Found 1806 hits with Last Name = 'kurumbail' and Initial = 'rg' 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 |
|---|
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50466897
(CHEMBL4287715)Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3cc(ccn3)C#N)ccc12 Show InChI InChI=1S/C27H29N5O2/c1-31-17-23(19-9-12-32(13-10-19)27(34)20-4-2-3-5-20)22-15-21(6-7-25(22)31)30-26(33)24-14-18(16-28)8-11-29-24/h6-8,11,14-15,17,19-20H,2-5,9-10,12-13H2,1H3,(H,30,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Karo Bio AB (now Karo Pharma AB)
Curated by ChEMBL
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cell... |
J Med Chem 61: 10415-10439 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00392
BindingDB Entry DOI: 10.7270/Q27P922T |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50466891
(CHEMBL4281109)Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCCC2)c2cc(NC(=O)c3cc(ccn3)C#N)ccc12 Show InChI InChI=1S/C28H31N5O2/c1-32-18-24(20-10-13-33(14-11-20)28(35)21-5-3-2-4-6-21)23-16-22(7-8-26(23)32)31-27(34)25-15-19(17-29)9-12-30-25/h7-9,12,15-16,18,20-21H,2-6,10-11,13-14H2,1H3,(H,31,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Karo Bio AB (now Karo Pharma AB)
Curated by ChEMBL
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cell... |
J Med Chem 61: 10415-10439 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00392
BindingDB Entry DOI: 10.7270/Q27P922T |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50466893
(CHEMBL4291727)Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3cccc(c3)C#N)ccc12 Show InChI InChI=1S/C28H30N4O2/c1-31-18-25(20-11-13-32(14-12-20)28(34)21-6-2-3-7-21)24-16-23(9-10-26(24)31)30-27(33)22-8-4-5-19(15-22)17-29/h4-5,8-10,15-16,18,20-21H,2-3,6-7,11-14H2,1H3,(H,30,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Karo Bio AB (now Karo Pharma AB)
Curated by ChEMBL
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cell... |
J Med Chem 61: 10415-10439 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00392
BindingDB Entry DOI: 10.7270/Q27P922T |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50466892
(CHEMBL4283871)Show SMILES O=C(Nc1ccc2[nH]cc(C3CCN(CC3)C(=O)C3CCCC3)c2c1)c1cccc(c1)C#N Show InChI InChI=1S/C27H28N4O2/c28-16-18-4-3-7-21(14-18)26(32)30-22-8-9-25-23(15-22)24(17-29-25)19-10-12-31(13-11-19)27(33)20-5-1-2-6-20/h3-4,7-9,14-15,17,19-20,29H,1-2,5-6,10-13H2,(H,30,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Karo Bio AB (now Karo Pharma AB)
Curated by ChEMBL
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cell... |
J Med Chem 61: 10415-10439 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00392
BindingDB Entry DOI: 10.7270/Q27P922T |
More data for this
Ligand-Target Pair | |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50466913
(CHEMBL4289304)Show SMILES CCn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3cc(ccn3)C#N)ccc12 Show InChI InChI=1S/C28H31N5O2/c1-2-32-18-24(20-10-13-33(14-11-20)28(35)21-5-3-4-6-21)23-16-22(7-8-26(23)32)31-27(34)25-15-19(17-29)9-12-30-25/h7-9,12,15-16,18,20-21H,2-6,10-11,13-14H2,1H3,(H,31,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Karo Bio AB (now Karo Pharma AB)
Curated by ChEMBL
| Assay Description
Displacement of [3H]-25-hydroxycholesterol from human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cell... |
J Med Chem 61: 10415-10439 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00392
BindingDB Entry DOI: 10.7270/Q27P922T |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336181
