Found 436 hits with Last Name = 'simpson' and Initial = 'gl' 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 |
|---|
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50115622
(2-Pyridazin-3-yl-9-aza-bicyclo[4.2.1]non-2-ene | C...)Show SMILES C1CC2N[C@H]1CCC=C2c1cccnn1 |c:8,THB:9:8:3:1.0| Show InChI InChI=1S/C12H15N3/c1-3-9-6-7-11(14-9)10(4-1)12-5-2-8-13-15-12/h2,4-5,8-9,11,14H,1,3,6-7H2/t9-,11?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 68.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Binding affinity at rat brain Nicotinic acetylcholine receptor alpha7 |
J Med Chem 45: 3235-45 (2002)
BindingDB Entry DOI: 10.7270/Q22N530X |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50110260
(2-Pyridin-3-yl-9-aza-bicyclo[4.2.1]non-2-ene | 2-P...)Show SMILES C1CC2N[C@H]1CCC=C2c1cccnc1 |c:8,THB:9:8:3:1.0| Show InChI InChI=1S/C13H16N2/c1-4-11-6-7-13(15-11)12(5-1)10-3-2-8-14-9-10/h2-3,5,8-9,11,13,15H,1,4,6-7H2/t11-,13?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Binding affinity at rat brain Nicotinic acetylcholine receptor alpha7 |
J Med Chem 45: 3235-45 (2002)
BindingDB Entry DOI: 10.7270/Q22N530X |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
PubMed
| 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Binding affinity at rat brain Nicotinic acetylcholine receptor alpha7 |
J Med Chem 45: 3235-45 (2002)
BindingDB Entry DOI: 10.7270/Q22N530X |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50110259
(2-Pyrimidin-5-yl-9-aza-bicyclo[4.2.1]non-2-ene | C...)Show SMILES C1CC2N[C@H]1CCC=C2c1cncnc1 |c:8,THB:9:8:3:1.0| Show InChI InChI=1S/C12H15N3/c1-2-10-4-5-12(15-10)11(3-1)9-6-13-8-14-7-9/h3,6-8,10,12,15H,1-2,4-5H2/t10-,12?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 1.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Binding affinity at rat brain Nicotinic acetylcholine receptor alpha7 |
J Med Chem 45: 3235-45 (2002)
BindingDB Entry DOI: 10.7270/Q22N530X |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50110258
((6S)-2-(6-chloropyridin-3-yl)-9-azabicyclo[4.2.1]n...)Show SMILES Clc1ccc(cn1)C1=CCC[C@H]2CCC1N2 |t:8,THB:4:7:15:13.12| Show InChI InChI=1S/C13H15ClN2/c14-13-7-4-9(8-15-13)11-3-1-2-10-5-6-12(11)16-10/h3-4,7-8,10,12,16H,1-2,5-6H2/t10-,12?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Binding affinity at rat brain Nicotinic acetylcholine receptor alpha7 |
J Med Chem 45: 3235-45 (2002)
BindingDB Entry DOI: 10.7270/Q22N530X |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50110263
(2-Pyrazin-2-yl-9-aza-bicyclo[4.2.1]non-2-ene | CHE...)Show SMILES C1CC2N[C@H]1CCC=C2c1cnccn1 |c:8,THB:9:8:3:1.0| Show InChI InChI=1S/C12H15N3/c1-2-9-4-5-11(15-9)10(3-1)12-8-13-6-7-14-12/h3,6-9,11,15H,1-2,4-5H2/t9-,11?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 5.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Binding affinity at rat brain Nicotinic acetylcholine receptor alpha7 |
J Med Chem 45: 3235-45 (2002)
BindingDB Entry DOI: 10.7270/Q22N530X |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50115624
(2-Pyridin-2-yl-9-aza-bicyclo[4.2.1]non-2-ene | CHE...)Show SMILES C1CC2N[C@H]1CCC=C2c1ccccn1 |c:8,THB:9:8:3:1.0| Show InChI InChI=1S/C13H16N2/c1-2-9-14-12(6-1)11-5-3-4-10-7-8-13(11)15-10/h1-2,5-6,9-10,13,15H,3-4,7-8H2/t10-,13?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 4.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Binding affinity at rat brain Nicotinic acetylcholine receptor alpha7 |
J Med Chem 45: 3235-45 (2002)
BindingDB Entry DOI: 10.7270/Q22N530X |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50115623
(2-Pyridin-4-yl-9-aza-bicyclo[4.2.1]non-2-ene | CHE...)Show SMILES C1CC2N[C@H]1CCC=C2c1ccncc1 |c:8,THB:9:8:3:1.0| Show InChI InChI=1S/C13H16N2/c1-2-11-4-5-13(15-11)12(3-1)10-6-8-14-9-7-10/h3,6-9,11,13,15H,1-2,4-5H2/t11-,13?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description
Binding affinity at rat brain Nicotinic acetylcholine receptor alpha7 |
J Med Chem 45: 3235-45 (2002)
BindingDB Entry DOI: 10.7270/Q22N530X |
More data for this
Ligand-Target Pair | |
Cytoplasmic tyrosine-protein kinase BMX
(Homo sapiens (Human)) | BDBM645786
(US20240018153, Compound I-65)Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3ccc(OCc4c(F)c(F)c(F)c(F)c4S(C)(=O)=O)cc3)n2)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cytoplasmic tyrosine-protein kinase BMX
