Found 115 hits with Last Name = 'hassan' and Initial = 'he' 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 |
|---|
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86950
(CAS_5462505 | NSC_5462505 | heterocodeine)Show SMILES COC1C=CC2C3Cc4ccc(O)c5OC1C2(CCN3C)c45 |c:3,TLB:4:5:19.18.17:7.8.21| Show InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,11-12,14,17,20H,7-9H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86258
(CAS_23552-18-3 | Morphine | NSC_5980)Show SMILES CN1CCC23C4Oc5c2c(CC1C3C=CC4O)ccc5O |c:16,TLB:13:12:1.2.3:10.9.8| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86957
(6-desoxymorphine | CAS_44450262 | NSC_44450262)Show SMILES CN1CCC23C4CC=CC2C1Cc1ccc(O)c(O4)c31 |c:7,TLB:8:9:1.2.3:11.12.19| Show InChI InChI=1S/C17H19NO2/c1-18-8-7-17-11-3-2-4-14(17)20-16-13(19)6-5-10(15(16)17)9-12(11)18/h2-3,5-6,11-12,14,19H,4,7-9H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM86957
(6-desoxymorphine | CAS_44450262 | NSC_44450262)Show SMILES CN1CCC23C4CC=CC2C1Cc1ccc(O)c(O4)c31 |c:7,TLB:8:9:1.2.3:11.12.19| Show InChI InChI=1S/C17H19NO2/c1-18-8-7-17-11-3-2-4-14(17)20-16-13(19)6-5-10(15(16)17)9-12(11)18/h2-3,5-6,11-12,14,19H,4,7-9H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM86950
(CAS_5462505 | NSC_5462505 | heterocodeine)Show SMILES COC1C=CC2C3Cc4ccc(O)c5OC1C2(CCN3C)c45 |c:3,TLB:4:5:19.18.17:7.8.21| Show InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,11-12,14,17,20H,7-9H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86952
(7,8-dihydro-3,6-didesoxymorphine | CAS_22816300 | ...)Show SMILES CN1CCC23C4CCCC2C1Cc1cccc(O4)c31 |TLB:8:9:1.2.3:11.12.18| Show InChI InChI=1S/C17H21NO/c1-18-9-8-17-12-5-3-7-15(17)19-14-6-2-4-11(16(14)17)10-13(12)18/h2,4,6,12-13,15H,3,5,7-10H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM86957
(6-desoxymorphine | CAS_44450262 | NSC_44450262)Show SMILES CN1CCC23C4CC=CC2C1Cc1ccc(O)c(O4)c31 |c:7,TLB:8:9:1.2.3:11.12.19| Show InChI InChI=1S/C17H19NO2/c1-18-8-7-17-11-3-2-4-14(17)20-16-13(19)6-5-10(15(16)17)9-12(11)18/h2-3,5-6,11-12,14,19H,4,7-9H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 45.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM86258
(CAS_23552-18-3 | Morphine | NSC_5980)Show SMILES CN1CCC23C4Oc5c2c(CC1C3C=CC4O)ccc5O |c:16,TLB:13:12:1.2.3:10.9.8| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 65.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM86950
(CAS_5462505 | NSC_5462505 | heterocodeine)Show SMILES COC1C=CC2C3Cc4ccc(O)c5OC1C2(CCN3C)c45 |c:3,TLB:4:5:19.18.17:7.8.21| Show InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,11-12,14,17,20H,7-9H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 65.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM86258
(CAS_23552-18-3 | Morphine | NSC_5980)Show SMILES CN1CCC23C4Oc5c2c(CC1C3C=CC4O)ccc5O |c:16,TLB:13:12:1.2.3:10.9.8| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86955
(7,8-dihydro-3-desoxymorphine | CAS_16039356 | NSC_...)Show SMILES CN1CCC23C4Oc5cccc(CC1C2CCC4O)c35 |TLB:15:14:1.2.3:12.11.19| Show InChI InChI=1S/C17H21NO2/c1-18-8-7-17-11-5-6-13(19)16(17)20-14-4-2-3-10(15(14)17)9-12(11)18/h2-4,11-13,16,19H,5-9H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 122 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50520846
(CHEMBL4461911)Show SMILES COc1ccc(Oc2nc(Nc3ccc(nc3)N3CCOCC3)ncc2NC(=O)c2cc(OC)cc(OC)c2)cc1 Show InChI InChI=1S/C29H30N6O6/c1-37-21-5-7-22(8-6-21)41-28-25(33-27(36)19-14-23(38-2)16-24(15-19)39-3)18-31-29(34-28)32-20-4-9-26(30-17-20)35-10-12-40-13-11-35/h4-9,14-18H,10-13H2,1-3H3,(H,33,36)(H,31,32,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology (KIST)