(1-(4-{[3-Carbamoyl-1-(4-fluorophenyl)-4,5-dihydro-...)Show SMILES Cn1cc(CN2CCN(C(C2)C(O)=O)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cn1 Show InChI InChI=1S/C34H31ClFN9O4/c1-42-16-19(14-39-42)17-43-10-11-44(28(18-43)34(48)49)29-13-26(27(35)15-38-29)33(47)40-22-6-2-20-3-9-24-30(32(37)46)41-45(31(24)25(20)12-22)23-7-4-21(36)5-8-23/h2,4-8,12-16,28H,3,9-11,17-18H2,1H3,(H2,37,46)(H,40,47)(H,48,49) | 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 | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IKK2 in human PBMC |
Bioorg Med Chem 19: 1242-55 (2011)
Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336163
(8-[(5-Chloro-2-{4-[(1-methyl-1H-pyrazol-4-yl)methy...)Show SMILES NC(=O)c1nn(c-2c1CCc1ccc(NC(=O)c3cc(ncc3Cl)N3CCN(Cc4cnn(CC(O)=O)c4)CC3)cc-21)-c1ccc(F)cc1 Show InChI InChI=1S/C34H31ClFN9O4/c35-28-16-38-29(43-11-9-42(10-12-43)17-20-15-39-44(18-20)19-30(46)47)14-27(28)34(49)40-23-5-1-21-2-8-25-31(33(37)48)41-45(32(25)26(21)13-23)24-6-3-22(36)4-7-24/h1,3-7,13-16,18H,2,8-12,17,19H2,(H2,37,48)(H,40,49)(H,46,47) | 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 | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IKK2 in human PBMC |
Bioorg Med Chem 19: 1242-55 (2011)
Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336172
(8-(5-chloro-2-(4-hydroxypiperidin-1-yl)isonicotina...)Show SMILES NC(=O)c1nn(c-2c1CCc1ccc(NC(=O)c3cc(ncc3Cl)N3CCC(O)CC3)cc-21)-c1ccc(F)cc1 Show InChI InChI=1S/C29H26ClFN6O3/c30-24-15-33-25(36-11-9-20(38)10-12-36)14-23(24)29(40)34-18-5-1-16-2-8-21-26(28(32)39)35-37(27(21)22(16)13-18)19-6-3-17(31)4-7-19/h1,3-7,13-15,20,38H,2,8-12H2,(H2,32,39)(H,34,40) | 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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IKK2 in human PBMC |
Bioorg Med Chem 19: 1242-55 (2011)
Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336173
(8-(5-chloro-2-(2-methoxyethylamino)isonicotinamido...)Show SMILES COCCNc1cc(C(=O)Nc2ccc3CCc4c(nn(c4-c3c2)-c2ccc(F)cc2)C(N)=O)c(Cl)cn1 Show InChI InChI=1S/C27H24ClFN6O3/c1-38-11-10-31-23-13-21(22(28)14-32-23)27(37)33-17-6-2-15-3-9-19-24(26(30)36)34-35(25(19)20(15)12-17)18-7-4-16(29)5-8-18/h2,4-8,12-14H,3,9-11H2,1H3,(H2,30,36)(H,31,32)(H,33,37) | 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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IKK2 in human PBMC |
Bioorg Med Chem 19: 1242-55 (2011)
Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50297122
((R)-10-Methyl-9,10,11,12-tetrahydro-7-thia-4,9,12-...)Show InChI InChI=1S/C15H13N3OS/c1-8-7-17-13-12-9-3-2-6-16-10(9)4-5-11(12)20-14(13)15(19)18-8/h2-6,8,17H,7H2,1H3,(H,18,19)/t8-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 |
Bioorg Med Chem Lett 19: 4882-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.017
BindingDB Entry DOI: 10.7270/Q2J38SM7 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336193
(8-{[2-(4-{[1-(2-Amino-2-oxoethyl)-1H-pyrazol-4-yl]...)Show SMILES NC(=O)Cn1cc(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cn1 Show InChI InChI=1S/C34H32ClFN10O3/c35-28-16-39-30(44-11-9-43(10-12-44)17-20-15-40-45(18-20)19-29(37)47)14-27(28)34(49)41-23-5-1-21-2-8-25-31(33(38)48)42-46(32(25)26(21)13-23)24-6-3-22(36)4-7-24/h1,3-7,13-16,18H,2,8-12,17,19H2,(H2,37,47)(H2,38,48)(H,41,49) | 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 | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IKK2 in human PBMC |
Bioorg Med Chem 19: 1242-55 (2011)
Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]
(Homo sapiens (Human)) | BDBM50508758
(CHEMBL4460909 | US11312713, Example 82)Show SMILES CN1CC(n2c(Cn3cc(C)nn3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1 Show InChI InChI=1S/C19H18ClF2N7/c1-11-7-28(26-25-11)9-17-24-15-6-23-14-4-3-12(20)5-13(14)18(15)29(17)16-8-27(2)10-19(16,21)22/h3-7,16H,8-10H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.938 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat #PV4874) was incub... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FN19C7 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336199
(8-[(5-Chloro-2-{4-[(1-{2-[(2-hydroxyethyl)amino]-2...)Show SMILES NC(=O)c1nn(c-2c1CCc1ccc(NC(=O)c3cc(ncc3Cl)N3CCN(Cc4cnn(CC(=O)NCCO)c4)CC3)cc-21)-c1ccc(F)cc1 Show InChI InChI=1S/C36H36ClFN10O4/c37-30-18-41-31(46-12-10-45(11-13-46)19-22-17-42-47(20-22)21-32(50)40-9-14-49)16-29(30)36(52)43-25-5-1-23-2-8-27-33(35(39)51)44-48(34(27)28(23)15-25)26-6-3-24(38)4-7-26/h1,3-7,15-18,20,49H,2,8-14,19,21H2,(H2,39,51)(H,40,50)(H,43,52) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IKK2 in human PBMC |
Bioorg Med Chem 19: 1242-55 (2011)
Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336176
(CHEMBL1669565 | Ethyl [4-({4-[4-({[3-(aminocarbony...)Show SMILES CCOC(=O)Cn1cc(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cn1 Show InChI InChI=1S/C36H35ClFN9O4/c1-2-51-32(48)21-46-20-22(17-41-46)19-44-11-13-45(14-12-44)31-16-29(30(37)18-40-31)36(50)42-25-7-3-23-4-10-27-33(35(39)49)43-47(34(27)28(23)15-25)26-8-5-24(38)6-9-26/h3,5-9,15-18,20H,2,4,10-14,19,21H2,1H3,(H2,39,49)(H,42,50) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IKK2 in human PBMC |
Bioorg Med Chem 19: 1242-55 (2011)
Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50297120
((R)-9-Methyl-8,9,10,11-tetrahydro-3-oxa-6-thia-8,1...)Show InChI InChI=1S/C14H12N2O2S/c1-7-6-15-12-11-8-4-5-18-9(8)2-3-10(11)19-13(12)14(17)16-7/h2-5,7,15H,6H2,1H3,(H,16,17)/t7-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 |
Bioorg Med Chem Lett 19: 4882-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.017
BindingDB Entry DOI: 10.7270/Q2J38SM7 |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50297122
((R)-10-Methyl-9,10,11,12-tetrahydro-7-thia-4,9,12-...)Show InChI InChI=1S/C15H13N3OS/c1-8-7-17-13-12-9-3-2-6-16-10(9)4-5-11(12)20-14(13)15(19)18-8/h2-6,8,17H,7H2,1H3,(H,18,19)/t8-/m1/s1 | PDB
MMDB
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 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of MK2 |
Bioorg Med Chem Lett 19: 4882-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.017
BindingDB Entry DOI: 10.7270/Q2J38SM7 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336190
(CHEMBL1669596 | Methyl [4-({4-[4-({[3-(aminocarbon...)Show SMILES COC(=O)Cn1cc(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cn1 Show InChI InChI=1S/C35H33ClFN9O4/c1-50-31(47)20-45-19-21(16-40-45)18-43-10-12-44(13-11-43)30-15-28(29(36)17-39-30)35(49)41-24-6-2-22-3-9-26-32(34(38)48)42-46(33(26)27(22)14-24)25-7-4-23(37)5-8-25/h2,4-8,14-17,19H,3,9-13,18,20H2,1H3,(H2,38,48)(H,41,49) | 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 | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IKK2 in human PBMC |
Bioorg Med Chem 19: 1242-55 (2011)
Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]
(Homo sapiens (Human)) | BDBM551353
