28(39)33-21(30(41)42)15-26(36)37/h10-14,17,19,21-22,43H,4-9,15-16H2,1-3H3,(H,31,38)(H,32,40)(H,33,39)(H,36,37)(H,41,42)/t19-,21+,22-/m1/s1
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0.0310n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to TLL1 (unknown origin) using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5,6 TAMRA)-CONH2 as substrate incubated for 3.5 hrs followed by subst...


ACS Med Chem Lett 9: 736-740 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00173
BindingDB Entry DOI: 10.7270/Q2X35127
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tolloid-like protein 2


(Homo sapiens)
BDBM50458766
PNG
(CHEMBL4212386)
Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1ccc(C(=O)N[C@@H](CC(O)=O)C(O)=O)c(OCC)c1 |r|
Show InChI InChI=1S/C30H40N4O11/c1-4-7-8-9-19(22(5-2)34(43)17-35)27(38)31-16-32-29(40)24-13-12-23(45-24)18-10-11-20(25(14-18)44-6-3)28(39)33-21(30(41)42)15-26(36)37/h10-14,17,19,21-22,43H,4-9,15-16H2,1-3H3,(H,31,38)(H,32,40)(H,33,39)(H,36,37)(H,41,42)/t19-,21+,22-/m1/s1
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0.0390n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to TLL2 (unknown origin) using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5,6 TAMRA)-CONH2 as substrate incubated for 3.5 hrs followed by subst...


ACS Med Chem Lett 9: 736-740 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00173
BindingDB Entry DOI: 10.7270/Q2X35127
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50458771
PNG
(CHEMBL4214046)
Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1cc(OCC)cc(c1)P(O)(O)=O |r|
Show InChI InChI=1S/C25H36N3O9P/c1-4-7-8-9-20(21(5-2)28(32)16-29)24(30)26-15-27-25(31)23-11-10-22(37-23)17-12-18(36-6-3)14-19(13-17)38(33,34)35/h10-14,16,20-21,32H,4-9,15H2,1-3H3,(H,26,30)(H,27,31)(H2,33,34,35)/t20-,21-/m1/s1
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0.0400n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to BMP1 (unknown origin) using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5,6 TAMRA)-CONH2 as substrate preincubated for 3 hrs followed by subs...


ACS Med Chem Lett 9: 736-740 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00173
BindingDB Entry DOI: 10.7270/Q2X35127
More data for this
Ligand-Target Pair
Tolloid-like protein 1


(Homo sapiens)
BDBM50458771
PNG
(CHEMBL4214046)
Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1cc(OCC)cc(c1)P(O)(O)=O |r|
Show InChI InChI=1S/C25H36N3O9P/c1-4-7-8-9-20(21(5-2)28(32)16-29)24(30)26-15-27-25(31)23-11-10-22(37-23)17-12-18(36-6-3)14-19(13-17)38(33,34)35/h10-14,16,20-21,32H,4-9,15H2,1-3H3,(H,26,30)(H,27,31)(H2,33,34,35)/t20-,21-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to TLL1 (unknown origin) using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5,6 TAMRA)-CONH2 as substrate incubated for 3.5 hrs followed by subst...


ACS Med Chem Lett 9: 736-740 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00173
BindingDB Entry DOI: 10.7270/Q2X35127
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 4 nM progesterone-stimulated transactivation of MMTV-Luc reporter in CV-1 cells expressing PR-B


Bioorg Med Chem Lett 15: 3203-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.001
BindingDB Entry DOI: 10.7270/Q2J67KP9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tolloid-like protein 2


(Homo sapiens)
BDBM50458771
PNG
(CHEMBL4214046)
Show SMILES CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1ccc(o1)-c1cc(OCC)cc(c1)P(O)(O)=O |r|
Show InChI InChI=1S/C25H36N3O9P/c1-4-7-8-9-20(21(5-2)28(32)16-29)24(30)26-15-27-25(31)23-11-10-22(37-23)17-12-18(36-6-3)14-19(13-17)38(33,34)35/h10-14,16,20-21,32H,4-9,15H2,1-3H3,(H,26,30)(H,27,31)(H2,33,34,35)/t20-,21-/m1/s1
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0.260n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to TLL2 (unknown origin) using ((5-FAM)-ELIDQYDVQRDDSSDGSLED-K(5,6 TAMRA)-CONH2 as substrate incubated for 3.5 hrs followed by subst...


