Found 156 hits with Last Name = 'weldon' and Initial = 's' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Serine/threonine-protein kinase WNK1 [166-489]
(Homo sapiens (Human)) | BDBM203827
(N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-...)Show SMILES CC(C)(C)NC(=O)c1cncn1C1CCN(CC1)c1ccc(cc1)-c1nnc(o1)C(F)(F)F Show InChI InChI=1S/C22H25F3N6O2/c1-21(2,3)27-18(32)17-12-26-13-31(17)16-8-10-30(11-9-16)15-6-4-14(5-7-15)19-28-29-20(33-19)22(23,24)25/h4-7,12-13,16H,8-11H2,1-3H3,(H,27,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | 7.3 | 25 |
Novartis Institutes
| Assay Description Each well of the MBP-coated ScintiPlates held 100 ul of a solution containing 20 mM HEPES pH 7.3, 5 mM MnCl2 (WNK1 and WNK4) or 3 mM MnCl2 (WNK2 and ... |
Nat Chem Biol 12: 896-898 (2016)
Article DOI: 10.1038/nchembio.2168 BindingDB Entry DOI: 10.7270/Q2ZK5FH5 |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11694
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from Caco-2 cells |
J Med Chem 45: 2362-5 (2002)
BindingDB Entry DOI: 10.7270/Q2930SHP |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM11694
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from rat plasma |
J Med Chem 45: 2362-5 (2002)
BindingDB Entry DOI: 10.7270/Q2930SHP |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11694
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from human plasma |
J Med Chem 45: 2362-5 (2002)
BindingDB Entry DOI: 10.7270/Q2930SHP |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1 [1-491]
(Homo sapiens (Human)) | BDBM203827
(N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-...)Show SMILES CC(C)(C)NC(=O)c1cncn1C1CCN(CC1)c1ccc(cc1)-c1nnc(o1)C(F)(F)F Show InChI InChI=1S/C22H25F3N6O2/c1-21(2,3)27-18(32)17-12-26-13-31(17)16-8-10-30(11-9-16)15-6-4-14(5-7-15)19-28-29-20(33-19)22(23,24)25/h4-7,12-13,16H,8-11H2,1-3H3,(H,27,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | 7.3 | 25 |
Novartis Institutes
| Assay Description Each well of the MBP-coated ScintiPlates held 100 ul of a solution containing 20 mM HEPES pH 7.3, 5 mM MnCl2 (WNK1 and WNK4) or 3 mM MnCl2 (WNK2 and ... |
Nat Chem Biol 12: 896-898 (2016)
Article DOI: 10.1038/nchembio.2168 BindingDB Entry DOI: 10.7270/Q2ZK5FH5 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1 [1-434]
(Homo sapiens (Human)) | BDBM203827
(N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-...)Show SMILES CC(C)(C)NC(=O)c1cncn1C1CCN(CC1)c1ccc(cc1)-c1nnc(o1)C(F)(F)F Show InChI InChI=1S/C22H25F3N6O2/c1-21(2,3)27-18(32)17-12-26-13-31(17)16-8-10-30(11-9-16)15-6-4-14(5-7-15)19-28-29-20(33-19)22(23,24)25/h4-7,12-13,16H,8-11H2,1-3H3,(H,27,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | 7.3 | 25 |
Novartis Institutes
| Assay Description Each well of the MBP-coated ScintiPlates held 100 ul of a solution containing 20 mM HEPES pH 7.3, 5 mM MnCl2 (WNK1 and WNK4) or 3 mM MnCl2 (WNK2 and ... |
Nat Chem Biol 12: 896-898 (2016)
Article DOI: 10.1038/nchembio.2168 BindingDB Entry DOI: 10.7270/Q2ZK5FH5 |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM11113
(6-{[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl...)Show InChI InChI=1S/C15H18N6O/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20)/t13-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from rat plasma. |
J Med Chem 45: 2362-5 (2002)
BindingDB Entry DOI: 10.7270/Q2930SHP |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11113