(8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-...)Show SMILES CN1CC(n2c(Cc3cnc(C)cn3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat #PV4874) was incub... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FN19C7 |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]
(Homo sapiens (Human)) | BDBM551327
(8-Chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-...)Show SMILES CN1C[C@H](n2c(Cn3cncn3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat #PV4874) was incub... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FN19C7 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336170
(8-(5-chloro-2-(4-methylpiperazin-1-yl)isonicotinam...)Show SMILES CN1CCN(CC1)c1cc(C(=O)Nc2ccc3CCc4c(nn(c4-c3c2)-c2cccc(O)c2)C(N)=O)c(Cl)cn1 Show InChI InChI=1S/C29H28ClN7O3/c1-35-9-11-36(12-10-35)25-15-23(24(30)16-32-25)29(40)33-18-7-5-17-6-8-21-26(28(31)39)34-37(27(21)22(17)13-18)19-3-2-4-20(38)14-19/h2-5,7,13-16,38H,6,8-12H2,1H3,(H2,31,39)(H,33,40) | 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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IKK2 in human PBMC |
Bioorg Med Chem 19: 1242-55 (2011)
Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336191
(2-methoxyethyl 2-(4-((4-(4-(3-carbamoyl-1-(4-fluor...)Show SMILES COCCOC(=O)Cn1cc(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cn1 Show InChI InChI=1S/C37H37ClFN9O5/c1-52-14-15-53-33(49)22-47-21-23(18-42-47)20-45-10-12-46(13-11-45)32-17-30(31(38)19-41-32)37(51)43-26-6-2-24-3-9-28-34(36(40)50)44-48(35(28)29(24)16-26)27-7-4-25(39)5-8-27/h2,4-8,16-19,21H,3,9-15,20,22H2,1H3,(H2,40,50)(H,43,51) | 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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IKK2 in human PBMC |
Bioorg Med Chem 19: 1242-55 (2011)
Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336197
(8-[(5-Chloro-2-{4-[(1-{2-[(2-methoxyethyl)amino]-2...)Show SMILES COCCNC(=O)Cn1cc(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cn1 Show InChI InChI=1S/C37H38ClFN10O4/c1-53-15-10-41-33(50)22-48-21-23(18-43-48)20-46-11-13-47(14-12-46)32-17-30(31(38)19-42-32)37(52)44-26-6-2-24-3-9-28-34(36(40)51)45-49(35(28)29(24)16-26)27-7-4-25(39)5-8-27/h2,4-8,16-19,21H,3,9-15,20,22H2,1H3,(H2,40,51)(H,41,50)(H,44,52) | 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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IKK2 in human PBMC |
Bioorg Med Chem 19: 1242-55 (2011)
Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]
(Homo sapiens (Human)) | BDBM551352
(8-chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-...)Show SMILES CN1CC(n2c(Cn3nnc(C)n3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat #PV4874) was incub... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FN19C7 |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]
(Homo sapiens (Human)) | BDBM551326
(8-Chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-...)Show SMILES COCc1cn(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@@H]2CN(C)CC2(F)F)nn1 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat #PV4874) was incub... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FN19C7 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336194
(8-({5-Chloro-2-[4-({1-[2-(methylamino)-2-oxoethyl]...)Show SMILES CNC(=O)Cn1cc(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cn1 Show InChI InChI=1S/C35H34ClFN10O3/c1-39-31(48)20-46-19-21(16-41-46)18-44-10-12-45(13-11-44)30-15-28(29(36)17-40-30)35(50)42-24-6-2-22-3-9-26-32(34(38)49)43-47(33(26)27(22)14-24)25-7-4-23(37)5-8-25/h2,4-8,14-17,19H,3,9-13,18,20H2,1H3,(H2,38,49)(H,39,48)(H,42,50) | 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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IKK2 in human PBMC |
