Found 169 hits with Last Name = 'morishita' and Initial = 'k' 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 |
|---|
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336049
(CHEMBL1669334 | N-benzyl-4-(6-(cyclopropylmethylam...)Show SMILES F[C@H]1CN[C@H](CN(Cc2ccccc2)C(=O)c2ccc(cc2)-c2cnc3ccc(NCC4CC4)nn23)C1 |r| Show InChI InChI=1S/C29H31FN6O/c30-24-14-25(31-16-24)19-35(18-21-4-2-1-3-5-21)29(37)23-10-8-22(9-11-23)26-17-33-28-13-12-27(34-36(26)28)32-15-20-6-7-20/h1-5,8-13,17,20,24-25,31H,6-7,14-16,18-19H2,(H,32,34)/t24-,25+/m1/s1 | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKKbeta after 15 mins |
Bioorg Med Chem Lett 21: 904-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.078
BindingDB Entry DOI: 10.7270/Q26Q1XJF |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336052
(CHEMBL1669337 | N-cinnamyl-4-(6-(cyclopropylmethyl...)Show SMILES F[C@H]1CN[C@H](CN(C\C=C\c2ccccc2)C(=O)c2ccc(cc2)-c2cnc3ccc(NCC4CC4)nn23)C1 |r| Show InChI InChI=1S/C31H33FN6O/c32-26-17-27(33-19-26)21-37(16-4-7-22-5-2-1-3-6-22)31(39)25-12-10-24(11-13-25)28-20-35-30-15-14-29(36-38(28)30)34-18-23-8-9-23/h1-7,10-15,20,23,26-27,33H,8-9,16-19,21H2,(H,34,36)/b7-4+/t26-,27+/m1/s1 | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKKbeta after 15 mins |
Bioorg Med Chem Lett 21: 904-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.078
BindingDB Entry DOI: 10.7270/Q26Q1XJF |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336057
(CHEMBL1669342 | N-(4-acetamidobenzyl)-4-(6-(cyclop...)Show SMILES CC(=O)Nc1ccc(CN(C[C@@H]2C[C@@H](F)CN2)C(=O)c2ccc(cc2)-c2cnc3ccc(NCC4CC4)nn23)cc1 |r| Show InChI InChI=1S/C31H34FN7O2/c1-20(40)36-26-10-4-22(5-11-26)18-38(19-27-14-25(32)16-33-27)31(41)24-8-6-23(7-9-24)28-17-35-30-13-12-29(37-39(28)30)34-15-21-2-3-21/h4-13,17,21,25,27,33H,2-3,14-16,18-19H2,1H3,(H,34,37)(H,36,40)/t25-,27+/m1/s1 | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKKbeta after 15 mins |
Bioorg Med Chem Lett 21: 904-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.078
BindingDB Entry DOI: 10.7270/Q26Q1XJF |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336055
(4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridaz...)Show SMILES OCCN(C[C@@H]1C[C@@H](F)CN1)C(=O)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 |r| Show InChI InChI=1S/C24H29FN6O2/c25-19-11-20(26-13-19)15-30(9-10-32)24(33)18-5-3-17(4-6-18)21-14-28-23-8-7-22(29-31(21)23)27-12-16-1-2-16/h3-8,14,16,19-20,26,32H,1-2,9-13,15H2,(H,27,29)/t19-,20+/m1/s1 | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKKbeta after 15 mins |
Bioorg Med Chem Lett 21: 904-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.078
BindingDB Entry DOI: 10.7270/Q26Q1XJF |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50348931
(CHEMBL1807619)Show SMILES F[C@H]1CN[C@H](CNC(=O)c2ccc(cc2F)-c2cnc3ccc(NC4CCCC4)nn23)C1 |r| Show InChI InChI=1S/C23H26F2N6O/c24-15-10-17(26-11-15)12-28-23(32)18-6-5-14(9-19(18)25)20-13-27-22-8-7-21(30-31(20)22)29-16-3-1-2-4-16/h5-9,13,15-17,26H,1-4,10-12H2,(H,28,32)(H,29,30)/t15-,17+/m1/s1 | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of his-tagged IKKbeta after 2 hrs |
Bioorg Med Chem Lett 21: 4550-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.115
BindingDB Entry DOI: 10.7270/Q2S182V5 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336065
(4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridaz...)Show SMILES CCCN(C[C@@H]1C[C@@H](F)CN1)C(=O)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 |r| Show InChI InChI=1S/C25H31FN6O/c1-2-11-31(16-21-12-20(26)14-27-21)25(33)19-7-5-18(6-8-19)22-15-29-24-10-9-23(30-32(22)24)28-13-17-3-4-17/h5-10,15,17,20-21,27H,2-4,11-14,16H2,1H3,(H,28,30)/t20-,21+/m1/s1 | 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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKKbeta after 15 mins |
Bioorg Med Chem Lett 21: 904-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.078
BindingDB Entry DOI: 10.7270/Q26Q1XJF |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336050
