Found 2366 hits with Last Name = 'luo' and Initial = 'x' 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 PLK4
(Homo sapiens (Human)) | BDBM50073585
(CHEMBL3408945 | US10358436, Example A102 | US99078...)Show SMILES COc1ccc2N(C)C(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6CCOCC6)cc5)n[nH]c4c3)c2c1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive binding to PLK4 (unknown origin) by double reciprocal plot analysis in presence of ATP |
J Med Chem 58: 147-69 (2015)
Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK4
(Homo sapiens (Human)) | BDBM50073587
(CHEMBL3408947 | US10358436, Example A185 | US20230...)Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6C[C@H](C)O[C@H](C)C6)cc5)n[nH]c4c3)c2c1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive binding to PLK4 (unknown origin) by double reciprocal plot analysis in presence of ATP |
J Med Chem 58: 147-69 (2015)
Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50583347
(CHEMBL5080055)Show SMILES COc1ccccc1-c1c[nH]c2ncc(cc12)-c1ccc(N)c(c1)C(=O)N(C)C | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of HPK1 (unknown origin) followed by anti-GST antibody incubated for 60 mins measured after 1 hr by TR-FRET based LanthaScreen Eu-Kinase b... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00473
BindingDB Entry DOI: 10.7270/Q2C251BH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50583341
(CHEMBL5092805)Show SMILES CCc1c[nH]c2ncc(cc12)-c1ccc(N)c(C(=O)N(C)C)c1F | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of HPK1 (unknown origin) followed by anti-GST antibody incubated for 60 mins measured after 1 hr by TR-FRET based LanthaScreen Eu-Kinase b... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00473
BindingDB Entry DOI: 10.7270/Q2C251BH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50364921
(CHEMBL1950329)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CCCCC2)N(C)S(=O)(=O)c2cccs2)nc1 Show InChI InChI=1S/C27H32N4O3S2/c1-3-34-23-13-11-21(28-18-23)16-26-29-24-17-22(30(2)36(32,33)27-10-7-15-35-27)12-14-25(24)31(26)19-20-8-5-4-6-9-20/h7,10-15,17-18,20H,3-6,8-9,16,19H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description
Binding affinity to human CB2 receptor |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124
BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK4
(Homo sapiens (Human)) | BDBM50073586
(CHEMBL3408946 | US10358436, Example A198 | US99078...)Show SMILES C[C@H]1CN(Cc2ccc(\C=C\c3n[nH]c4cc(ccc34)[C@@H]3C[C@@]33C(=O)Nc4ccccc34)cc2)C[C@@H](C)O1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Competitive binding to PLK4 (unknown origin) by double reciprocal plot analysis in presence of ATP |
J Med Chem 58: 147-69 (2015)
Article DOI: 10.1021/jm5005336
BindingDB Entry DOI: 10.7270/Q2M0475V |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50244317
(2-(4-ethoxybenzyl)-1-(cyclopentylmethyl)-N,N-dieth...)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CCCC2)C(=O)N(CC)CC)cc1 Show InChI InChI=1S/C27H35N3O2/c1-4-29(5-2)27(31)22-13-16-25-24(18-22)28-26(30(25)19-21-9-7-8-10-21)17-20-11-14-23(15-12-20)32-6-3/h11-16,18,21H,4-10,17,19H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montréal
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3695-700 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN |
More data for this
Ligand-Target Pair | |
BDNF/NT-3 growth factors receptor
(Homo sapiens (Human)) | BDBM50584720
(CHEMBL5088153)Show SMILES Cc1cc(NC(=O)Nc2cc(nn2-c2ccc(Cl)cc2)C(C)(C)C)ccc1Nc1ncnc2NC(=O)C(C)(C)Oc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to TrkB (unknown origin) assessed as inhibition constant by radiometric assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01597
BindingDB Entry DOI: 10.7270/Q2377DMN |
More data for this
Ligand-Target Pair | |
NT-3 growth factor receptor
(Homo sapiens (Human)) | BDBM50584720
(CHEMBL5088153)Show SMILES Cc1cc(NC(=O)Nc2cc(nn2-c2ccc(Cl)cc2)C(C)(C)C)ccc1Nc1ncnc2NC(=O)C(C)(C)Oc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to TrkC (unknown origin) assessed as inhibition constant by radiometric assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01597