Bioorg Med Chem 19: 1242-55 (2011)
Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]
(Homo sapiens (Human)) | BDBM551350
(8-chloro-2-[(4-cyclopropyl-1H-1,2,3-triazol-1- yl)...)Show SMILES CN1CC(n2c(Cn3cc(nn3)C3CC3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.42 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat #PV4874) was incub... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FN19C7 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50308585
(8-{[5-Chloro-2-(4-methylpiperazin-1-yl)isonicotino...)Show SMILES CN1CCN(CC1)c1cc(C(=O)Nc2ccc3CCc4c(nn(c4-c3c2)-c2ccc(F)cc2)C(N)=O)c(Cl)cn1 Show InChI InChI=1S/C29H27ClFN7O2/c1-36-10-12-37(13-11-36)25-15-23(24(30)16-33-25)29(40)34-19-6-2-17-3-9-21-26(28(32)39)35-38(27(21)22(17)14-19)20-7-4-18(31)5-8-20/h2,4-8,14-16H,3,9-13H2,1H3,(H2,32,39)(H,34,40) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IKK2 in human PBMC |
Bioorg Med Chem 19: 1242-55 (2011)
Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50167837
(3-Amino-N-((R)-sec-butyl)-5-{1-[(4-carbamimidoyl-b...)Show SMILES CC[C@@H](C)NC(=O)c1cc(N)cc(c1)-c1cnc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C28H36N8O3/c1-5-17(4)35-27(38)21-10-20(11-22(29)12-21)23-14-33-26(34-16(2)3)28(39)36(23)15-24(37)32-13-18-6-8-19(9-7-18)25(30)31/h6-12,14,16-17H,5,13,15,29H2,1-4H3,(H3,30,31)(H,32,37)(H,33,34)(H,35,38)/t17-/m1/s1 | 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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Corp.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Coagulation factor VIIa |
Bioorg Med Chem Lett 15: 3006-11 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.037
BindingDB Entry DOI: 10.7270/Q2SB459T |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50308590
(8-({5-Chloro-2-[4-(2-methoxyethyl)piperazin-1-yl]i...)Show SMILES COCCN1CCN(CC1)c1cc(C(=O)Nc2ccc3CCc4c(nn(c4-c3c2)-c2ccc(F)cc2)C(N)=O)c(Cl)cn1 Show InChI InChI=1S/C31H31ClFN7O3/c1-43-15-14-38-10-12-39(13-11-38)27-17-25(26(32)18-35-27)31(42)36-21-6-2-19-3-9-23-28(30(34)41)37-40(29(23)24(19)16-21)22-7-4-20(33)5-8-22/h2,4-8,16-18H,3,9-15H2,1H3,(H2,34,41)(H,36,42) | 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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IKK2 in human PBMC |
Bioorg Med Chem 19: 1242-55 (2011)
Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336183
(8-({5-Chloro-2-[4-(1H-pyrazol-4-ylmethyl)piperazin...)Show SMILES NC(=O)c1nn(c-2c1CCc1ccc(NC(=O)c3cc(ncc3Cl)N3CCN(Cc4cn[nH]c4)CC3)cc-21)-c1ccc(F)cc1 Show InChI InChI=1S/C32H29ClFN9O2/c33-27-17-36-28(42-11-9-41(10-12-42)18-19-15-37-38-16-19)14-26(27)32(45)39-22-5-1-20-2-8-24-29(31(35)44)40-43(30(24)25(20)13-22)23-6-3-21(34)4-7-23/h1,3-7,13-17H,2,8-12,18H2,(H2,35,44)(H,37,38)(H,39,45) | 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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IKK2 in human PBMC |
Bioorg Med Chem 19: 1242-55 (2011)
Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50059318
(CHEMBL3393356 | US9156845, 78)Show InChI InChI=1S/C17H14FN5O/c18-15-11(8-19)2-1-3-12(15)13-9-20-16-14(13)17(22-10-21-16)23-4-6-24-7-5-23/h1-3,9-10H,4-7H2,(H,20,21,22) | PDB
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CHEMBL
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PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Pfizer Inc.