(CHEMBL1669335 | N-(3-chlorobenzyl)-4-(6-(cycloprop...)Show SMILES F[C@H]1CN[C@H](CN(Cc2cccc(Cl)c2)C(=O)c2ccc(cc2)-c2cnc3ccc(NCC4CC4)nn23)C1 |r| Show InChI InChI=1S/C29H30ClFN6O/c30-23-3-1-2-20(12-23)17-36(18-25-13-24(31)15-32-25)29(38)22-8-6-21(7-9-22)26-16-34-28-11-10-27(35-37(26)28)33-14-19-4-5-19/h1-3,6-12,16,19,24-25,32H,4-5,13-15,17-18H2,(H,33,35)/t24-,25+/m1/s1 | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKKbeta after 15 mins |
Bioorg Med Chem Lett 21: 904-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.078
BindingDB Entry DOI: 10.7270/Q26Q1XJF |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336051
(CHEMBL1669336 | N-(4-chlorobenzyl)-4-(6-(cycloprop...)Show SMILES F[C@H]1CN[C@H](CN(Cc2ccc(Cl)cc2)C(=O)c2ccc(cc2)-c2cnc3ccc(NCC4CC4)nn23)C1 |r| Show InChI InChI=1S/C29H30ClFN6O/c30-23-9-3-20(4-10-23)17-36(18-25-13-24(31)15-32-25)29(38)22-7-5-21(6-8-22)26-16-34-28-12-11-27(35-37(26)28)33-14-19-1-2-19/h3-12,16,19,24-25,32H,1-2,13-15,17-18H2,(H,33,35)/t24-,25+/m1/s1 | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKKbeta after 15 mins |
Bioorg Med Chem Lett 21: 904-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.078
BindingDB Entry DOI: 10.7270/Q26Q1XJF |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50348930
(CHEMBL1807618)Show SMILES F[C@H]1CN[C@H](CNC(=O)c2ccc(cc2F)-c2cnc3ccc(NC4CCC4)nn23)C1 |r| Show InChI InChI=1S/C22H24F2N6O/c23-14-9-16(25-10-14)11-27-22(31)17-5-4-13(8-18(17)24)19-12-26-21-7-6-20(29-30(19)21)28-15-2-1-3-15/h4-8,12,14-16,25H,1-3,9-11H2,(H,27,31)(H,28,29)/t14-,16+/m1/s1 | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of his-tagged IKKbeta after 2 hrs |
Bioorg Med Chem Lett 21: 4550-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.115
BindingDB Entry DOI: 10.7270/Q2S182V5 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336056
(4-((4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyr...)Show SMILES OC(=O)c1ccc(CN(C[C@@H]2C[C@@H](F)CN2)C(=O)c2ccc(cc2)-c2cnc3ccc(NCC4CC4)nn23)cc1 |r| Show InChI InChI=1S/C30H31FN6O3/c31-24-13-25(32-15-24)18-36(17-20-3-5-23(6-4-20)30(39)40)29(38)22-9-7-21(8-10-22)26-16-34-28-12-11-27(35-37(26)28)33-14-19-1-2-19/h3-12,16,19,24-25,32H,1-2,13-15,17-18H2,(H,33,35)(H,39,40)/t24-,25+/m1/s1 | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKKbeta after 15 mins |
Bioorg Med Chem Lett 21: 904-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.078
BindingDB Entry DOI: 10.7270/Q26Q1XJF |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336064
(4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridaz...)Show SMILES CCN(C[C@@H]1C[C@@H](F)CN1)C(=O)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 |r| Show InChI InChI=1S/C24H29FN6O/c1-2-30(15-20-11-19(25)13-26-20)24(32)18-7-5-17(6-8-18)21-14-28-23-10-9-22(29-31(21)23)27-12-16-3-4-16/h5-10,14,16,19-20,26H,2-4,11-13,15H2,1H3,(H,27,29)/t19-,20+/m1/s1 | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKKbeta after 15 mins |
Bioorg Med Chem Lett 21: 904-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.078
BindingDB Entry DOI: 10.7270/Q26Q1XJF |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50348928
(CHEMBL1807616)Show SMILES CCCCNc1ccc2ncc(-c3ccc(C(=O)NC[C@@H]4C[C@@H](F)CN4)c(F)c3)n2n1 |r| Show InChI InChI=1S/C22H26F2N6O/c1-2-3-8-25-20-6-7-21-27-13-19(30(21)29-20)14-4-5-17(18(24)9-14)22(31)28-12-16-10-15(23)11-26-16/h4-7,9,13,15-16,26H,2-3,8,10-12H2,1H3,(H,25,29)(H,28,31)/t15-,16+/m1/s1 | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of his-tagged IKKbeta after 2 hrs |
Bioorg Med Chem Lett 21: 4550-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.115
BindingDB Entry DOI: 10.7270/Q2S182V5 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336060
(4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridaz...)Show SMILES F[C@H]1CCN[C@@H]1CNC(=O)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 |r| Show InChI InChI=1S/C22H25FN6O/c23-17-9-10-24-18(17)12-27-22(30)16-5-3-15(4-6-16)19-13-26-21-8-7-20(28-29(19)21)25-11-14-1-2-14/h3-8,13-14,17-18,24H,1-2,9-12H2,(H,25,28)(H,27,30)/t17-,18+/m0/s1 | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKKbeta after 15 mins |