ACS Med Chem Lett 9: 736-740 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00173
BindingDB Entry DOI: 10.7270/Q2X35127
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TNNI3K


(Homo sapiens (Human))
BDBM50578225
PNG
(CHEMBL4869303)
Show SMILES CNc1cc(Oc2c(Cl)cc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2Cl)ncn1
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0.540n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to full length human His-MBP-TNNI3K assessed as off-rate constant in presence of rhodamine green labeled GW805818X by fluorescence c...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00700
BindingDB Entry DOI: 10.7270/Q23X8BG9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17461
PNG
(1,2,3-triazole analogue, 17 | 5-(4-iodophenyl)-1H-...)
Show SMILES Ic1ccc(cc1)-c1c[nH]nn1
Show InChI InChI=1S/C8H6IN3/c9-7-3-1-6(2-4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
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1 -50.9n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17468
PNG
(1,2,3-triazole analogue, 24 | 5-(3,4-dibromophenyl...)
Show SMILES Brc1ccc(cc1Br)-c1c[nH]nn1
Show InChI InChI=1S/C8H5Br2N3/c9-6-2-1-5(3-7(6)10)8-4-11-13-12-8/h1-4H,(H,11,12,13)
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1 -50.9n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17460
PNG
(1,2,3-triazole analogue, 16 | 5-(4-bromophenyl)-1H...)
Show SMILES Brc1ccc(cc1)-c1c[nH]nn1
Show InChI InChI=1S/C8H6BrN3/c9-7-3-1-6(2-4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
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3 -48.2n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17474
PNG
(1,2,3-triazole analogue, 30 | 4-methyl-2-(1H-1,2,3...)
Show SMILES Cc1ccnc(c1)-c1c[nH]nn1
Show InChI InChI=1S/C8H8N4/c1-6-2-3-9-7(4-6)8-5-10-12-11-8/h2-5H,1H3,(H,10,11,12)
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3 -48.2n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17467
PNG
(1,2,3-triazole analogue, 23 | 5-(3-bromophenyl)-1H...)
Show SMILES Brc1cccc(c1)-c1c[nH]nn1
Show InChI InChI=1S/C8H6BrN3/c9-7-3-1-2-6(4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
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4 -47.5n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17473
PNG
(1,2,3-triazole analogue, 29 | 3-methyl-2-(1H-1,2,3...)
Show SMILES Cc1cccnc1-c1c[nH]nn1
Show InChI InChI=1S/C8H8N4/c1-6-3-2-4-9-8(6)7-5-10-12-11-7/h2-5H,1H3,(H,10,11,12)
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6 -46.5n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17459
PNG
(1,2,3-triazole analogue, 15 | 5-(4-chlorophenyl)-1...)
Show SMILES Clc1ccc(cc1)-c1c[nH]nn1
Show InChI InChI=1S/C8H6ClN3/c9-7-3-1-6(2-4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
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6 -46.5n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17475
PNG
(1,2,3-triazole analogue, 31 | 5-methyl-2-(1H-1,2,3...)
Show SMILES Cc1ccc(nc1)-c1c[nH]nn1
Show InChI InChI=1S/C8H8N4/c1-6-2-3-7(9-4-6)8-5-10-12-11-8/h2-5H,1H3,(H,10,11,12)
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8 -45.7n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of fluorescent ligand from binding domain of progesterone receptor


Bioorg Med Chem Lett 15: 3203-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.001
BindingDB Entry DOI: 10.7270/Q2J67KP9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17469
PNG
(1,2,3-triazole analogue, 25 | 5-(1-benzofuran-2-yl...)
Show SMILES c1[nH]nnc1-c1cc2ccccc2o1
Show InChI InChI=1S/C10H7N3O/c1-2-4-9-7(3-1)5-10(14-9)8-6-11-13-12-8/h1-6H,(H,11,12,13)
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13 -44.6n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TNNI3K


(Mus musculus)
BDBM50578225
PNG
(CHEMBL4869303)
Show SMILES CNc1cc(Oc2c(Cl)cc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2Cl)ncn1
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to full length mouse His-MBP-TNNI3K assessed as off-rate constant in presence of rhodamine green labeled GW805818X by fluorescence c...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00700
BindingDB Entry DOI: 10.7270/Q23X8BG9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17447
PNG
(1,2,3-triazole analogue, 3 | 5-(4-methylphenyl)-1H...)
Show SMILES Cc1ccc(cc1)-c1c[nH]nn1
Show InChI InChI=1S/C9H9N3/c1-7-2-4-8(5-3-7)9-6-10-12-11-9/h2-6H,1H3,(H,10,11,12)
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15 -44.2n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17466
PNG
(1,2,3-triazole analogue, 22 | 5-(3-iodophenyl)-1H-...)
Show SMILES Ic1cccc(c1)-c1c[nH]nn1
Show InChI InChI=1S/C8H6IN3/c9-7-3-1-2-6(4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
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16 -44.0n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17462
PNG
(1,2,3-triazole analogue, 18 | 5-(3-methylphenyl)-1...)
Show SMILES Cc1cccc(c1)-c1c[nH]nn1
Show InChI InChI=1S/C9H9N3/c1-7-3-2-4-8(5-7)9-6-10-12-11-9/h2-6H,1H3,(H,10,11,12)
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18 -43.8n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Progesterone receptor