(6-{[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl...)Show InChI InChI=1S/C15H18N6O/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20)/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from human plasma. |
J Med Chem 45: 2362-5 (2002)
BindingDB Entry DOI: 10.7270/Q2930SHP |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50113678
(1-{2-[2-(5-Nitro-pyridin-2-ylamino)-ethylamino]-ac...)Show SMILES [O-][N+](=O)c1ccc(NCCNCC(=O)N2CCC[C@H]2C#N)nc1 Show InChI InChI=1S/C14H18N6O3/c15-8-11-2-1-7-19(11)14(21)10-16-5-6-17-13-4-3-12(9-18-13)20(22)23/h3-4,9,11,16H,1-2,5-7,10H2,(H,17,18)/t11-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from Caco-2 cells |
J Med Chem 45: 2362-5 (2002)
BindingDB Entry DOI: 10.7270/Q2930SHP |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50113678
(1-{2-[2-(5-Nitro-pyridin-2-ylamino)-ethylamino]-ac...)Show SMILES [O-][N+](=O)c1ccc(NCCNCC(=O)N2CCC[C@H]2C#N)nc1 Show InChI InChI=1S/C14H18N6O3/c15-8-11-2-1-7-19(11)14(21)10-16-5-6-17-13-4-3-12(9-18-13)20(22)23/h3-4,9,11,16H,1-2,5-7,10H2,(H,17,18)/t11-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from human plasma |
J Med Chem 45: 2362-5 (2002)
BindingDB Entry DOI: 10.7270/Q2930SHP |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1 [1-444]
(Homo sapiens (Human)) | BDBM203827
(N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-...)Show SMILES CC(C)(C)NC(=O)c1cncn1C1CCN(CC1)c1ccc(cc1)-c1nnc(o1)C(F)(F)F Show InChI InChI=1S/C22H25F3N6O2/c1-21(2,3)27-18(32)17-12-26-13-31(17)16-8-10-30(11-9-16)15-6-4-14(5-7-15)19-28-29-20(33-19)22(23,24)25/h4-7,12-13,16H,8-11H2,1-3H3,(H,27,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | 7.3 | 25 |
Novartis Institutes
| Assay Description Each well of the MBP-coated ScintiPlates held 100 ul of a solution containing 20 mM HEPES pH 7.3, 5 mM MnCl2 (WNK1 and WNK4) or 3 mM MnCl2 (WNK2 and ... |
Nat Chem Biol 12: 896-898 (2016)
Article DOI: 10.1038/nchembio.2168 BindingDB Entry DOI: 10.7270/Q2ZK5FH5 |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Rattus norvegicus (rat)) | BDBM50113678
(1-{2-[2-(5-Nitro-pyridin-2-ylamino)-ethylamino]-ac...)Show SMILES [O-][N+](=O)c1ccc(NCCNCC(=O)N2CCC[C@H]2C#N)nc1 Show InChI InChI=1S/C14H18N6O3/c15-8-11-2-1-7-19(11)14(21)10-16-5-6-17-13-4-3-12(9-18-13)20(22)23/h3-4,9,11,16H,1-2,5-7,10H2,(H,17,18)/t11-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from rat plasma |
J Med Chem 45: 2362-5 (2002)
BindingDB Entry DOI: 10.7270/Q2930SHP |
More data for this Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11113
(6-{[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl...)Show InChI InChI=1S/C15H18N6O/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20)/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from Caco-2 cells. |
J Med Chem 45: 2362-5 (2002)
BindingDB Entry DOI: 10.7270/Q2930SHP |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50302163
(3-amino-6-(4-aminopiperidin-1-yl)-4-propylthieno[2...)Show InChI InChI=1S/C16H23N5OS/c1-2-3-9-8-11(21-6-4-10(17)5-7-21)20-16-12(9)13(18)14(23-16)15(19)22/h8,10H,2-7,17-18H2,1H3,(H2,19,22) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1 [1-491]
(Homo sapiens (Human)) | BDBM203827
(N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-...)Show SMILES CC(C)(C)NC(=O)c1cncn1C1CCN(CC1)c1ccc(cc1)-c1nnc(o1)C(F)(F)F Show InChI InChI=1S/C22H25F3N6O2/c1-21(2,3)27-18(32)17-12-26-13-31(17)16-8-10-30(11-9-16)15-6-4-14(5-7-15)19-28-29-20(33-19)22(23,24)25/h4-7,12-13,16H,8-11H2,1-3H3,(H,27,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | 7.3 | 4 |