Curated by ChEMBL
| Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate after 120 mins in presence of [gamma-33P]-ATP by filtration method |
Eur J Med Chem 162: 161-175 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.057
BindingDB Entry DOI: 10.7270/Q29K4FM7 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM86952
(7,8-dihydro-3,6-didesoxymorphine | CAS_22816300 | ...)Show SMILES CN1CCC23C4CCCC2C1Cc1cccc(O4)c31 |TLB:8:9:1.2.3:11.12.18| Show InChI InChI=1S/C17H21NO/c1-18-9-8-17-12-5-3-7-15(17)19-14-6-2-4-11(16(14)17)10-13(12)18/h2,4,6,12-13,15H,3,5,7-10H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 241 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86954
(6-desoxycodeine | CAS_5492830 | NSC_5492830)Show SMILES COc1ccc2CC3C4C=CCC5Oc1c2C45CCN3C |c:9,THB:9:8:19.18.17:6.5.15| Show InChI InChI=1S/C18H21NO2/c1-19-9-8-18-12-4-3-5-15(18)21-17-14(20-2)7-6-11(16(17)18)10-13(12)19/h3-4,6-7,12-13,15H,5,8-10H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 305 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86953
(7,8-dihydro-3-desoxyheterocodeine | CAS_24828463 |...)Show SMILES COC1CCC2C3Cc4cccc5OC1C2(CCN3C)c45 |TLB:4:5:18.17.16:7.8.20| Show InChI InChI=1S/C18H23NO2/c1-19-9-8-18-12-6-7-15(20-2)17(18)21-14-5-3-4-11(16(14)18)10-13(12)19/h3-5,12-13,15,17H,6-10H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 524 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | |
Death-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50520846
(CHEMBL4461911)Show SMILES COc1ccc(Oc2nc(Nc3ccc(nc3)N3CCOCC3)ncc2NC(=O)c2cc(OC)cc(OC)c2)cc1 Show InChI InChI=1S/C29H30N6O6/c1-37-21-5-7-22(8-6-21)41-28-25(33-27(36)19-14-23(38-2)16-24(15-19)39-3)18-31-29(34-28)32-20-4-9-26(30-17-20)35-10-12-40-13-11-35/h4-9,14-18H,10-13H2,1-3H3,(H,33,36)(H,31,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 581 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology (KIST)
Curated by ChEMBL
| Assay Description
Inhibition of human DAPK1 (1 to 363 residues) using KKLNRTLSFAEPG as substrate after 120 mins [gamma-33P]-ATP by filtration method |
Eur J Med Chem 162: 161-175 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.057
BindingDB Entry DOI: 10.7270/Q29K4FM7 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM86952
(7,8-dihydro-3,6-didesoxymorphine | CAS_22816300 | ...)Show SMILES CN1CCC23C4CCCC2C1Cc1cccc(O4)c31 |TLB:8:9:1.2.3:11.12.18| Show InChI InChI=1S/C17H21NO/c1-18-9-8-17-12-5-3-7-15(17)19-14-6-2-4-11(16(14)17)10-13(12)18/h2,4,6,12-13,15H,3,5,7-10H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 589 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM82266
(CAS_29485-83-4 | CODEINE SULFATE | Codeine | NSC_2...)Show SMILES COc1ccc2CC3C4C=CC(O)C5Oc1c2C45CCN3C |c:9,THB:9:8:20.19.18:6.5.16| Show InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 727 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM86956
(CAS_5492619 | NSC_5492619 | codeine-6-methyl ether)Show SMILES COC1C=CC2C3Cc4ccc(OC)c5OC1C2(CCN3C)c45 |c:3,TLB:4:5:20.19.18:7.8.22| Show InChI InChI=1S/C19H23NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,12-13,15,18H,8-10H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM86954
(6-desoxycodeine | CAS_5492830 | NSC_5492830)Show SMILES COc1ccc2CC3C4C=CCC5Oc1c2C45CCN3C |c:9,THB:9:8:19.18.17:6.5.15| Show InChI InChI=1S/C18H21NO2/c1-19-9-8-18-12-4-3-5-15(18)21-17-14(20-2)7-6-11(16(17)18)10-13(12)19/h3-4,6-7,12-13,15H,5,8-10H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM86956