US Patent
| Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu... |
US Patent US9156845 (2015)
BindingDB Entry DOI: 10.7270/Q2DB80MW |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336195
(7.12.6. 8-({5-Chloro-2-[4-({1-[2-(isopropylamino)-...)Show SMILES CC(C)NC(=O)Cn1cc(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cn1 Show InChI InChI=1S/C37H38ClFN10O3/c1-22(2)43-33(50)21-48-20-23(17-42-48)19-46-11-13-47(14-12-46)32-16-30(31(38)18-41-32)37(52)44-26-7-3-24-4-10-28-34(36(40)51)45-49(35(28)29(24)15-26)27-8-5-25(39)6-9-27/h3,5-9,15-18,20,22H,4,10-14,19,21H2,1-2H3,(H2,40,51)(H,43,50)(H,44,52) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IKK2 in human PBMC |
Bioorg Med Chem 19: 1242-55 (2011)
Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 2
(Homo sapiens (Human)) | BDBM50297124
((R)-3-Chloro-10-methyl-9,10,11,12-tetrahydro-7-thi...)Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Cl)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C15H12ClN3OS/c1-7-6-17-13-12-8-2-5-11(16)19-9(8)3-4-10(12)21-14(13)15(20)18-7/h2-5,7,17H,6H2,1H3,(H,18,20)/t7-/m1/s1 | PDB
MMDB
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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of MK2 |
Bioorg Med Chem Lett 19: 4882-4 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.017
BindingDB Entry DOI: 10.7270/Q2J38SM7 |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM50332752
((2R)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoro...)Show SMILES CC(C)COc1c(Cl)cc2C=C([C@@H](Oc2c1Cl)C(F)(F)F)C(O)=O |r,c:10| Show InChI InChI=1S/C15H13Cl2F3O4/c1-6(2)5-23-12-9(16)4-7-3-8(14(21)22)13(15(18,19)20)24-11(7)10(12)17/h3-4,6,13H,5H2,1-2H3,(H,21,22)/t13-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human COX1 |
Bioorg Med Chem Lett 20: 7159-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.054
BindingDB Entry DOI: 10.7270/Q23X86W1 |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]
(Homo sapiens (Human)) | BDBM551399
(8-chloro-2-[(5-methylpyrazin-2-yl)methyl]-1- [(2R,...)Show SMILES C[C@@H]1C[C@@H](CCO1)n1c(Cc2cnc(C)cn2)nc2cnc3ccc(Cl)cc3c12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat #PV4874) was incub... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FN19C7 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336188
(8-{[5-Chloro-2-(4-{[1-(3-hydroxypropyl)-1H-pyrazol...)Show SMILES NC(=O)c1nn(c-2c1CCc1ccc(NC(=O)c3cc(ncc3Cl)N3CCN(Cc4cnn(CCCO)c4)CC3)cc-21)-c1ccc(F)cc1 Show InChI InChI=1S/C35H35ClFN9O3/c36-30-19-39-31(44-13-11-43(12-14-44)20-22-18-40-45(21-22)10-1-15-47)17-29(30)35(49)41-25-6-2-23-3-9-27-32(34(38)48)42-46(33(27)28(23)16-25)26-7-4-24(37)5-8-26/h2,4-8,16-19,21,47H,1,3,9-15,20H2,(H2,38,48)(H,41,49) | 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 | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IKK2 in human PBMC |
Bioorg Med Chem 19: 1242-55 (2011)
Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336169
(8-(5-chloro-2-(4-methylpiperazin-1-yl)isonicotinam...)Show SMILES CN1CCN(CC1)c1cc(C(=O)Nc2ccc3CCc4c(nn(c4-c3c2)-c2ccc(Cl)c(O)c2)C(N)=O)c(Cl)cn1 Show InChI InChI=1S/C29H27Cl2N7O3/c1-36-8-10-37(11-9-36)25-14-21(23(31)15-33-25)29(41)34-17-4-2-16-3-6-19-26(28(32)40)35-38(27(19)20(16)12-17)18-5-7-22(30)24(39)13-18/h2,4-5,7,12-15,39H,3,6,8-11H2,1H3,(H2,32,40)(H,34,41) | 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 | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IKK2 in human PBMC |