Novartis Institutes
| Assay Description Each well of the MBP-coated ScintiPlates held 100 ul of a solution containing 20 mM HEPES pH 7.3, 5 mM MnCl2 (WNK1 and WNK4) or 3 mM MnCl2 (WNK2 and ... |
Nat Chem Biol 12: 896-898 (2016)
Article DOI: 10.1038/nchembio.2168 BindingDB Entry DOI: 10.7270/Q2ZK5FH5 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50302174
(3-amino-6-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-4...)Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(O)C(C)(C)C1 Show InChI InChI=1S/C18H26N4O2S/c1-4-5-10-8-12(22-7-6-11(23)18(2,3)9-22)21-17-13(10)14(19)15(25-17)16(20)24/h8,11,23H,4-7,9,19H2,1-3H3,(H2,20,24) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50004182
(2-Acetylamino-6-(4-{2-[(2-benzyloxycarbonylamino-3...)Show SMILES COC(=O)[C@H](CCCCNC(=O)C(F)(F)C(=O)C(NC(=O)CN(C1Cc2ccccc2C1)C(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(C)C)NC(C)=O Show InChI InChI=1S/C40H53F2N5O9/c1-24(2)33(35(50)40(41,42)38(53)43-19-13-12-18-31(37(52)55-6)44-26(5)48)45-32(49)22-47(30-20-28-16-10-11-17-29(28)21-30)36(51)34(25(3)4)46-39(54)56-23-27-14-8-7-9-15-27/h7-11,14-17,24-25,30-31,33-34H,12-13,18-23H2,1-6H3,(H,43,53)(H,44,48)(H,45,49)(H,46,54)/t31-,33?,34?/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5 |
J Med Chem 35: 4795-808 (1993)
BindingDB Entry DOI: 10.7270/Q2HX1BM5 |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50004192
(CHEMBL344981 | [2-(4-{2-[(2-Benzyloxycarbonylamino...)Show SMILES CCOC(=O)CNC(=O)CNC(=O)C(F)(F)C(=O)C(NC(=O)CN(C1Cc2ccccc2C1)C(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C37H47F2N5O9/c1-6-52-30(47)19-40-28(45)18-41-35(50)37(38,39)33(48)31(22(2)3)42-29(46)20-44(27-16-25-14-10-11-15-26(25)17-27)34(49)32(23(4)5)43-36(51)53-21-24-12-8-7-9-13-24/h7-15,22-23,27,31-32H,6,16-21H2,1-5H3,(H,40,45)(H,41,50)(H,42,46)(H,43,51) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5 |
J Med Chem 35: 4795-808 (1993)
BindingDB Entry DOI: 10.7270/Q2HX1BM5 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50302169
(3-amino-6-(1,4-diazepan-1-yl)-4-propylthieno[2,3-b...)Show InChI InChI=1S/C16H23N5OS/c1-2-4-10-9-11(21-7-3-5-19-6-8-21)20-16-12(10)13(17)14(23-16)15(18)22/h9,19H,2-8,17H2,1H3,(H2,18,22) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50004184
(4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-((S)-1...)Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1Cc2ccccc2C1 Show InChI InChI=1S/C36H38ClF3N4O7S/c1-20(2)30(32(46)36(38,39)40)41-29(45)19-44(27-17-24-7-5-6-8-25(24)18-27)35(49)31(21(3)4)42-33(47)22-9-11-23(12-10-22)34(48)43-52(50,51)28-15-13-26(37)14-16-28/h5-16,20-21,27,30-31H,17-19H2,1-4H3,(H,41,45)(H,42,47)(H,43,48)/t30?,31-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5 |
J Med Chem 35: 4795-808 (1993)
BindingDB Entry DOI: 10.7270/Q2HX1BM5 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50302163
(3-amino-6-(4-aminopiperidin-1-yl)-4-propylthieno[2...)Show InChI InChI=1S/C16H23N5OS/c1-2-3-9-8-11(21-6-4-10(17)5-7-21)20-16-12(9)13(18)14(23-16)15(19)22/h8,10H,2-7,17-18H2,1H3,(H2,19,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of IKKalpha |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50302175