BindingDB Entry DOI: 10.7270/Q2377DMN |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50584720
(CHEMBL5088153)Show SMILES Cc1cc(NC(=O)Nc2cc(nn2-c2ccc(Cl)cc2)C(C)(C)C)ccc1Nc1ncnc2NC(=O)C(C)(C)Oc12 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to TrkA (unknown origin) assessed as inhibition constant by radiometric assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01597
BindingDB Entry DOI: 10.7270/Q2377DMN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50583348
(CHEMBL5093381) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of HPK1 (unknown origin) followed by anti-GST antibody incubated for 60 mins measured after 1 hr by TR-FRET based LanthaScreen Eu-Kinase b... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00473
BindingDB Entry DOI: 10.7270/Q2C251BH |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50244316
(2-(4-ethoxybenzyl)-1-(cyclobutylmethyl)-N,N-diethy...)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CCC2)C(=O)N(CC)CC)cc1 Show InChI InChI=1S/C26H33N3O2/c1-4-28(5-2)26(30)21-12-15-24-23(17-21)27-25(29(24)18-20-8-7-9-20)16-19-10-13-22(14-11-19)31-6-3/h10-15,17,20H,4-9,16,18H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montréal
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3695-700 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50583331
(CHEMBL5089907)Show SMILES CN(C)C(=O)c1c(N)ccc(c1F)-c1cnc2NC[C@@]3(CC[C@@H](C3)C(N)=O)c2c1Cl |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of HPK1 (unknown origin) followed by anti-GST antibody incubated for 60 mins measured after 1 hr by TR-FRET based LanthaScreen Eu-Kinase b... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00473
BindingDB Entry DOI: 10.7270/Q2C251BH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50583333
(CHEMBL5082573)Show SMILES CN(C)C(=O)c1c(N)ccc(c1F)-c1cnc2NC[C@@]3(CC[C@@](C)(C3)C(N)=O)c2c1Cl |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of HPK1 (unknown origin) followed by anti-GST antibody incubated for 60 mins measured after 1 hr by TR-FRET based LanthaScreen Eu-Kinase b... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00473
BindingDB Entry DOI: 10.7270/Q2C251BH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50583333
(CHEMBL5082573)Show SMILES CN(C)C(=O)c1c(N)ccc(c1F)-c1cnc2NC[C@@]3(CC[C@@](C)(C3)C(N)=O)c2c1Cl |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of HPK1 (unknown origin) followed by anti-GST antibody incubated for 60 mins measured after 1 hr by TR-FRET based LanthaScreen Eu-Kinase b... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00473
BindingDB Entry DOI: 10.7270/Q2C251BH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50583338
(CHEMBL5088939)Show SMILES CCc1c[nH]c2ncc(cc12)-c1ccc(N)c(c1)C(=O)N(C)C | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of HPK1 (unknown origin) followed by anti-GST antibody incubated for 60 mins measured after 1 hr by TR-FRET based LanthaScreen Eu-Kinase b... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00473
BindingDB Entry DOI: 10.7270/Q2C251BH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50583346
(CHEMBL5078234)Show SMILES CN(C)C(=O)c1c(N)ccc(c1F)-c1cnc2NCC3(CCC3)c2c1Cl | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of HPK1 (unknown origin) followed by anti-GST antibody incubated for 60 mins measured after 1 hr by TR-FRET based LanthaScreen Eu-Kinase b... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00473
BindingDB Entry DOI: 10.7270/Q2C251BH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50131550
((3S)-3-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...)Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C23H25F4N3O11P2/c24-22(25,42(36,37)38)14-5-1-12(2-6-14)9-16(20(28)34)30-21(35)17(11-19(32)33)29-18(31)10-13-3-7-15(8-4-13)23(26,27)43(39,40)41/h1-8,16-17H,9-11H2,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)(H2,36,37,38)(H2,39,40,41)/t16-,17-/m0/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