(CAS_5492619 | NSC_5492619 | codeine-6-methyl ether)Show SMILES COC1C=CC2C3Cc4ccc(OC)c5OC1C2(CCN3C)c45 |c:3,TLB:4:5:20.19.18:7.8.22| Show InChI InChI=1S/C19H23NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,12-13,15,18H,8-10H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM86955
(7,8-dihydro-3-desoxymorphine | CAS_16039356 | NSC_...)Show SMILES CN1CCC23C4Oc5cccc(CC1C2CCC4O)c35 |TLB:15:14:1.2.3:12.11.19| Show InChI InChI=1S/C17H21NO2/c1-18-8-7-17-11-5-6-13(19)16(17)20-14-4-2-3-10(15(14)17)9-12(11)18/h2-4,11-13,16,19H,5-9H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM86955
(7,8-dihydro-3-desoxymorphine | CAS_16039356 | NSC_...)Show SMILES CN1CCC23C4Oc5cccc(CC1C2CCC4O)c35 |TLB:15:14:1.2.3:12.11.19| Show InChI InChI=1S/C17H21NO2/c1-18-8-7-17-11-5-6-13(19)16(17)20-14-4-2-3-10(15(14)17)9-12(11)18/h2-4,11-13,16,19H,5-9H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM86956
(CAS_5492619 | NSC_5492619 | codeine-6-methyl ether)Show SMILES COC1C=CC2C3Cc4ccc(OC)c5OC1C2(CCN3C)c45 |c:3,TLB:4:5:20.19.18:7.8.22| Show InChI InChI=1S/C19H23NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,12-13,15,18H,8-10H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM86953
(7,8-dihydro-3-desoxyheterocodeine | CAS_24828463 |...)Show SMILES COC1CCC2C3Cc4cccc5OC1C2(CCN3C)c45 |TLB:4:5:18.17.16:7.8.20| Show InChI InChI=1S/C18H23NO2/c1-19-9-8-18-12-6-7-15(20-2)17(18)21-14-5-3-4-11(16(14)18)10-13(12)19/h3-5,12-13,15,17H,6-10H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM82266
(CAS_29485-83-4 | CODEINE SULFATE | Codeine | NSC_2...)Show SMILES COc1ccc2CC3C4C=CC(O)C5Oc1c2C45CCN3C |c:9,THB:9:8:20.19.18:6.5.16| Show InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM82266
(CAS_29485-83-4 | CODEINE SULFATE | Codeine | NSC_2...)Show SMILES COc1ccc2CC3C4C=CC(O)C5Oc1c2C45CCN3C |c:9,THB:9:8:20.19.18:6.5.16| Show InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM86953
(7,8-dihydro-3-desoxyheterocodeine | CAS_24828463 |...)Show SMILES COC1CCC2C3Cc4cccc5OC1C2(CCN3C)c45 |TLB:4:5:18.17.16:7.8.20| Show InChI InChI=1S/C18H23NO2/c1-19-9-8-18-12-6-7-15(20-2)17(18)21-14-5-3-4-11(16(14)18)10-13(12)19/h3-5,12-13,15,17H,6-10H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland
Curated by PDSP Ki Database
| |
J Med Chem 51: 2316-20 (2008)
Article DOI: 10.1021/jm701457j
BindingDB Entry DOI: 10.7270/Q2G15ZFM |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50117930
((4-{1-[2-(6-Methyl-pyridin-2-yl)-ethyl]-piperidine...)Show SMILES Cc1cccc(CCN2CCC(CC2)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1 Show InChI InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology (KIST)
Curated by ChEMBL
| Assay Description
Inhibition of red tracer binding to human ERG expressed in membranes preincubated for 10 to 15 mins followed by tracer addition measured after 3 hrs ... |
Eur J Med Chem 162: 161-175 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.057
BindingDB Entry DOI: 10.7270/Q29K4FM7 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50520846
(CHEMBL4461911)Show SMILES COc1ccc(Oc2nc(Nc3ccc(nc3)N3CCOCC3)ncc2NC(=O)c2cc(OC)cc(OC)c2)cc1 Show InChI InChI=1S/C29H30N6O6/c1-37-21-5-7-22(8-6-21)41-28-25(33-27(36)19-14-23(38-2)16-24(15-19)39-3)18-31-29(34-28)32-20-4-9-26(30-17-20)35-10-12-40-13-11-35/h4-9,14-18H,10-13H2,1-3H3,(H,33,36)(H,31,32,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology (KIST)
Curated by ChEMBL
| Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate after 120 mins in presence of 1 uM [gamma-33P]-ATP by filtration method |
Eur J Med Chem 162: 161-175 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.057
BindingDB Entry DOI: 10.7270/Q29K4FM7 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50520848
(CHEMBL4464585)Show SMILES COc1ccc(Oc2nc(Nc3ccc(cc3)N3CCOCC3)ncc2NC(=O)c2cc(OC)cc(OC)c2)cc1 Show InChI InChI=1S/C30H31N5O6/c1-37-23-8-10-24(11-9-23)41-29-27(33-28(36)20-16-25(38-2)18-26(17-20)39-3)19-31-30(34-29)32-21-4-6-22(7-5-21)35-12-14-40-15-13-35/h4-11,16-19H,12-15H2,1-3H3,(H,33,36)(H,31,32,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology (KIST)
Curated by ChEMBL
| Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate after 120 mins in presence of 10 uM [gamma-33P]-ATP by filtration method |
Eur J Med Chem 162: 161-175 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.057
BindingDB Entry DOI: 10.7270/Q29K4FM7 |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50520846
(CHEMBL4461911)Show SMILES COc1ccc(Oc2nc(Nc3ccc(nc3)N3CCOCC3)ncc2NC(=O)c2cc(OC)cc(OC)c2)cc1 Show InChI InChI=1S/C29H30N6O6/c1-37-21-5-7-22(8-6-21)41-28-25(33-27(36)19-14-23(38-2)16-24(15-19)39-3)18-31-29(34-28)32-20-4-9-26(30-17-20)35-10-12-40-13-11-35/h4-9,14-18H,10-13H2,1-3H3,(H,33,36)(H,31,32,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology (KIST)
Curated by ChEMBL
| Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate after 120 mins in presence of 10 uM [gamma-33P]-ATP by filtration method |
Eur J Med Chem 162: 161-175 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.057
BindingDB Entry DOI: 10.7270/Q29K4FM7 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50550913
(CHEMBL4798160)Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)C#N)cc3)C2=O)CC1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate pretreated for 10 mins followed measured after 2 hrs by TR-... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50550913
(CHEMBL4798160)Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)C#N)cc3)C2=O)CC1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 204 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins followed by substrate addition and me... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50550928
(CHEMBL4750150)Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)[N+]([O-])=O)cc3)C2=O)CC1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 219 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins followed by substrate addition and me... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50550928
(CHEMBL4750150)Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)[N+]([O-])=O)cc3)C2=O)CC1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 219 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins followed by substrate addition and me... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50550928
(CHEMBL4750150)Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)[N+]([O-])=O)cc3)C2=O)CC1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate pretreated for 10 mins followed measured after 2 hrs by TR-... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50470411
(CHEMBL4294525)Show SMILES Fc1ccc(Oc2ccc(\C=C3/SC(=O)N(C3=O)c3ccc(OCCCCCN4CCN(CC5CC5)CC4)cc3)cc2)cc1 Show InChI InChI=1S/C35H38FN3O4S/c36-28-8-14-32(15-9-28)43-31-12-6-26(7-13-31)24-33-34(40)39(35(41)44-33)29-10-16-30(17-11-29)42-23-3-1-2-18-37-19-21-38(22-20-37)25-27-4-5-27/h6-17,24,27H,1-5,18-23,25H2/b33-24- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology (KIST)