(3-amino-6-(4-(methylsulfonamido)piperidin-1-yl)-4-...)Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(CC1)NS(C)(=O)=O Show InChI InChI=1S/C17H25N5O3S2/c1-3-4-10-9-12(20-17-13(10)14(18)15(26-17)16(19)23)22-7-5-11(6-8-22)21-27(2,24)25/h9,11,21H,3-8,18H2,1-2H3,(H2,19,23) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50273776
(1-Methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2(1H)-...)Show InChI InChI=1S/C15H14N2O/c1-17-14-6-4-11(13-3-2-8-16-10-13)9-12(14)5-7-15(17)18/h2-4,6,8-10H,5,7H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of CYP19A1 (unknown origin) |
Bioorg Med Chem Lett 28: 979-984 (2018)
Article DOI: 10.1016/j.bmcl.2017.12.015 BindingDB Entry DOI: 10.7270/Q2XG9TQK |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50004190
(3-Acetoxymethyl-7-methyl-5,5,8-trioxo-5lambda*6*-t...)Show SMILES C[C@H]1[C@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS2(=O)=O |t:14| Show InChI InChI=1S/C15H21NO7S/c1-8-12(18)16-11(14(19)23-15(3,4)5)10(6-22-9(2)17)7-24(20,21)13(8)16/h8,13H,6-7H2,1-5H3/t8-,13+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5 |
J Med Chem 35: 4795-808 (1993)
BindingDB Entry DOI: 10.7270/Q2HX1BM5 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50302164
(3-amino-6-(piperazin-1-yl)-4-propylthieno[2,3-b]py...)Show InChI InChI=1S/C15H21N5OS/c1-2-3-9-8-10(20-6-4-18-5-7-20)19-15-11(9)12(16)13(22-15)14(17)21/h8,18H,2-7,16H2,1H3,(H2,17,21) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50302182
(3-amino-6-(4-(methylamino)piperidin-1-yl)-4-propyl...)Show InChI InChI=1S/C17H25N5OS/c1-3-4-10-9-12(22-7-5-11(20-2)6-8-22)21-17-13(10)14(18)15(24-17)16(19)23/h9,11,20H,3-8,18H2,1-2H3,(H2,19,23) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50302167
(3-amino-6-(3-oxo-1,4-diazepan-1-yl)-4-propylthieno...)Show InChI InChI=1S/C16H21N5O2S/c1-2-4-9-7-10(21-6-3-5-19-11(22)8-21)20-16-12(9)13(17)14(24-16)15(18)23/h7H,2-6,8,17H2,1H3,(H2,18,23)(H,19,22) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50302177
(3-amino-6-(4-carbamoylpiperazin-1-yl)-4-propylthie...)Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCN(CC1)C(N)=O Show InChI InChI=1S/C16H22N6O2S/c1-2-3-9-8-10(21-4-6-22(7-5-21)16(19)24)20-15-11(9)12(17)13(25-15)14(18)23/h8H,2-7,17H2,1H3,(H2,18,23)(H2,19,24) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50302174
(3-amino-6-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-4...)Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(O)C(C)(C)C1 Show InChI InChI=1S/C18H26N4O2S/c1-4-5-10-8-12(22-7-6-11(23)18(2,3)9-22)21-17-13(10)14(19)15(25-17)16(20)24/h8,11,23H,4-7,9,19H2,1-3H3,(H2,20,24) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50302165
(3-amino-6-(4-hydroxypiperidin-1-yl)-4-propylthieno...)Show InChI InChI=1S/C16H22N4O2S/c1-2-3-9-8-11(20-6-4-10(21)5-7-20)19-16-12(9)13(17)14(23-16)15(18)22/h8,10,21H,2-7,17H2,1H3,(H2,18,22) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50302164
(3-amino-6-(piperazin-1-yl)-4-propylthieno[2,3-b]py...)Show InChI InChI=1S/C15H21N5OS/c1-2-3-9-8-10(20-6-4-18-5-7-20)19-15-11(9)12(16)13(22-15)14(17)21/h8,18H,2-7,16H2,1H3,(H2,17,21) | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of PDGFRalpha |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50273776
(1-Methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2(1H)-...)Show InChI InChI=1S/C15H14N2O/c1-17-14-6-4-11(13-3-2-8-16-10-13)9-12(14)5-7-15(17)18/h2-4,6,8-10H,5,7H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of CYP17A1 (unknown origin) |
Bioorg Med Chem Lett 28: 979-984 (2018)