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PTP1B |
Bioorg Med Chem 18: 1773-82 (2010)
Article DOI: 10.1016/j.bmc.2010.01.055
BindingDB Entry DOI: 10.7270/Q2X06811 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50583349
(CHEMBL5083540)Show SMILES CCc1c[nH]c2ncc(-c3ccc(N)c(c3)C(=O)N(C)C)c(C)c12 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of HPK1 (unknown origin) followed by anti-GST antibody incubated for 60 mins measured after 1 hr by TR-FRET based LanthaScreen Eu-Kinase b... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00473
BindingDB Entry DOI: 10.7270/Q2C251BH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50583325
(CHEMBL5093245)Show SMILES CN(C)C(=O)c1c(N)ccc(c1F)-c1cnc2NCC3(CCCC3)c2c1Cl | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of HPK1 (unknown origin) followed by anti-GST antibody incubated for 60 mins measured after 1 hr by TR-FRET based LanthaScreen Eu-Kinase b... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00473
BindingDB Entry DOI: 10.7270/Q2C251BH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50583351
(CHEMBL5075876)Show SMILES CCc1c[nH]c2ncc(-c3ccc(N)c(c3)C(=O)N(C)C)c(Cl)c12 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of HPK1 (unknown origin) followed by anti-GST antibody incubated for 60 mins measured after 1 hr by TR-FRET based LanthaScreen Eu-Kinase b... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00473
BindingDB Entry DOI: 10.7270/Q2C251BH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM487146
(US10952995, Compound 1-3)Show SMILES CCc1c(Cl)[nH]c2ncc(cc12)-c1ccc(N)c(c1)C(=O)N(C)C Show InChI InChI=1S/C18H19ClN4O/c1-4-12-13-8-11(9-21-17(13)22-16(12)19)10-5-6-15(20)14(7-10)18(24)23(2)3/h5-9H,4,20H2,1-3H3,(H,21,22) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of HPK1 (unknown origin) followed by anti-GST antibody incubated for 60 mins measured after 1 hr by TR-FRET based LanthaScreen Eu-Kinase b... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00473
BindingDB Entry DOI: 10.7270/Q2C251BH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50583350
(CHEMBL5078580)Show SMILES CCc1c[nH]c2ncc(-c3ccc(N)c(c3)C(=O)N(C)C)c(CC)c12 | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of HPK1 (unknown origin) followed by anti-GST antibody incubated for 60 mins measured after 1 hr by TR-FRET based LanthaScreen Eu-Kinase b... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00473
BindingDB Entry DOI: 10.7270/Q2C251BH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50244319
(1-adamantan-1-ylmethyl-2-(4-ethoxy-benzyl)-1H-benz...)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC23CC4CC(CC(C4)C2)C3)C(=O)N(CC)CC)cc1 |THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18| Show InChI InChI=1S/C32H41N3O2/c1-4-34(5-2)31(36)26-9-12-29-28(17-26)33-30(16-22-7-10-27(11-8-22)37-6-3)35(29)21-32-18-23-13-24(19-32)15-25(14-23)20-32/h7-12,17,23-25H,4-6,13-16,18-21H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montréal
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3695-700 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50244060
(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-N,N-dipro...)Show SMILES CCCN(CCC)C(=O)c1ccc2n(CC3CC3)c(Cc3ccc(OCC)cc3)nc2c1 Show InChI InChI=1S/C27H35N3O2/c1-4-15-29(16-5-2)27(31)22-11-14-25-24(18-22)28-26(30(25)19-21-7-8-21)17-20-9-12-23(13-10-20)32-6-3/h9-14,18,21H,4-8,15-17,19H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montréal
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3695-700 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM60994
((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...)Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
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antibodypedia
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| CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montréal
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB1 receptor |
Bioorg Med Chem Lett 18: 3695-700 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50364921