(Homo sapiens (Human))
BDBM50474916
PNG
(CHEMBL364712)
Show SMILES [H][C@]1(C)CN(N=C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C16H13Cl3N2O2S/c1-10-9-21(24(22,23)13-5-3-12(17)4-6-13)20-16(10)11-2-7-14(18)15(19)8-11/h2-8,10H,9H2,1H3/t10-/m0/s1
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of fluorescent ligand from binding domain of progesterone receptor


Bioorg Med Chem Lett 15: 3203-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.001
BindingDB Entry DOI: 10.7270/Q2J67KP9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50474916
PNG
(CHEMBL364712)
Show SMILES [H][C@]1(C)CN(N=C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C16H13Cl3N2O2S/c1-10-9-21(24(22,23)13-5-3-12(17)4-6-13)20-16(10)11-2-7-14(18)15(19)8-11/h2-8,10H,9H2,1H3/t10-/m0/s1
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 4 nM progesterone-stimulated transactivation of MMTV-Luc reporter in CV-1 cells expressing PR-B


Bioorg Med Chem Lett 15: 3203-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.001
BindingDB Entry DOI: 10.7270/Q2J67KP9
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17465
PNG
(1,2,3-triazole analogue, 21 | N-benzyl-3-(1H-1,2,3...)
Show SMILES C(Nc1cccc(c1)-c1c[nH]nn1)c1ccccc1
Show InChI InChI=1S/C15H14N4/c1-2-5-12(6-3-1)10-16-14-8-4-7-13(9-14)15-11-17-19-18-15/h1-9,11,16H,10H2,(H,17,18,19)
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29 -42.6n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17455
PNG
(1,2,3-triazole analogue, 11 | 5-(4-ethylphenyl)-1H...)
Show SMILES CCc1ccc(cc1)-c1c[nH]nn1
Show InChI InChI=1S/C10H11N3/c1-2-8-3-5-9(6-4-8)10-7-11-13-12-10/h3-7H,2H2,1H3,(H,11,12,13)
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30 -42.5n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50474917
PNG
(CHEMBL366252)
Show SMILES CC1CN(N=C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 |c:4|
Show InChI InChI=1S/C16H13Cl3N2O2S/c1-10-9-21(24(22,23)13-5-3-12(17)4-6-13)20-16(10)11-2-7-14(18)15(19)8-11/h2-8,10H,9H2,1H3
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of fluorescent ligand from binding domain of progesterone receptor


Bioorg Med Chem Lett 15: 3203-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.001
BindingDB Entry DOI: 10.7270/Q2J67KP9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50474911
PNG
(CHEMBL192314)
Show SMILES CN(C)c1ccc(cc1)C1CN(N=C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 |c:13|
Show InChI InChI=1S/C23H20Cl3N3O2S/c1-28(2)18-8-3-15(4-9-18)20-14-29(32(30,31)19-10-6-17(24)7-11-19)27-23(20)16-5-12-21(25)22(26)13-16/h3-13,20H,14H2,1-2H3
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of fluorescent ligand from binding domain of progesterone receptor


Bioorg Med Chem Lett 15: 3203-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.001
BindingDB Entry DOI: 10.7270/Q2J67KP9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50474914
PNG
(CHEMBL190198)
Show SMILES CC1CC(=NN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 |c:3|
Show InChI InChI=1S/C16H13Cl3N2O2S/c1-10-8-16(11-2-7-14(18)15(19)9-11)20-21(10)24(22,23)13-5-3-12(17)4-6-13/h2-7,9-10H,8H2,1H3
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of fluorescent ligand from binding domain of progesterone receptor