Article DOI: 10.1016/j.bmcl.2017.12.015 BindingDB Entry DOI: 10.7270/Q2XG9TQK |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50004187
(((S)-1-{Indan-2-yl-[(3,3,3-trifluoro-1-isopropyl-2...)Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1Cc2ccccc2C1 Show InChI InChI=1S/C30H36F3N3O5/c1-18(2)25(27(38)30(31,32)33)34-24(37)16-36(23-14-21-12-8-9-13-22(21)15-23)28(39)26(19(3)4)35-29(40)41-17-20-10-6-5-7-11-20/h5-13,18-19,23,25-26H,14-17H2,1-4H3,(H,34,37)(H,35,40)/t25?,26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 365 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5 |
J Med Chem 35: 4795-808 (1993)
BindingDB Entry DOI: 10.7270/Q2HX1BM5 |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50004185
(4-[2-({2-[4-(4-Chloro-benzenesulfonylaminocarbonyl...)Show SMILES CCOC(=O)C(F)(F)C(=O)C(NC(=O)CN(C1Cc2ccccc2C1)C(=O)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)C(C)C Show InChI InChI=1S/C39H43ClF2N4O9S/c1-6-55-38(52)39(41,42)34(48)32(22(2)3)43-31(47)21-46(29-19-26-9-7-8-10-27(26)20-29)37(51)33(23(4)5)44-35(49)24-11-13-25(14-12-24)36(50)45-56(53,54)30-17-15-28(40)16-18-30/h7-18,22-23,29,32-33H,6,19-21H2,1-5H3,(H,43,47)(H,44,49)(H,45,50) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 404 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5 |
J Med Chem 35: 4795-808 (1993)
BindingDB Entry DOI: 10.7270/Q2HX1BM5 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50302170
((R)-3-amino-6-(3-aminopyrrolidin-1-yl)-4-propylthi...)Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CC[C@@H](N)C1 |r| Show InChI InChI=1S/C15H21N5OS/c1-2-3-8-6-10(20-5-4-9(16)7-20)19-15-11(8)12(17)13(22-15)14(18)21/h6,9H,2-5,7,16-17H2,1H3,(H2,18,21)/t9-/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50302180
(3-amino-6-(4-methylpiperazin-1-yl)-4-propylthieno[...)Show InChI InChI=1S/C16H23N5OS/c1-3-4-10-9-11(21-7-5-20(2)6-8-21)19-16-12(10)13(17)14(23-16)15(18)22/h9H,3-8,17H2,1-2H3,(H2,18,22) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50302166
(3-amino-6-(3-hydroxypiperidin-1-yl)-4-propylthieno...)Show InChI InChI=1S/C16H22N4O2S/c1-2-4-9-7-11(20-6-3-5-10(21)8-20)19-16-12(9)13(17)14(23-16)15(18)22/h7,10,21H,2-6,8,17H2,1H3,(H2,18,22) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50302171
((S)-3-amino-6-(3-aminopyrrolidin-1-yl)-4-propylthi...)Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CC[C@H](N)C1 |r| Show InChI InChI=1S/C15H21N5OS/c1-2-3-8-6-10(20-5-4-9(16)7-20)19-15-11(8)12(17)13(22-15)14(18)21/h6,9H,2-5,7,16-17H2,1H3,(H2,18,21)/t9-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50302168
(3-amino-6-(3-aminoazepan-1-yl)-4-propylthieno[2,3-...)Show InChI InChI=1S/C17H25N5OS/c1-2-5-10-8-12(22-7-4-3-6-11(18)9-22)21-17-13(10)14(19)15(24-17)16(20)23/h8,11H,2-7,9,18-19H2,1H3,(H2,20,23) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50004183
(4-{2-[(2-Benzyloxycarbonylamino-3-methyl-butyryl)-...)Show SMILES CCOC(=O)C(F)(F)C(=O)C(NC(=O)CN(C1Cc2ccccc2C1)C(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C33H41F2N3O7/c1-6-44-31(42)33(34,35)29(40)27(20(2)3)36-26(39)18-38(25-16-23-14-10-11-15-24(23)17-25)30(41)28(21(4)5)37-32(43)45-19-22-12-8-7-9-13-22/h7-15,20-21,25,27-28H,6,16-19H2,1-5H3,(H,36,39)(H,37,43) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 635 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5 |
J Med Chem 35: 4795-808 (1993)