(CHEMBL1950329)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CCCCC2)N(C)S(=O)(=O)c2cccs2)nc1 Show InChI InChI=1S/C27H32N4O3S2/c1-3-34-23-13-11-21(28-18-23)16-26-29-24-17-22(30(2)36(32,33)27-10-7-15-35-27)12-14-25(24)31(26)19-20-8-5-4-6-9-20/h7,10-15,17-18,20H,3-6,8-9,16,19H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montreal
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 1619-24 (2012)
Article DOI: 10.1016/j.bmcl.2011.12.124
BindingDB Entry DOI: 10.7270/Q24J0FJX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50583340
(CHEMBL5073693)Show SMILES CCc1c[nH]c2ncc(cc12)-c1ccc(N)c(n1)C(=O)N(C)C | PDB
NCI pathway
KEGG
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| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of HPK1 (unknown origin) followed by anti-GST antibody incubated for 60 mins measured after 1 hr by TR-FRET based LanthaScreen Eu-Kinase b... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00473
BindingDB Entry DOI: 10.7270/Q2C251BH |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK4
(Homo sapiens (Human)) | BDBM3033
(3-{23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0...)Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCC#N)c3c12 Show InChI InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29) | PDB
MMDB
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Reactome pathway
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| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
EntreMed Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PLK4 |
J Med Chem 56: 6069-87 (2013)
Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50244318
(2-(4-ethoxybenzyl)-1-(cyclohexylmethyl)-N,N-diethy...)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CCCCC2)C(=O)N(CC)CC)cc1 Show InChI InChI=1S/C28H37N3O2/c1-4-30(5-2)28(32)23-14-17-26-25(19-23)29-27(31(26)20-22-10-8-7-9-11-22)18-21-12-15-24(16-13-21)33-6-3/h12-17,19,22H,4-11,18,20H2,1-3H3 | PDB
Reactome pathway
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CHEMBL
PC cid
PC sid
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Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montréal
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3695-700 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50243706
(2-(4-ethoxybenzyl)-N,N-diethyl-1-((tetrahydro-2H-p...)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CCOCC2)C(=O)N(CC)CC)cc1 Show InChI InChI=1S/C27H35N3O3/c1-4-29(5-2)27(31)22-9-12-25-24(18-22)28-26(30(25)19-21-13-15-32-16-14-21)17-20-7-10-23(11-8-20)33-6-3/h7-12,18,21H,4-6,13-17,19H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montréal
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3695-700 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50244140
(CHEMBL517283 | N-(2-(4-ethoxybenzyl)-1-(cyclopropy...)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)CC(C)C)cc1 Show InChI InChI=1S/C26H33N3O2/c1-5-31-22-11-8-19(9-12-22)15-25-27-23-16-21(28(4)26(30)14-18(2)3)10-13-24(23)29(25)17-20-6-7-20/h8-13,16,18,20H,5-7,14-15,17H2,1-4H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montréal
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3695-700 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50244214
(CHEMBL458142 | N-(2-(4-ethoxybenzyl)-1-(cyclopropy...)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C27H34N4O2/c1-3-33-23-12-9-20(10-13-23)17-26-28-24-18-22(11-14-25(24)31(26)19-21-7-8-21)29(2)27(32)30-15-5-4-6-16-30/h9-14,18,21H,3-8,15-17,19H2,1-2H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montréal
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3695-700 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50244277
(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-N,N-dieth...)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)C(=O)N(CC)CC)cc1 Show InChI InChI=1S/C25H31N3O2/c1-4-27(5-2)25(29)20-11-14-23-22(16-20)26-24(28(23)17-19-7-8-19)15-18-9-12-21(13-10-18)30-6-3/h9-14,16,19H,4-8,15,17H2,1-3H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montréal