Bioorg Med Chem 19: 1242-55 (2011)
Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336196
(8-({5-Chloro-2-[4-({1-[2-(dimethylamino)-2-oxoethy...)Show SMILES CN(C)C(=O)Cn1cc(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cn1 Show InChI InChI=1S/C36H36ClFN10O3/c1-44(2)32(49)21-47-20-22(17-41-47)19-45-11-13-46(14-12-45)31-16-29(30(37)18-40-31)36(51)42-25-7-3-23-4-10-27-33(35(39)50)43-48(34(27)28(23)15-25)26-8-5-24(38)6-9-26/h3,5-9,15-18,20H,4,10-14,19,21H2,1-2H3,(H2,39,50)(H,42,51) | 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 | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IKK2 in human PBMC |
Bioorg Med Chem 19: 1242-55 (2011)
Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM551326
(8-Chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-...)Show SMILES COCc1cn(Cc2nc3cnc4ccc(Cl)cc4c3n2[C@@H]2CN(C)CC2(F)F)nn1 |r| | PDB
KEGG
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 2.35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat #PV4874) was incub... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FN19C7 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336198
(8-{[5-Chloro-2-(4-{[1-(2-{[2-(methylthio)ethyl]ami...)Show SMILES CSCCNC(=O)Cn1cc(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cn1 Show InChI InChI=1S/C37H38ClFN10O3S/c1-53-15-10-41-33(50)22-48-21-23(18-43-48)20-46-11-13-47(14-12-46)32-17-30(31(38)19-42-32)37(52)44-26-6-2-24-3-9-28-34(36(40)51)45-49(35(28)29(24)16-26)27-7-4-25(39)5-8-27/h2,4-8,16-19,21H,3,9-15,20,22H2,1H3,(H2,40,51)(H,41,50)(H,44,52) | 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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IKK2 in human PBMC |
Bioorg Med Chem 19: 1242-55 (2011)
Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM551388
(1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-8-fluoro-...)Show SMILES CN1CC(n2c(Cc3cn4nc(C)sc4n3)nc3cnc4ccc(F)cc4c23)C(F)(F)C1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.62 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat #PV4874) was incub... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FN19C7 |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM551327
(8-Chloro-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)-...)Show SMILES CN1C[C@H](n2c(Cn3cncn3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1 |r| | PDB
KEGG
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.77 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat #PV4874) was incub... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FN19C7 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336186
(8-{[5-Chloro-2-(4-{[1-(3-methoxypropyl)-1H-pyrazol...)Show SMILES COCCCn1cc(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cn1 Show InChI InChI=1S/C36H37ClFN9O3/c1-50-16-2-11-46-22-23(19-41-46)21-44-12-14-45(15-13-44)32-18-30(31(37)20-40-32)36(49)42-26-7-3-24-4-10-28-33(35(39)48)43-47(34(28)29(24)17-26)27-8-5-25(38)6-9-27/h3,5-9,17-20,22H,2,4,10-16,21H2,1H3,(H2,39,48)(H,42,49) | 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 | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IKK2 in human PBMC |
Bioorg Med Chem 19: 1242-55 (2011)
Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336168