BindingDB Entry DOI: 10.7270/Q2HX1BM5 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50302184
(3-amino-4-methyl-6-(piperazin-1-yl)thieno[2,3-b]py...)Show InChI InChI=1S/C13H17N5OS/c1-7-6-8(18-4-2-16-3-5-18)17-13-9(7)10(14)11(20-13)12(15)19/h6,16H,2-5,14H2,1H3,(H2,15,19) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50302181
(3-amino-6-(4-(dimethylamino)piperidin-1-yl)-4-prop...)Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(CC1)N(C)C Show InChI InChI=1S/C18H27N5OS/c1-4-5-11-10-13(23-8-6-12(7-9-23)22(2)3)21-18-14(11)15(19)16(25-18)17(20)24/h10,12H,4-9,19H2,1-3H3,(H2,20,24) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50302183
(3-amino-6-(4-methoxypiperidin-1-yl)-4-propylthieno...)Show InChI InChI=1S/C17H24N4O2S/c1-3-4-10-9-12(21-7-5-11(23-2)6-8-21)20-17-13(10)14(18)15(24-17)16(19)22/h9,11H,3-8,18H2,1-2H3,(H2,19,22) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50302185
(3-amino-6-(4-hydroxypiperidin-1-yl)-4-methylthieno...)Show InChI InChI=1S/C14H18N4O2S/c1-7-6-9(18-4-2-8(19)3-5-18)17-14-10(7)11(15)12(21-14)13(16)20/h6,8,19H,2-5,15H2,1H3,(H2,16,20) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50047262
((R)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-y...)Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of CYP19A1 (unknown origin) |
Bioorg Med Chem Lett 28: 979-984 (2018)
Article DOI: 10.1016/j.bmcl.2017.12.015 BindingDB Entry DOI: 10.7270/Q2XG9TQK |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase WNK1 [1-491]
(Homo sapiens (Human)) | BDBM203826
((R)-1-(1-(2-(4-methoxyphenyl)acetyl)pyrrolidin-3-y...)Show SMILES COc1ccc(CC(=O)N2CCC(C2)n2cncc2C(=O)NCCc2ccccc2)cc1 Show InChI InChI=1S/C25H28N4O3/c1-32-22-9-7-20(8-10-22)15-24(30)28-14-12-21(17-28)29-18-26-16-23(29)25(31)27-13-11-19-5-3-2-4-6-19/h2-10,16,18,21H,11-15,17H2,1H3,(H,27,31) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 856 | n/a | n/a | n/a | n/a | 7.3 | 25 |
Novartis Institutes
| Assay Description Each well of the MBP-coated ScintiPlates held 100 ul of a solution containing 20 mM HEPES pH 7.3, 5 mM MnCl2 (WNK1 and WNK4) or 3 mM MnCl2 (WNK2 and ... |
Nat Chem Biol 12: 896-898 (2016)
Article DOI: 10.1038/nchembio.2168 BindingDB Entry DOI: 10.7270/Q2ZK5FH5 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50302202
(3-amino-4-(furan-2-yl)-6-methylthieno[2,3-b]pyridi...)Show InChI InChI=1S/C13H11N3O2S/c1-6-5-7(8-3-2-4-18-8)9-10(14)11(12(15)17)19-13(9)16-6/h2-5H,14H2,1H3,(H2,15,17) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50302208
(3-amino-6-methyl-4-propylthieno[2,3-b]pyridine-2-c...)Show InChI InChI=1S/C12H15N3OS/c1-3-4-7-5-6(2)15-12-8(7)9(13)10(17-12)11(14)16/h5H,3-4,13H2,1-2H3,(H2,14,16) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50302178
(3-amino-6-(4-carbamoylpiperidin-1-yl)-4-propylthie...)Show SMILES CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(CC1)C(N)=O Show InChI InChI=1S/C17H23N5O2S/c1-2-3-10-8-11(22-6-4-9(5-7-22)15(19)23)21-17-12(10)13(18)14(25-17)16(20)24/h8-9H,2-7,18H2,1H3,(H2,19,23)(H2,20,24) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50302195
(3-amino-6-methyl-4-(4-(methylsulfonyl)phenyl)thien...)Show SMILES Cc1cc(-c2ccc(cc2)S(C)(=O)=O)c2c(N)c(sc2n1)C(N)=O Show InChI InChI=1S/C16H15N3O3S2/c1-8-7-11(9-3-5-10(6-4-9)24(2,21)22)12-13(17)14(15(18)20)23-16(12)19-8/h3-7H,17H2,1-2H3,(H2,18,20) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054 BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this Ligand-Target Pair | |