Curated by ChEMBL
| Assay Description
Irreversible inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate measured after 60 mins |
Eur J Med Chem 157: 691-704 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50550928
(CHEMBL4750150)Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)[N+]([O-])=O)cc3)C2=O)CC1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins followed by substrate addition and me... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50550913
(CHEMBL4798160)Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)C#N)cc3)C2=O)CC1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins followed by substrate addition and me... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50470412
(CHEMBL4288137)Show SMILES Clc1cc(\C=C2/SC(=O)N(C2=O)c2ccc(OCCCN3CCN(CC4CC4)CC3)cc2)ccc1N1CCOCC1 Show InChI InChI=1S/C31H37ClN4O4S/c32-27-20-24(4-9-28(27)35-15-18-39-19-16-35)21-29-30(37)36(31(38)41-29)25-5-7-26(8-6-25)40-17-1-10-33-11-13-34(14-12-33)22-23-2-3-23/h4-9,20-21,23H,1-3,10-19,22H2/b29-21- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology (KIST)
Curated by ChEMBL
| Assay Description
Irreversible inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate measured after 40 mins |
Eur J Med Chem 157: 691-704 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50470412
(CHEMBL4288137)Show SMILES Clc1cc(\C=C2/SC(=O)N(C2=O)c2ccc(OCCCN3CCN(CC4CC4)CC3)cc2)ccc1N1CCOCC1 Show InChI InChI=1S/C31H37ClN4O4S/c32-27-20-24(4-9-28(27)35-15-18-39-19-16-35)21-29-30(37)36(31(38)41-29)25-5-7-26(8-6-25)40-17-1-10-33-11-13-34(14-12-33)22-23-2-3-23/h4-9,20-21,23H,1-3,10-19,22H2/b29-21- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 252 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology (KIST)
Curated by ChEMBL
| Assay Description
Irreversible inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate measured after 60 mins |
Eur J Med Chem 157: 691-704 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50520846
(CHEMBL4461911)Show SMILES COc1ccc(Oc2nc(Nc3ccc(nc3)N3CCOCC3)ncc2NC(=O)c2cc(OC)cc(OC)c2)cc1 Show InChI InChI=1S/C29H30N6O6/c1-37-21-5-7-22(8-6-21)41-28-25(33-27(36)19-14-23(38-2)16-24(15-19)39-3)18-31-29(34-28)32-20-4-9-26(30-17-20)35-10-12-40-13-11-35/h4-9,14-18H,10-13H2,1-3H3,(H,33,36)(H,31,32,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 273 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology (KIST)
Curated by ChEMBL
| Assay Description
Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate after 120 mins in presence of 100 uM [gamma-33P]-ATP by filtration method |
Eur J Med Chem 162: 161-175 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.057
BindingDB Entry DOI: 10.7270/Q29K4FM7 |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50470412
(CHEMBL4288137)Show SMILES Clc1cc(\C=C2/SC(=O)N(C2=O)c2ccc(OCCCN3CCN(CC4CC4)CC3)cc2)ccc1N1CCOCC1 Show InChI InChI=1S/C31H37ClN4O4S/c32-27-20-24(4-9-28(27)35-15-18-39-19-16-35)21-29-30(37)36(31(38)41-29)25-5-7-26(8-6-25)40-17-1-10-33-11-13-34(14-12-33)22-23-2-3-23/h4-9,20-21,23H,1-3,10-19,22H2/b29-21- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 288 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology (KIST)
Curated by ChEMBL
| Assay Description
Irreversible inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate measured after 20 mins |
Eur J Med Chem 157: 691-704 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50470411