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3695-700 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK4
(Homo sapiens (Human)) | BDBM25117
(AG-013736 | AXITINIB | N-methyl-2-({3-[(E)-2-(pyri...)Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1 Show InChI InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| Purchase
MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
EntreMed Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human PLK4 |
J Med Chem 56: 6069-87 (2013)
Article DOI: 10.1021/jm400380m
BindingDB Entry DOI: 10.7270/Q2HM59V9 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50244276
(2-(4-ethoxybenzyl)-N,N-diethyl-1-isopentyl-1H-benz...)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)N(CC)CC)cc1 Show InChI InChI=1S/C26H35N3O2/c1-6-28(7-2)26(30)21-11-14-24-23(18-21)27-25(29(24)16-15-19(4)5)17-20-9-12-22(13-10-20)31-8-3/h9-14,18-19H,6-8,15-17H2,1-5H3 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montréal
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3695-700 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50243961
(2-(4-isopropoxybenzyl)-N,N-diethyl-1-isopentyl-1H-...)Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OC(C)C)cc3)nc2c1 Show InChI InChI=1S/C27H37N3O2/c1-7-29(8-2)27(31)22-11-14-25-24(18-22)28-26(30(25)16-15-19(3)4)17-21-9-12-23(13-10-21)32-20(5)6/h9-14,18-20H,7-8,15-17H2,1-6H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montréal
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3695-700 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50244010
(2-(4-phenoxybenzyl)-N,N-diethyl-1-isopentyl-1H-ben...)Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(Oc4ccccc4)cc3)nc2c1 Show InChI InChI=1S/C30H35N3O2/c1-5-32(6-2)30(34)24-14-17-28-27(21-24)31-29(33(28)19-18-22(3)4)20-23-12-15-26(16-13-23)35-25-10-8-7-9-11-25/h7-17,21-22H,5-6,18-20H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montréal
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3695-700 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50244178
(CHEMBL518206 | N-(2-(4-ethoxybenzyl)-1-(cyclopropy...)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)c2cccs2)cc1 Show InChI InChI=1S/C26H27N3O2S/c1-3-31-21-11-8-18(9-12-21)15-25-27-22-16-20(28(2)26(30)24-5-4-14-32-24)10-13-23(22)29(25)17-19-6-7-19/h4-5,8-14,16,19H,3,6-7,15,17H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montréal
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3695-700 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50583339
(CHEMBL5075884) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of HPK1 (unknown origin) followed by anti-GST antibody incubated for 60 mins measured after 1 hr by TR-FRET based LanthaScreen Eu-Kinase b... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00473
BindingDB Entry DOI: 10.7270/Q2C251BH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50244098
(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-N,N-bis(2...)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)C(=O)N(CC(F)(F)F)CC(F)(F)F)cc1 Show InChI InChI=1S/C25H25F6N3O2/c1-2-36-19-8-5-16(6-9-19)11-22-32-20-12-18(7-10-21(20)34(22)13-17-3-4-17)23(35)33(14-24(26,27)28)15-25(29,30)31/h5-10,12,17H,2-4,11,13-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montréal
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3695-700 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50244181
(1-(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-1H-ben...)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)NC(C)C)cc1 Show InChI InChI=1S/C25H32N4O2/c1-5-31-21-11-8-18(9-12-21)14-24-27-22-15-20(28(4)25(30)26-17(2)3)10-13-23(22)29(24)16-19-6-7-19/h8-13,15,17,19H,5-7,14,16H2,1-4H3,(H,26,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montréal
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3695-700 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50244180
(1-(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-1H-ben...)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)N(C)C(=O)N(CC)CC)cc1 Show InChI InChI=1S/C26H34N4O2/c1-5-29(6-2)26(31)28(4)21-12-15-24-23(17-21)27-25(30(24)18-20-8-9-20)16-19-10-13-22(14-11-19)32-7-3/h10-15,17,20H,5-9,16,18H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montréal