(8-(5-chloro-2-(4-methylpiperazin-1-yl)isonicotinam...)Show SMILES CN1CCN(CC1)c1cc(C(=O)Nc2ccc3CCc4c(nn(c4-c3c2)-c2ccc(O)c(Cl)c2)C(N)=O)c(Cl)cn1 Show InChI InChI=1S/C29H27Cl2N7O3/c1-36-8-10-37(11-9-36)25-14-21(23(31)15-33-25)29(41)34-17-4-2-16-3-6-19-26(28(32)40)35-38(27(19)20(16)12-17)18-5-7-24(39)22(30)13-18/h2,4-5,7,12-15,39H,3,6,8-11H2,1H3,(H2,32,40)(H,34,41) | 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 | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IKK2 in human PBMC |
Bioorg Med Chem 19: 1242-55 (2011)
Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM551350
(8-chloro-2-[(4-cyclopropyl-1H-1,2,3-triazol-1- yl)...)Show SMILES CN1CC(n2c(Cn3cc(nn3)C3CC3)nc3cnc4ccc(Cl)cc4c23)C(F)(F)C1 | PDB
KEGG
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B.MOAD
antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat #PV4874) was incub... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FN19C7 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50336179
(8-(5-chloro-2-(4-((1,5-dimethyl-1H-pyrazol-4-yl)me...)Show SMILES Cc1c(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cnn1C Show InChI InChI=1S/C34H33ClFN9O2/c1-20-22(17-39-42(20)2)19-43-11-13-44(14-12-43)30-16-28(29(35)18-38-30)34(47)40-24-7-3-21-4-10-26-31(33(37)46)41-45(32(26)27(21)15-24)25-8-5-23(36)6-9-25/h3,5-9,15-18H,4,10-14,19H2,1-2H3,(H2,37,46)(H,40,47) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant IKK2 in human PBMC |
Bioorg Med Chem 19: 1242-55 (2011)
Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]
(Homo sapiens (Human)) | BDBM551361
(8-chloro-1-[(2R,4R)-2-methyltetrahydro-2H- pyran-4...)Show SMILES C[C@@H]1C[C@@H](CCO1)n1c(Cc2nccs2)nc2cnc3ccc(Cl)cc3c12 |r| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat #PV4874) was incub... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2FN19C7 |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50059318
(CHEMBL3393356 | US9156845, 78)Show InChI InChI=1S/C17H14FN5O/c18-15-11(8-19)2-1-3-12(15)13-9-20-16-14(13)17(22-10-21-16)23-4-6-24-7-5-23/h1-3,9-10H,4-7H2,(H,20,21,22) | PDB
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged truncated human recombinant LRRK2 using fluorescein-labeled LRRKtide peptide substrate incubated for 2 hrs |
J Med Chem 58: 419-32 (2015)
Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50059277
(CHEMBL3393348 | US9156845, 4)Show InChI InChI=1S/C17H15N5O/c18-9-12-2-1-3-13(8-12)14-10-19-16-15(14)17(21-11-20-16)22-4-6-23-7-5-22/h1-3,8,10-11H,4-7H2,(H,19,20,21) | PDB
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CHEMBL
MCE
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PDB
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| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged truncated human recombinant LRRK2 using fluorescein-labeled LRRKtide peptide substrate incubated for 2 hrs |
J Med Chem 58: 419-32 (2015)
Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM50331873
(5,6-dichloro-2-(trifluoromethyl)-2H-chromene-3-car...)Show SMILES OC(=O)C1=Cc2c(OC1C(F)(F)F)ccc(Cl)c2Cl |t:3| Show InChI InChI=1S/C11H5Cl2F3O3/c12-6-1-2-7-4(8(6)13)3-5(10(17)18)9(19-7)11(14,15)16/h1-3,9H,(H,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human COX-2 |
Bioorg Med Chem Lett 20: 7155-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.053
BindingDB Entry DOI: 10.7270/Q2513ZF2 |
More data for this
Ligand-Target Pair | |
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