Found 18 hits of ec50 data for polymerid = 7285 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212258
(GS-4997 | Selonsertib)Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(c(C)cc2F)-n2cnc(c2)C2CC2)n1 Show InChI InChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)19-5-4-6-22(28-19)29-24(33)17-10-21(15(3)9-18(17)25)31-11-20(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,28,29,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ASK1 (unknown origin) by cell based assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127405 BindingDB Entry DOI: 10.7270/Q2JQ14Q8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM394380
((S)-4-(4-cyclopropyl-1H-imidazol-1-yl)-5-(3-hydrox...)Show SMILES CC(n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CC(C)(O)C2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F Show InChI InChI=1S/C24H24F3N9O2S/c1-13(24(25,26)27)36-12-30-33-20(36)22-32-19(8-39-22)31-21(37)15-5-17(34-7-16(29-11-34)14-3-4-14)18(6-28-15)35-9-23(2,38)10-35/h5-8,11-14,38H,3-4,9-10H2,1-2H3,(H,31,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 5.21 | n/a | n/a | n/a | n/a |
Washington University
| Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive... |
J Med Chem 52: 2188-91 (2009)
BindingDB Entry DOI: 10.7270/Q2K64MD9 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212260
(CHEMBL3954836)Show SMILES CC(C)Oc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1[C@H](C)CO |r| Show InChI InChI=1S/C21H23N5O3/c1-13(2)29-16-8-7-15-10-25(21(28)17(15)9-16)19-6-4-5-18(23-19)20-24-22-12-26(20)14(3)11-27/h4-9,12-14,27H,10-11H2,1-3H3/t14-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ASK1 expressed in HEK293 cells assessed as inhibition of H2O2-induced JNK phosphorylation preincubated for 30 mins followed by H2... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481 BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212261
(CHEMBL3946139)Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(OC[C@@H]3CN(C)CCO3)cc2C1=O |r| Show InChI InChI=1S/C24H28N6O3/c1-16(2)30-15-25-27-23(30)21-5-4-6-22(26-21)29-12-17-7-8-18(11-20(17)24(29)31)33-14-19-13-28(3)9-10-32-19/h4-8,11,15-16,19H,9-10,12-14H2,1-3H3/t19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ASK1 expressed in HEK293 cells assessed as inhibition of H2O2-induced JNK phosphorylation preincubated for 30 mins followed by H2... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481 BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM394379
((S)-4-(4-cyclopropyl-1H-imidazol-1-yl)-5-morpholin...)Show SMILES CC(n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCOCC2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F Show InChI InChI=1S/C24H24F3N9O2S/c1-14(24(25,26)27)36-13-30-33-21(36)23-32-20(11-39-23)31-22(37)16-8-18(35-10-17(29-12-35)15-2-3-15)19(9-28-16)34-4-6-38-7-5-34/h8-15H,2-7H2,1H3,(H,31,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 6.74 | n/a | n/a | n/a | n/a |
Washington University
| Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive... |
J Med Chem 52: 2188-91 (2009)
BindingDB Entry DOI: 10.7270/Q2K64MD9 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM394381
((S)-4-(4-cyclopropyl-1H-imidazol-1-yl)-5-(dimethyl...)Show SMILES CC(n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N(C)C)-n2cnc(c2)C2CC2)cs1)C(F)(F)F Show InChI InChI=1S/C22H22F3N9OS/c1-12(22(23,24)25)34-11-28-31-19(34)21-30-18(9-36-21)29-20(35)14-6-16(17(7-26-14)32(2)3)33-8-15(27-10-33)13-4-5-13/h6-13H,4-5H2,1-3H3,(H,29,35) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | n/a | n/a | 7.12 | n/a | n/a | n/a | n/a |
Washington University
| Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive... |
J Med Chem 52: 2188-91 (2009)
BindingDB Entry DOI: 10.7270/Q2K64MD9 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM162311
(US10307427, Compound 2 | US9051313, 2)Show SMILES CC1(O)CN(C1)c1cnc(cc1-n1cnc(c1)C1CC1)C(=O)Nc1csc(n1)-c1nncn1C1CC1 Show InChI InChI=1S/C24H25N9O2S/c1-24(35)10-32(11-24)19-7-25-16(6-18(19)31-8-17(26-12-31)14-2-3-14)22(34)28-20-9-36-23(29-20)21-30-27-13-33(21)15-4-5-15/h6-9,12-15,35H,2-5,10-11H2,1H3,(H,28,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | n/a | n/a | 11.2 | n/a | n/a | n/a | n/a |
Washington University
| Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive... |
J Med Chem 52: 2188-91 (2009)
BindingDB Entry DOI: 10.7270/Q2K64MD9 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212254
(CHEMBL3975466)Show SMILES COCCOc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1[C@H](C)CO |r| Show InChI InChI=1S/C21H23N5O4/c1-14(12-27)26-13-22-24-20(26)18-4-3-5-19(23-18)25-11-15-6-7-16(30-9-8-29-2)10-17(15)21(25)28/h3-7,10,13-14,27H,8-9,11-12H2,1-2H3/t14-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ASK1 expressed in HEK293 cells assessed as inhibition of H2O2-induced JNK phosphorylation preincubated for 30 mins followed by H2... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481 BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM162310