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3695-700 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50583336
(CHEMBL5091391)Show SMILES CN(C)C(=O)c1c(N)ccc(c1F)-c1cnc2NC[C@@]3(CC[C@]4(C3)CCCNC4=O)c2c1Cl |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of HPK1 (unknown origin) preincubated for 30 mins with compound followed by Biotin-SLP-76 substrate in presence of ATP incubated for 60 mi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00473
BindingDB Entry DOI: 10.7270/Q2C251BH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50244096
((2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-1H-benzo...)Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CC2CC2)C(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C26H31N3O2/c1-2-31-22-11-8-19(9-12-22)16-25-27-23-17-21(26(30)28-14-4-3-5-15-28)10-13-24(23)29(25)18-20-6-7-20/h8-13,17,20H,2-7,14-16,18H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montréal
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3695-700 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50583337
(CHEMBL5081453)Show SMILES CN(C)C(=O)c1c(N)ccc(c1F)-c1cnc2NC[C@@]3(CC[C@]4(C3)CCCCNC4=O)c2c1Cl |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of HPK1 (unknown origin) preincubated for 30 mins with compound followed by Biotin-SLP-76 substrate in presence of ATP incubated for 60 mi... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00473
BindingDB Entry DOI: 10.7270/Q2C251BH |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50244059
(2-(4-ethoxybenzyl)-1-(cyclopropylmethyl)-N-methyl-...)Show SMILES CCCN(C)C(=O)c1ccc2n(CC3CC3)c(Cc3ccc(OCC)cc3)nc2c1 Show InChI InChI=1S/C25H31N3O2/c1-4-14-27(3)25(29)20-10-13-23-22(16-20)26-24(28(23)17-19-6-7-19)15-18-8-11-21(12-9-18)30-5-2/h8-13,16,19H,4-7,14-15,17H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montréal
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human CB2 receptor |
Bioorg Med Chem Lett 18: 3695-700 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.073
BindingDB Entry DOI: 10.7270/Q2J38SBN |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50584720
(CHEMBL5088153)Show SMILES Cc1cc(NC(=O)Nc2cc(nn2-c2ccc(Cl)cc2)C(C)(C)C)ccc1Nc1ncnc2NC(=O)C(C)(C)Oc12 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to TrkA G595R mutant (unknown origin) assessed as inhibition constant by radiometric assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01597
BindingDB Entry DOI: 10.7270/Q2377DMN |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50583327
(CHEMBL5093838)Show SMILES CN(C)C(=O)c1c(N)ccc(c1F)-c1cnc2NC[C@@]3(CC[C@](C)(O)C3)c2c1Cl |r| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of HPK1 (unknown origin) followed by anti-GST antibody incubated for 60 mins measured after 1 hr by TR-FRET based LanthaScreen Eu-Kinase b... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00473
BindingDB Entry DOI: 10.7270/Q2C251BH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 1
(Homo sapiens (Human)) | BDBM50583328
(CHEMBL5084042)Show SMILES CN(C)C(=O)c1c(N)ccc(c1F)-c1cnc2NC[C@]3(CC[C@@](C)(O)CC3)c2c1Cl |r,wU:22.24,19.19,(57.58,-11.9,;58.92,-11.13,;58.92,-9.59,;60.26,-11.9,;60.26,-13.44,;61.6,-11.13,;62.94,-11.9,;62.94,-13.45,;64.28,-11.13,;64.27,-9.58,;62.93,-8.81,;61.6,-9.58,;60.27,-8.82,;62.92,-7.27,;61.59,-6.51,;61.58,-4.97,;62.92,-4.18,;63.24,-2.67,;64.77,-2.51,;65.39,-3.92,;66.47,-2.83,;67.95,-3.24,;68.35,-4.71,;69.44,-5.79,;69.83,-4.31,;67.26,-5.8,;65.79,-5.4,;64.25,-4.96,;64.26,-6.5,;65.6,-7.26,)| | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of HPK1 (unknown origin) followed by anti-GST antibody incubated for 60 mins measured after 1 hr by TR-FRET based LanthaScreen Eu-Kinase b... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00473
BindingDB Entry DOI: 10.7270/Q2C251BH |
More data for this
Ligand-Target Pair | |
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