Bioorg Med Chem Lett 15: 3203-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.001
BindingDB Entry DOI: 10.7270/Q2J67KP9
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17470
PNG
(1,2,3-triazole analogue, 26 | 2-(1H-1,2,3-triazol-...)
Show SMILES c1[nH]nnc1-c1ccccn1
Show InChI InChI=1S/C7H6N4/c1-2-4-8-6(3-1)7-5-9-11-10-7/h1-5H,(H,9,10,11)
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41 -41.7n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17449
PNG
(1,2,3-triazole analogue, 5 | 1H,4H-indeno[1,2-d][1...)
Show SMILES c1c2ccccc2c2n[nH][nH]c12
Show InChI InChI=1S/C9H7N3/c1-2-4-7-6(3-1)5-8-9(7)11-12-10-8/h1-5,10,12H
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52 -41.2n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17476
PNG
(1,2,3-triazole analogue, 32 | 2-methyl-6-(1H-1,2,3...)
Show SMILES Cc1cccc(n1)-c1c[nH]nn1
Show InChI InChI=1S/C8H8N4/c1-6-3-2-4-7(10-6)8-5-9-12-11-8/h2-5H,1H3,(H,9,11,12)
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52 -41.2n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17448
PNG
(1,2,3-triazole analogue, 4 | 5-phenyl-1H-1,2,3-tri...)
Show SMILES c1[nH]nnc1-c1ccccc1
Show InChI InChI=1S/C8H7N3/c1-2-4-7(5-3-1)8-6-9-11-10-8/h1-6H,(H,9,10,11)
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70 -40.4n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50474919
PNG
(CHEMBL364924)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CC(C(=N1)c1ccc(Cl)c(Cl)c1)c1ccccc1 |c:14|
Show InChI InChI=1S/C21H15Cl3N2O2S/c22-16-7-9-17(10-8-16)29(27,28)26-13-18(14-4-2-1-3-5-14)21(25-26)15-6-11-19(23)20(24)12-15/h1-12,18H,13H2
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of fluorescent ligand from binding domain of progesterone receptor


Bioorg Med Chem Lett 15: 3203-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.001
BindingDB Entry DOI: 10.7270/Q2J67KP9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50474912
PNG
(CHEMBL190264)
Show SMILES CN(C)c1ccc(cc1)[C@@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 |c:13|
Show InChI InChI=1S/C23H20Cl3N3O2S/c1-28(2)18-8-3-15(4-9-18)20-14-29(32(30,31)19-10-6-17(24)7-11-19)27-23(20)16-5-12-21(25)22(26)13-16/h3-13,20H,14H2,1-2H3/t20-/m0/s1
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of fluorescent ligand from binding domain of progesterone receptor


Bioorg Med Chem Lett 15: 3203-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.001
BindingDB Entry DOI: 10.7270/Q2J67KP9
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17452
PNG
(1,2,3-triazole analogue, 8 | 5-(2-methylphenyl)-1H...)
Show SMILES Cc1ccccc1-c1c[nH]nn1
Show InChI InChI=1S/C9H9N3/c1-7-4-2-3-5-8(7)9-6-10-12-11-9/h2-6H,1H3,(H,10,11,12)
PDB
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112 -39.3n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17453
PNG
(1,2,3-triazole analogue, 9 | 5-(2-methoxyphenyl)-1...)
Show SMILES COc1ccccc1-c1c[nH]nn1
Show InChI InChI=1S/C9H9N3O/c1-13-9-5-3-2-4-7(9)8-6-10-12-11-8/h2-6H,1H3,(H,10,11,12)
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150 -38.6n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50474914
PNG
(CHEMBL190198)
Show SMILES CC1CC(=NN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 |c:3|
Show InChI InChI=1S/C16H13Cl3N2O2S/c1-10-8-16(11-2-7-14(18)15(19)9-11)20-21(10)24(22,23)13-5-3-12(17)4-6-13/h2-7,9-10H,8H2,1H3
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 4 nM progesterone-stimulated transactivation of MMTV-Luc reporter in CV-1 cells expressing PR-B