(US10307427, Compound 1 | US9051313, 1)Show SMILES O=C(Nc1csc(n1)-c1nncn1C1CC1)c1cc(c(cn1)N1CCOCC1)-n1cnc(c1)C1CC1 Show InChI InChI=1S/C24H25N9O2S/c34-23(28-21-12-36-24(29-21)22-30-27-14-33(22)16-3-4-16)17-9-19(32-11-18(26-13-32)15-1-2-15)20(10-25-17)31-5-7-35-8-6-31/h9-16H,1-8H2,(H,28,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | n/a | n/a | 13.2 | n/a | n/a | n/a | n/a |
Washington University
| Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive... |
J Med Chem 52: 2188-91 (2009)
BindingDB Entry DOI: 10.7270/Q2K64MD9 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212256
(CHEMBL3966978)Show SMILES COCCOc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C(C)C Show InChI InChI=1S/C21H23N5O3/c1-14(2)26-13-22-24-20(26)18-5-4-6-19(23-18)25-12-15-7-8-16(29-10-9-28-3)11-17(15)21(25)27/h4-8,11,13-14H,9-10,12H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ASK1 expressed in HEK293 cells assessed as inhibition of H2O2-induced JNK phosphorylation preincubated for 30 mins followed by H2... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481 BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50560389
(CHEMBL4744428)Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)[C@H]2CN(CCO2)c2ccc(nc2)C2CC2)n1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of ASK1 (unknown origin) by cell based assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127405 BindingDB Entry DOI: 10.7270/Q2JQ14Q8 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212262
(CHEMBL3937245)Show SMILES CC(C)Oc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C(C)C Show InChI InChI=1S/C21H23N5O2/c1-13(2)26-12-22-24-20(26)18-6-5-7-19(23-18)25-11-15-8-9-16(28-14(3)4)10-17(15)21(25)27/h5-10,12-14H,11H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of human ASK1 expressed in HEK293 cells assessed as inhibition of H2O2-induced JNK phosphorylation preincubated for 30 mins followed by H2... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481 BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50237288
(CHEMBL4073198)Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description In vitro inhibition of porcine Dipeptidylpeptidase II. |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079 BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50237293
(CHEMBL4093878)Show InChI InChI=1S/C16H21N7O2S/c1-11(2)23-10-17-21-14(23)16-20-13(9-26-16)15(24)19-12-7-18-22(8-12)5-4-6-25-3/h7-11H,4-6H2,1-3H3,(H,19,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 65 | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description Inhibition of ASK1 (unknown origin) assessed as reduction in JNK phosphorylation by cell based assay |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079 BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50237289
(CHEMBL4086119)Show SMILES COCCNc1ccnc(NC(=O)c2csc(n2)-c2nncn2C(C)C)c1 Show InChI InChI=1S/C17H21N7O2S/c1-11(2)24-10-20-23-15(24)17-21-13(9-27-17)16(25)22-14-8-12(4-5-19-14)18-6-7-26-3/h4-5,8-11H,6-7H2,1-3H3,(H2,18,19,22,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 99 | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description Inhibition of ASK1 (unknown origin) assessed as reduction in JNK phosphorylation by cell based assay |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079 BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50237295
(CHEMBL4081134)Show SMILES CC(C)n1cnnc1-c1nc(cs1)C(=O)Nc1cnn(c1)C1COC1 Show InChI InChI=1S/C15H17N7O2S/c1-9(2)21-8-16-20-13(21)15-19-12(7-25-15)14(23)18-10-3-17-22(4-10)11-5-24-6-11/h3-4,7-9,11H,5-6H2,1-2H3,(H,18,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description Inhibition of ASK1 (unknown origin) assessed as reduction in JNK phosphorylation by cell based assay |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079 BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50237294
(CHEMBL4064613)Show SMILES COCCOc1ccnc(NC(=O)c2csc(n2)-c2nncn2C(C)C)c1 Show InChI InChI=1S/C17H20N6O3S/c1-11(2)23-10-19-22-15(23)17-20-13(9-27-17)16(24)21-14-8-12(4-5-18-14)26-7-6-25-3/h4-5,8-11H,6-7H2,1-3H3,(H,18,21,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description Inhibition of ASK1 (unknown origin) assessed as reduction in JNK phosphorylation by cell based assay |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079 BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50237290
(CHEMBL4084596)Show InChI InChI=1S/C14H17N7OS/c1-4-20-6-10(5-16-20)17-13(22)11-7-23-14(18-11)12-19-15-8-21(12)9(2)3/h5-9H,4H2,1-3H3,(H,17,22) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 600 | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description Inhibition of ASK1 (unknown origin) assessed as reduction in JNK phosphorylation by cell based assay |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079 BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this Ligand-Target Pair | |