(CHEMBL4294525)Show SMILES Fc1ccc(Oc2ccc(\C=C3/SC(=O)N(C3=O)c3ccc(OCCCCCN4CCN(CC5CC5)CC4)cc3)cc2)cc1 Show InChI InChI=1S/C35H38FN3O4S/c36-28-8-14-32(15-9-28)43-31-12-6-26(7-13-31)24-33-34(40)39(35(41)44-33)29-10-16-30(17-11-29)42-23-3-1-2-18-37-19-21-38(22-20-37)25-27-4-5-27/h6-17,24,27H,1-5,18-23,25H2/b33-24- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 299 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology (KIST)
Curated by ChEMBL
| Assay Description
Irreversible inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate measured after 40 mins |
Eur J Med Chem 157: 691-704 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50470411
(CHEMBL4294525)Show SMILES Fc1ccc(Oc2ccc(\C=C3/SC(=O)N(C3=O)c3ccc(OCCCCCN4CCN(CC5CC5)CC4)cc3)cc2)cc1 Show InChI InChI=1S/C35H38FN3O4S/c36-28-8-14-32(15-9-28)43-31-12-6-26(7-13-31)24-33-34(40)39(35(41)44-33)29-10-16-30(17-11-29)42-23-3-1-2-18-37-19-21-38(22-20-37)25-27-4-5-27/h6-17,24,27H,1-5,18-23,25H2/b33-24- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology (KIST)
Curated by ChEMBL
| Assay Description
Irreversible inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate measured after 20 mins |
Eur J Med Chem 157: 691-704 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50550913
(CHEMBL4798160)Show SMILES CN1CCN(CCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)C#N)cc3)C2=O)CC1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 347 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins followed by substrate addition and me... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50550928
(CHEMBL4750150)Show SMILES CN1CCN(CCCCCOc2cccc(c2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(cc4)[N+]([O-])=O)cc3)C2=O)CC1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 347 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Allosteric inhibition of IKKbeta (unknown origin) using 5FAM-GRHDSGLDSMK-NH2 as substrate incubated for 10 mins followed by substrate addition and me... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.111955
BindingDB Entry DOI: 10.7270/Q2MS3XCC |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50470412
(CHEMBL4288137)Show SMILES Clc1cc(\C=C2/SC(=O)N(C2=O)c2ccc(OCCCN3CCN(CC4CC4)CC3)cc2)ccc1N1CCOCC1 Show InChI InChI=1S/C31H37ClN4O4S/c32-27-20-24(4-9-28(27)35-15-18-39-19-16-35)21-29-30(37)36(31(38)41-29)25-5-7-26(8-6-25)40-17-1-10-33-11-13-34(14-12-33)22-23-2-3-23/h4-9,20-21,23H,1-3,10-19,22H2/b29-21- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 372 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology (KIST)
Curated by ChEMBL
| Assay Description
Irreversible inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate measured immediately |
Eur J Med Chem 157: 691-704 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50470411
(CHEMBL4294525)Show SMILES Fc1ccc(Oc2ccc(\C=C3/SC(=O)N(C3=O)c3ccc(OCCCCCN4CCN(CC5CC5)CC4)cc3)cc2)cc1 Show InChI InChI=1S/C35H38FN3O4S/c36-28-8-14-32(15-9-28)43-31-12-6-26(7-13-31)24-33-34(40)39(35(41)44-33)29-10-16-30(17-11-29)42-23-3-1-2-18-37-19-21-38(22-20-37)25-27-4-5-27/h6-17,24,27H,1-5,18-23,25H2/b33-24- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology (KIST)
Curated by ChEMBL
| Assay Description
Inhibition of IKKbeta (unknown origin) using IkappaBalpha-derived 5FAMGRHDSGLDSMK-NH2 as substrate preincubated for 10 mins followed by substrate add... |
Eur J Med Chem 157: 691-704 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.020
BindingDB Entry DOI: 10.7270/Q2RJ4N5K |
More data for this
Ligand-Target Pair | |
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