Bioorg Med Chem Lett 21: 904-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.078
BindingDB Entry DOI: 10.7270/Q26Q1XJF |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336061
(4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridaz...)Show SMILES F[C@H]1CN[C@H](CNC(=O)c2ccc(cc2)-c2cnc3ccc(NCC4CC4)nn23)C1 |r| Show InChI InChI=1S/C22H25FN6O/c23-17-9-18(24-11-17)12-27-22(30)16-5-3-15(4-6-16)19-13-26-21-8-7-20(28-29(19)21)25-10-14-1-2-14/h3-8,13-14,17-18,24H,1-2,9-12H2,(H,25,28)(H,27,30)/t17-,18+/m1/s1 | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKKbeta after 15 mins |
Bioorg Med Chem Lett 21: 904-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.078
BindingDB Entry DOI: 10.7270/Q26Q1XJF |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336058
(4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridaz...)Show SMILES CO[C@H]1CCN[C@@H]1CNC(=O)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 |r| Show InChI InChI=1S/C23H28N6O2/c1-31-20-10-11-24-18(20)13-27-23(30)17-6-4-16(5-7-17)19-14-26-22-9-8-21(28-29(19)22)25-12-15-2-3-15/h4-9,14-15,18,20,24H,2-3,10-13H2,1H3,(H,25,28)(H,27,30)/t18-,20+/m1/s1 | 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 | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKKbeta after 15 mins |
Bioorg Med Chem Lett 21: 904-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.078
BindingDB Entry DOI: 10.7270/Q26Q1XJF |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50348929
(CHEMBL1807617)Show SMILES CCCCCNc1ccc2ncc(-c3ccc(C(=O)NC[C@@H]4C[C@@H](F)CN4)c(F)c3)n2n1 |r| Show InChI InChI=1S/C23H28F2N6O/c1-2-3-4-9-26-21-7-8-22-28-14-20(31(22)30-21)15-5-6-18(19(25)10-15)23(32)29-13-17-11-16(24)12-27-17/h5-8,10,14,16-17,27H,2-4,9,11-13H2,1H3,(H,26,30)(H,29,32)/t16-,17+/m1/s1 | 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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of his-tagged IKKbeta after 2 hrs |
Bioorg Med Chem Lett 21: 4550-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.115
BindingDB Entry DOI: 10.7270/Q2S182V5 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50348920
(CHEMBL1807609)Show SMILES F[C@H]1CN[C@H](CNC(=O)c2ccc(cc2F)-c2cnc3ccc(NCC4CC4)nn23)C1 |r| Show InChI InChI=1S/C22H24F2N6O/c23-15-8-16(25-10-15)11-28-22(31)17-4-3-14(7-18(17)24)19-12-27-21-6-5-20(29-30(19)21)26-9-13-1-2-13/h3-7,12-13,15-16,25H,1-2,8-11H2,(H,26,29)(H,28,31)/t15-,16+/m1/s1 | 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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of his-tagged IKKbeta after 2 hrs |
Bioorg Med Chem Lett 21: 4550-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.115
BindingDB Entry DOI: 10.7270/Q2S182V5 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50348936
(CHEMBL1807624)Show SMILES FCCCCCNc1ccc2ncc(-c3ccc(C(=O)NC[C@@H]4C[C@@H](F)CN4)c(F)c3)n2n1 |r| Show InChI InChI=1S/C23H27F3N6O/c24-8-2-1-3-9-27-21-6-7-22-29-14-20(32(22)31-21)15-4-5-18(19(26)10-15)23(33)30-13-17-11-16(25)12-28-17/h4-7,10,14,16-17,28H,1-3,8-9,11-13H2,(H,27,31)(H,30,33)/t16-,17+/m1/s1 | 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 | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of his-tagged IKKbeta after 2 hrs |
Bioorg Med Chem Lett 21: 4550-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.115
BindingDB Entry DOI: 10.7270/Q2S182V5 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336063
(4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridaz...)Show SMILES CN(C[C@@H]1C[C@@H](F)CN1)C(=O)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 |r| Show InChI InChI=1S/C23H27FN6O/c1-29(14-19-10-18(24)12-25-19)23(31)17-6-4-16(5-7-17)20-13-27-22-9-8-21(28-30(20)22)26-11-15-2-3-15/h4-9,13,15,18-19,25H,2-3,10-12,14H2,1H3,(H,26,28)/t18-,19+/m1/s1 | 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 | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKKbeta after 15 mins |