Bioorg Med Chem Lett 15: 3203-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.001
BindingDB Entry DOI: 10.7270/Q2J67KP9
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17471
PNG
(1,2,3-triazole analogue, 27 | 3-(1H-1,2,3-triazol-...)
Show SMILES c1[nH]nnc1-c1cccnc1
Show InChI InChI=1S/C7H6N4/c1-2-6(4-8-3-1)7-5-9-11-10-7/h1-5H,(H,9,10,11)
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260 -37.2n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17464
PNG
(1,2,3-triazole analogue, 20 | 3-(1H-1,2,3-triazol-...)
Show SMILES Nc1cccc(c1)-c1c[nH]nn1
Show InChI InChI=1S/C8H8N4/c9-7-3-1-2-6(4-7)8-5-10-12-11-8/h1-5H,9H2,(H,10,11,12)
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280 -37.0n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17450
PNG
(4-(4-methylphenyl)-1H-pyrazole | pyrazole analogue...)
Show SMILES Cc1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C10H10N2/c1-8-2-4-9(5-3-8)10-6-11-12-7-10/h2-7H,1H3,(H,11,12)
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280 -37.0n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17463
PNG
(1,2,3-triazole analogue, 19 | 3-(1H-1,2,3-triazol-...)
Show SMILES Oc1cccc(c1)-c1c[nH]nn1
Show InChI InChI=1S/C8H7N3O/c12-7-3-1-2-6(4-7)8-5-9-11-10-8/h1-5,12H,(H,9,10,11)
PDB
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300 -36.9n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17458
PNG
(1,2,3-triazole analogue, 14 | 4-(1H-1,2,3-triazol-...)
Show SMILES Nc1ccc(cc1)-c1c[nH]nn1
Show InChI InChI=1S/C8H8N4/c9-7-3-1-6(2-4-7)8-5-10-12-11-8/h1-5H,9H2,(H,10,11,12)
PDB
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PubMed
337 -36.6n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50474915
PNG
(CHEMBL190900)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1N=C(CC1c1ccccc1)c1ccc(Cl)c(Cl)c1 |c:12|
Show InChI InChI=1S/C21H15Cl3N2O2S/c22-16-7-9-17(10-8-16)29(27,28)26-21(14-4-2-1-3-5-14)13-20(25-26)15-6-11-18(23)19(24)12-15/h1-12,21H,13H2
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 4 nM progesterone-stimulated transactivation of MMTV-Luc reporter in CV-1 cells expressing PR-B


Bioorg Med Chem Lett 15: 3203-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.001
BindingDB Entry DOI: 10.7270/Q2J67KP9
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50474911
PNG
(CHEMBL192314)
Show SMILES CN(C)c1ccc(cc1)C1CN(N=C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 |c:13|
Show InChI InChI=1S/C23H20Cl3N3O2S/c1-28(2)18-8-3-15(4-9-18)20-14-29(32(30,31)19-10-6-17(24)7-11-19)27-23(20)16-5-12-21(25)22(26)13-16/h3-13,20H,14H2,1-2H3
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794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 4 nM progesterone-stimulated transactivation of MMTV-Luc reporter in CV-1 cells expressing PR-B


Bioorg Med Chem Lett 15: 3203-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.001
BindingDB Entry DOI: 10.7270/Q2J67KP9
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17454
PNG
(1,2,3-triazole analogue, 10 | 5-(2-phenylphenyl)-1...)
Show SMILES c1[nH]nnc1-c1ccccc1-c1ccccc1
Show InChI InChI=1S/C14H11N3/c1-2-6-11(7-3-1)12-8-4-5-9-13(12)14-10-15-17-16-14/h1-10H,(H,15,16,17)
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>1.00E+3>-33.9n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17457
PNG
(1,2,3-triazole analogue, 13 | 4-(1H-1,2,3-triazol-...)
Show SMILES Oc1ccc(cc1)-c1c[nH]nn1
Show InChI InChI=1S/C8H7N3O/c12-7-3-1-6(2-4-7)8-5-9-11-10-8/h1-5,12H,(H,9,10,11)
PDB
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PubMed
>1.00E+3>-33.9n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17472
PNG
(1,2,3-triazole analogue, 28 | 4-(1H-1,2,3-triazol-...)
Show SMILES c1[nH]nnc1-c1ccncc1
Show InChI InChI=1S/C7H6N4/c1-3-8-4-2-6(1)7-5-9-11-10-7/h1-5H,(H,9,10,11)
PDB
MMDB

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PubMed
>1.00E+3>-33.9n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17456
PNG
(1,2,3-triazole analogue, 12 | 5-(4-propylphenyl)-1...)
Show SMILES CCCc1ccc(cc1)-c1c[nH]nn1
Show InChI InChI=1S/C11H13N3/c1-2-3-9-4-6-10(7-5-9)11-8-12-14-13-11/h4-8H,2-3H2,1H3,(H,12,13,14)
PDB
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PubMed
>1.00E+3>-33.9n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50474912
PNG
(CHEMBL190264)
Show SMILES CN(C)c1ccc(cc1)[C@@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 |c:13|
Show InChI InChI=1S/C23H20Cl3N3O2S/c1-28(2)18-8-3-15(4-9-18)20-14-29(32(30,31)19-10-6-17(24)7-11-19)27-23(20)16-5-12-21(25)22(26)13-16/h3-13,20H,14H2,1-2H3/t20-/m0/s1
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1.59E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of 4 nM progesterone-stimulated transactivation of MMTV-Luc reporter in CV-1 cells expressing PR-B


Bioorg Med Chem Lett 15: 3203-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.001
BindingDB Entry DOI: 10.7270/Q2J67KP9
More data for this
Ligand-Target Pair
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