Bioorg Med Chem Lett 21: 904-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.078
BindingDB Entry DOI: 10.7270/Q26Q1XJF |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50348935
(CHEMBL1807623)Show SMILES FCCCCNc1ccc2ncc(-c3ccc(C(=O)NC[C@@H]4C[C@@H](F)CN4)c(F)c3)n2n1 |r| Show InChI InChI=1S/C22H25F3N6O/c23-7-1-2-8-26-20-5-6-21-28-13-19(31(21)30-20)14-3-4-17(18(25)9-14)22(32)29-12-16-10-15(24)11-27-16/h3-6,9,13,15-16,27H,1-2,7-8,10-12H2,(H,26,30)(H,29,32)/t15-,16+/m1/s1 | 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 | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of his-tagged IKKbeta after 2 hrs |
Bioorg Med Chem Lett 21: 4550-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.115
BindingDB Entry DOI: 10.7270/Q2S182V5 |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-beta
(Homo sapiens (Human)) | BDBM50218464
((Z)-4-(5,7,7,10,10-pentamethyl-2-nitro-7,8,9,10-te...)Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)[N+]([O-])=O |t:9| Show InChI InChI=1S/C29H29N3O4/c1-28(2)12-13-29(3,4)22-16-25-20(15-21(22)28)26(17-6-8-18(9-7-17)27(33)34)30-23-14-19(32(35)36)10-11-24(23)31(25)5/h6-11,14-16H,12-13H2,1-5H3,(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Okayama University Graduate School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at RXRbeta (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activi... |
Bioorg Med Chem Lett 19: 1001-3 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50325416
((S)-4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyr...)Show SMILES O=C(NC[C@@H]1CCCCN1)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 |r| Show InChI InChI=1S/C23H28N6O/c30-23(27-14-19-3-1-2-12-24-19)18-8-6-17(7-9-18)20-15-26-22-11-10-21(28-29(20)22)25-13-16-4-5-16/h6-11,15-16,19,24H,1-5,12-14H2,(H,25,28)(H,27,30)/t19-/m0/s1 | 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 | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKK-beta after 15 mins |
Bioorg Med Chem Lett 20: 5113-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.026
BindingDB Entry DOI: 10.7270/Q2513ZDM |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50325375
((S)-4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyr...)Show SMILES O=C(NC[C@@H]1CCCN1)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 |r| Show InChI InChI=1S/C22H26N6O/c29-22(26-13-18-2-1-11-23-18)17-7-5-16(6-8-17)19-14-25-21-10-9-20(27-28(19)21)24-12-15-3-4-15/h5-10,14-15,18,23H,1-4,11-13H2,(H,24,27)(H,26,29)/t18-/m0/s1 | 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 | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKKbeta after 15 mins |
Bioorg Med Chem Lett 21: 904-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.078
BindingDB Entry DOI: 10.7270/Q26Q1XJF |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50325375
((S)-4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyr...)Show SMILES O=C(NC[C@@H]1CCCN1)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 |r| Show InChI InChI=1S/C22H26N6O/c29-22(26-13-18-2-1-11-23-18)17-7-5-16(6-8-17)19-14-25-21-10-9-20(27-28(19)21)24-12-15-3-4-15/h5-10,14-15,18,23H,1-4,11-13H2,(H,24,27)(H,26,29)/t18-/m0/s1 | 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 | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKK-beta after 15 mins |
Bioorg Med Chem Lett 20: 5113-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.026
BindingDB Entry DOI: 10.7270/Q2513ZDM |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50348933
(CHEMBL1807621)Show SMILES CSCCCNc1ccc2ncc(-c3ccc(C(=O)NC[C@@H]4C[C@@H](F)CN4)c(F)c3)n2n1 |r| Show InChI InChI=1S/C22H26F2N6OS/c1-32-8-2-7-25-20-5-6-21-27-13-19(30(21)29-20)14-3-4-17(18(24)9-14)22(31)28-12-16-10-15(23)11-26-16/h3-6,9,13,15-16,26H,2,7-8,10-12H2,1H3,(H,25,29)(H,28,31)/t15-,16+/m1/s1 | 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 | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of his-tagged IKKbeta after 2 hrs |
Bioorg Med Chem Lett 21: 4550-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.115
BindingDB Entry DOI: 10.7270/Q2S182V5 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50348919
(CHEMBL1807608)Show SMILES Fc1cc(ccc1C(=O)NC[C@@H]1CCCN1)-c1cnc2ccc(NCC3CC3)nn12 |r| Show InChI InChI=1S/C22H25FN6O/c23-18-10-15(5-6-17(18)22(30)27-12-16-2-1-9-24-16)19-13-26-21-8-7-20(28-29(19)21)25-11-14-3-4-14/h5-8,10,13-14,16,24H,1-4,9,11-12H2,(H,25,28)(H,27,30)/t16-/m0/s1 | 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 | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of his-tagged IKKbeta after 2 hrs |
Bioorg Med Chem Lett 21: 4550-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.115
BindingDB Entry DOI: 10.7270/Q2S182V5 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50348927
(CHEMBL1807615)Show SMILES CCCNc1ccc2ncc(-c3ccc(C(=O)NC[C@@H]4C[C@@H](F)CN4)c(F)c3)n2n1 |r| Show InChI InChI=1S/C21H24F2N6O/c1-2-7-24-19-5-6-20-26-12-18(29(20)28-19)13-3-4-16(17(23)8-13)21(30)27-11-15-9-14(22)10-25-15/h3-6,8,12,14-15,25H,2,7,9-11H2,1H3,(H,24,28)(H,27,30)/t14-,15+/m1/s1 | 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 | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of his-tagged IKKbeta after 2 hrs |
Bioorg Med Chem Lett 21: 4550-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.115
BindingDB Entry DOI: 10.7270/Q2S182V5 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336059
(4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridaz...)Show SMILES CO[C@H]1CN[C@H](CNC(=O)c2ccc(cc2)-c2cnc3ccc(NCC4CC4)nn23)C1 |r| Show InChI InChI=1S/C23H28N6O2/c1-31-19-10-18(24-13-19)12-27-23(30)17-6-4-16(5-7-17)20-14-26-22-9-8-21(28-29(20)22)25-11-15-2-3-15/h4-9,14-15,18-19,24H,2-3,10-13H2,1H3,(H,25,28)(H,27,30)/t18-,19+/m0/s1 | 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 | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKKbeta after 15 mins |
Bioorg Med Chem Lett 21: 904-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.078
BindingDB Entry DOI: 10.7270/Q26Q1XJF |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50348914
(CHEMBL1807603)Show SMILES O=C(NCCN1CCCC1)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 Show InChI InChI=1S/C23H28N6O/c30-23(24-11-14-28-12-1-2-13-28)19-7-5-18(6-8-19)20-16-26-22-10-9-21(27-29(20)22)25-15-17-3-4-17/h5-10,16-17H,1-4,11-15H2,(H,24,30)(H,25,27) | 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 | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of his-tagged IKKbeta after 2 hrs |
Bioorg Med Chem Lett 21: 4550-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.115
BindingDB Entry DOI: 10.7270/Q2S182V5 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50325371
(4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridaz...)Show SMILES CC(CN(C)C)NC(=O)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 Show InChI InChI=1S/C22H28N6O/c1-15(14-27(2)3)25-22(29)18-8-6-17(7-9-18)19-13-24-21-11-10-20(26-28(19)21)23-12-16-4-5-16/h6-11,13,15-16H,4-5,12,14H2,1-3H3,(H,23,26)(H,25,29) | 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 | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKK-beta after 15 mins |
Bioorg Med Chem Lett 20: 5113-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.026
BindingDB Entry DOI: 10.7270/Q2513ZDM |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50325370
(4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridaz...)Show SMILES CCN(CC)CCNC(=O)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 Show InChI InChI=1S/C23H30N6O/c1-3-28(4-2)14-13-24-23(30)19-9-7-18(8-10-19)20-16-26-22-12-11-21(27-29(20)22)25-15-17-5-6-17/h7-12,16-17H,3-6,13-15H2,1-2H3,(H,24,30)(H,25,27) | 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 | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKK-beta after 15 mins |
Bioorg Med Chem Lett 20: 5113-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.026
BindingDB Entry DOI: 10.7270/Q2513ZDM |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336062
((S)-4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyr...)Show SMILES CN(C[C@@H]1CCCN1)C(=O)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 |r| Show InChI InChI=1S/C23H28N6O/c1-28(15-19-3-2-12-24-19)23(30)18-8-6-17(7-9-18)20-14-26-22-11-10-21(27-29(20)22)25-13-16-4-5-16/h6-11,14,16,19,24H,2-5,12-13,15H2,1H3,(H,25,27)/t19-/m0/s1 | 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 | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKKbeta after 15 mins |
Bioorg Med Chem Lett 21: 904-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.078
BindingDB Entry DOI: 10.7270/Q26Q1XJF |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50348932
(CHEMBL1807620)Show SMILES CSCCNc1ccc2ncc(-c3ccc(C(=O)NC[C@@H]4C[C@@H](F)CN4)c(F)c3)n2n1 |r| Show InChI InChI=1S/C21H24F2N6OS/c1-31-7-6-24-19-4-5-20-26-12-18(29(20)28-19)13-2-3-16(17(23)8-13)21(30)27-11-15-9-14(22)10-25-15/h2-5,8,12,14-15,25H,6-7,9-11H2,1H3,(H,24,28)(H,27,30)/t14-,15+/m1/s1 | 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 | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of his-tagged IKKbeta after 2 hrs |
Bioorg Med Chem Lett 21: 4550-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.115
BindingDB Entry DOI: 10.7270/Q2S182V5 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50325415
((R)-4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyr...)Show SMILES O=C(NC[C@H]1CCCN1)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 |r| Show InChI InChI=1S/C22H26N6O/c29-22(26-13-18-2-1-11-23-18)17-7-5-16(6-8-17)19-14-25-21-10-9-20(27-28(19)21)24-12-15-3-4-15/h5-10,14-15,18,23H,1-4,11-13H2,(H,24,27)(H,26,29)/t18-/m1/s1 | 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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKK-beta after 15 mins |
Bioorg Med Chem Lett 20: 5113-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.026
BindingDB Entry DOI: 10.7270/Q2513ZDM |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336054
(2-(4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyri...)Show SMILES OC(=O)CN(C[C@@H]1C[C@@H](F)CN1)C(=O)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 |r| Show InChI InChI=1S/C24H27FN6O3/c25-18-9-19(26-11-18)13-30(14-23(32)33)24(34)17-5-3-16(4-6-17)20-12-28-22-8-7-21(29-31(20)22)27-10-15-1-2-15/h3-8,12,15,18-19,26H,1-2,9-11,13-14H2,(H,27,29)(H,32,33)/t18-,19+/m1/s1 | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKKbeta after 15 mins |
Bioorg Med Chem Lett 21: 904-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.078
BindingDB Entry DOI: 10.7270/Q26Q1XJF |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50325418
((S)-4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyr...)Show SMILES CN1CCC[C@H]1CNC(=O)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 |r| Show InChI InChI=1S/C23H28N6O/c1-28-12-2-3-19(28)14-26-23(30)18-8-6-17(7-9-18)20-15-25-22-11-10-21(27-29(20)22)24-13-16-4-5-16/h6-11,15-16,19H,2-5,12-14H2,1H3,(H,24,27)(H,26,30)/t19-/m0/s1 | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKK-beta after 15 mins |
Bioorg Med Chem Lett 20: 5113-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.026
BindingDB Entry DOI: 10.7270/Q2513ZDM |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50348934
(CHEMBL1807622)Show SMILES FCCCNc1ccc2ncc(-c3ccc(C(=O)NC[C@@H]4C[C@@H](F)CN4)c(F)c3)n2n1 |r| Show InChI InChI=1S/C21H23F3N6O/c22-6-1-7-25-19-4-5-20-27-12-18(30(20)29-19)13-2-3-16(17(24)8-13)21(31)28-11-15-9-14(23)10-26-15/h2-5,8,12,14-15,26H,1,6-7,9-11H2,(H,25,29)(H,28,31)/t14-,15+/m1/s1 | 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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of his-tagged IKKbeta after 2 hrs |
Bioorg Med Chem Lett 21: 4550-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.115
BindingDB Entry DOI: 10.7270/Q2S182V5 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50325417
((S)-4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyr...)Show SMILES CCN1CCC[C@H]1CNC(=O)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 |r| Show InChI InChI=1S/C24H30N6O/c1-2-29-13-3-4-20(29)15-27-24(31)19-9-7-18(8-10-19)21-16-26-23-12-11-22(28-30(21)23)25-14-17-5-6-17/h7-12,16-17,20H,2-6,13-15H2,1H3,(H,25,28)(H,27,31)/t20-/m0/s1 | 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 |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKK-beta after 15 mins |
Bioorg Med Chem Lett 20: 5113-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.026
BindingDB Entry DOI: 10.7270/Q2513ZDM |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50348918
(CHEMBL1807607)Show SMILES Fc1cc(ccc1C(=O)NCCN1CCCC1)-c1cnc2ccc(NCC3CC3)nn12 Show InChI InChI=1S/C23H27FN6O/c24-19-13-17(5-6-18(19)23(31)25-9-12-29-10-1-2-11-29)20-15-27-22-8-7-21(28-30(20)22)26-14-16-3-4-16/h5-8,13,15-16H,1-4,9-12,14H2,(H,25,31)(H,26,28) | 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 |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of his-tagged IKKbeta after 2 hrs |
Bioorg Med Chem Lett 21: 4550-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.115
BindingDB Entry DOI: 10.7270/Q2S182V5 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50348923
(CHEMBL1807612)Show SMILES O=C(NCCN1CCCC1)c1ccc(nc1)-c1cnc2ccc(NCC3CC3)nn12 Show InChI InChI=1S/C22H27N7O/c30-22(23-9-12-28-10-1-2-11-28)17-5-6-18(24-14-17)19-15-26-21-8-7-20(27-29(19)21)25-13-16-3-4-16/h5-8,14-16H,1-4,9-13H2,(H,23,30)(H,25,27) | 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 |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of his-tagged IKKbeta after 2 hrs |
Bioorg Med Chem Lett 21: 4550-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.115
BindingDB Entry DOI: 10.7270/Q2S182V5 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50325414
((R)-(4-(6-(cyclopropylmethylamino)imidazo[1,2-b]py...)Show SMILES O=C(N1CCC[C@@H]1CN1CCCC1)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 |r| Show InChI InChI=1S/C26H32N6O/c33-26(31-15-3-4-22(31)18-30-13-1-2-14-30)21-9-7-20(8-10-21)23-17-28-25-12-11-24(29-32(23)25)27-16-19-5-6-19/h7-12,17,19,22H,1-6,13-16,18H2,(H,27,29)/t22-/m1/s1 | 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 | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKK-beta after 15 mins |
Bioorg Med Chem Lett 20: 5113-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.026
BindingDB Entry DOI: 10.7270/Q2513ZDM |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50325368
((S)-4-(6-(3-chlorobenzylamino)imidazo[1,2-b]pyrida...)Show SMILES Clc1cccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NC[C@@H]4CCCN4)n3n2)c1 |r| Show InChI InChI=1S/C25H25ClN6O/c26-20-4-1-3-17(13-20)14-28-23-10-11-24-29-16-22(32(24)31-23)18-6-8-19(9-7-18)25(33)30-15-21-5-2-12-27-21/h1,3-4,6-11,13,16,21,27H,2,5,12,14-15H2,(H,28,31)(H,30,33)/t21-/m0/s1 | 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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKK-beta after 15 mins |
Bioorg Med Chem Lett 20: 5113-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.026
BindingDB Entry DOI: 10.7270/Q2513ZDM |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50325369
(4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridaz...)Show SMILES CN(C)CCNC(=O)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 Show InChI InChI=1S/C21H26N6O/c1-26(2)12-11-22-21(28)17-7-5-16(6-8-17)18-14-24-20-10-9-19(25-27(18)20)23-13-15-3-4-15/h5-10,14-15H,3-4,11-13H2,1-2H3,(H,22,28)(H,23,25) | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKKbeta after 15 mins |
Bioorg Med Chem Lett 21: 904-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.078
BindingDB Entry DOI: 10.7270/Q26Q1XJF |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50325403
((S)-4-(6-(cyclopropylamino)imidazo[1,2-b]pyridazin...)Show SMILES O=C(NC[C@@H]1CCCN1)c1ccc(cc1)-c1cnc2ccc(NC3CC3)nn12 |r| Show InChI InChI=1S/C21H24N6O/c28-21(24-12-17-2-1-11-22-17)15-5-3-14(4-6-15)18-13-23-20-10-9-19(26-27(18)20)25-16-7-8-16/h3-6,9-10,13,16-17,22H,1-2,7-8,11-12H2,(H,24,28)(H,25,26)/t17-/m0/s1 | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKK-beta after 15 mins |
Bioorg Med Chem Lett 20: 5113-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.026
BindingDB Entry DOI: 10.7270/Q2513ZDM |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50325369
(4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridaz...)Show SMILES CN(C)CCNC(=O)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 Show InChI InChI=1S/C21H26N6O/c1-26(2)12-11-22-21(28)17-7-5-16(6-8-17)18-14-24-20-10-9-19(25-27(18)20)23-13-15-3-4-15/h5-10,14-15H,3-4,11-13H2,1-2H3,(H,22,28)(H,23,25) | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKK-beta after 15 mins |
Bioorg Med Chem Lett 20: 5113-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.026
BindingDB Entry DOI: 10.7270/Q2513ZDM |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50348922
(CHEMBL1807611)Show SMILES CN(C)CCNC(=O)c1ccc(nc1)-c1cnc2ccc(NCC3CC3)nn12 Show InChI InChI=1S/C20H25N7O/c1-26(2)10-9-21-20(28)15-5-6-16(22-12-15)17-13-24-19-8-7-18(25-27(17)19)23-11-14-3-4-14/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,21,28)(H,23,25) | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of his-tagged IKKbeta after 2 hrs |
Bioorg Med Chem Lett 21: 4550-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.115
BindingDB Entry DOI: 10.7270/Q2S182V5 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50325402
((S)-4-(6-(isopropylamino)imidazo[1,2-b]pyridazin-3...)Show SMILES CC(C)Nc1ccc2ncc(-c3ccc(cc3)C(=O)NC[C@@H]3CCCN3)n2n1 |r| Show InChI InChI=1S/C21H26N6O/c1-14(2)25-19-9-10-20-23-13-18(27(20)26-19)15-5-7-16(8-6-15)21(28)24-12-17-4-3-11-22-17/h5-10,13-14,17,22H,3-4,11-12H2,1-2H3,(H,24,28)(H,25,26)/t17-/m0/s1 | 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 | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKK-beta after 15 mins |
Bioorg Med Chem Lett 20: 5113-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.026
BindingDB Entry DOI: 10.7270/Q2513ZDM |
More data for this
Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50218464
((Z)-4-(5,7,7,10,10-pentamethyl-2-nitro-7,8,9,10-te...)Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)[N+]([O-])=O |t:9| Show InChI InChI=1S/C29H29N3O4/c1-28(2)12-13-29(3,4)22-16-25-20(15-21(22)28)26(17-6-8-18(9-7-17)27(33)34)30-23-14-19(32(35)36)10-11-24(23)31(25)5/h6-11,14-16H,12-13H2,1-5H3,(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Okayama University Graduate School of Medicine
Curated by ChEMBL
| Assay Description
Antagonist activity at RXRalpha (unknown origin) expressed in african green monkey COS1 cells assessed as inhibition of LGD1069-induced agonist activ... |
Bioorg Med Chem Lett 19: 1001-3 (2009)
Article DOI: 10.1016/j.bmcl.2008.11.086
BindingDB Entry DOI: 10.7270/Q2TH8MJW |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50348917
(CHEMBL1807606)Show SMILES CN(C)CCNC(=O)c1ccc(cc1F)-c1cnc2ccc(NCC3CC3)nn12 Show InChI InChI=1S/C21H25FN6O/c1-27(2)10-9-23-21(29)16-6-5-15(11-17(16)22)18-13-25-20-8-7-19(26-28(18)20)24-12-14-3-4-14/h5-8,11,13-14H,3-4,9-10,12H2,1-2H3,(H,23,29)(H,24,26) | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co, Ltd
Curated by ChEMBL
| Assay Description
Inhibition of his-tagged IKKbeta after 2 hrs |
Bioorg Med Chem Lett 21: 4550-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.115
BindingDB Entry DOI: 10.7270/Q2S182V5 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50325412
(CHEMBL1223206 | N-(2-aminopropyl)-4-(6-(cyclopropy...)Show SMILES CC(N)CNC(=O)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 Show InChI InChI=1S/C20H24N6O/c1-13(21)10-24-20(27)16-6-4-15(5-7-16)17-12-23-19-9-8-18(25-26(17)19)22-11-14-2-3-14/h4-9,12-14H,2-3,10-11,21H2,1H3,(H,22,25)(H,24,27) | 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 | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of purified His-tagged IKK-beta after 15 mins |
Bioorg Med Chem Lett 20: 5113-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.026
BindingDB Entry DOI: 10.7270/Q2513ZDM |
More data for this
Ligand-Target Pair | |
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