(Homo sapiens (Human)) | BDBM645787
(US20240018153, Compound I-47)Show SMILES CN(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)NCCNc1ncnc2[nH]ccc12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50118668
(CHEMBL3617086)Show SMILES CCCCc1cc(=O)n2nc(NCc3c(F)cc(Br)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H16BrF2N5O/c1-2-3-4-11-7-16(27)26-18(24-11)12(8-22)17(25-26)23-9-13-14(20)5-10(19)6-15(13)21/h5-7,24H,2-4,9H2,1H3,(H,23,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ... |
J Med Chem 58: 7140-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00313
BindingDB Entry DOI: 10.7270/Q2T43VWK |
More data for this
Ligand-Target Pair | |
Cytoplasmic tyrosine-protein kinase BMX
(Homo sapiens (Human)) | BDBM645785
(US20240018153, Compound I-41)Show SMILES CN(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)NCCCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cytoplasmic tyrosine-protein kinase BMX
(Homo sapiens (Human)) | BDBM645784
(US20240018153, Compound I-25)Show SMILES Nc1ncnc2n(CCNS(=O)(=O)c3c(F)c(F)c(F)c(F)c3OCF)nc(-c3ccc(Oc4ccccc4)cc3)c12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cytoplasmic tyrosine-protein kinase BMX
(Homo sapiens (Human)) | BDBM645783
(US20240018153, Compound I-56)Show SMILES COCCOc1ccc(Nc2ncc(F)c(NCCCNS(=O)(=O)c3c(F)c(F)c(F)c(F)c3CF)n2)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cytoplasmic tyrosine-protein kinase BMX
(Homo sapiens (Human)) | BDBM645782
(US20240018153, Compound I-26)Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCN(C1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1OC(F)F |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM645781
(US20240018153, Compound I-53)Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NS(=O)(=O)c4c(F)c(F)c(F)c(F)c4C(F)(F)F)c3)n2)cc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cytoplasmic tyrosine-protein kinase BMX
(Homo sapiens (Human)) | BDBM645788
(US20240018153, Compound I-48)Show SMILES NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)NCCNc1ncnc2[nH]ccc12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cytoplasmic tyrosine-protein kinase BMX
(Homo sapiens (Human)) | BDBM645780
(US20240018153, Compound I-50)Show SMILES CS(=O)(=O)c1c(F)c(F)c(F)c(F)c1CNCCNc1ncnc2[nH]ccc12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cytoplasmic tyrosine-protein kinase BMX
(Homo sapiens (Human)) | BDBM645775
(US20240018153, Compound I-42)Show SMILES Nc1ncnc2n(CCNC(=O)c3c(F)c(F)c(F)c(F)c3S(N)(=O)=O)nc(-c3ccc(Oc4ccccc4)cc3)c12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cytoplasmic tyrosine-protein kinase BMX
(Homo sapiens (Human)) | BDBM645789
(US20240018153, Compound I-28)Show SMILES CN(CCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)C(=O)c1c(F)c(F)c(F)c(F)c1S(C)(=O)=O | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cytoplasmic tyrosine-protein kinase BMX
(Homo sapiens (Human)) | BDBM645777
(US20240018153, Compound I-34)Show SMILES Nc1ncnc2n(CCCNC(=O)c3c(F)c(F)c(F)c(F)c3S(N)(=O)=O)nc(-c3ccc(Oc4ccccc4)cc3)c12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cytoplasmic tyrosine-protein kinase BMX
(Homo sapiens (Human)) | BDBM645767
(US20240018153, Compound I-38)Show SMILES CS(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)NCCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cytoplasmic tyrosine-protein kinase BMX
(Homo sapiens (Human)) | BDBM645768
(US20240018153, Compound I-37)Show SMILES C[S@](=O)c1c(F)c(F)c(F)c(F)c1C(=O)N1CC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM645781
(US20240018153, Compound I-53)Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NS(=O)(=O)c4c(F)c(F)c(F)c(F)c4C(F)(F)F)c3)n2)cc1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM645787
(US20240018153, Compound I-47)Show SMILES CN(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)NCCNc1ncnc2[nH]ccc12 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM645790
(US20240018153, Compound I-52)Show SMILES COCCOc1ccc(Nc2ncc(F)c(NCCCNS(=O)(=O)c3c(F)c(F)c(F)c(F)c3C(F)F)n2)cc1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM645791
(US20240018153, Compound I-55)Show SMILES COCCOc1ccc(Nc2ncc(F)c(NCCCNS(=O)(=O)c3c(F)c(F)c(F)c(F)c3OC(F)F)n2)cc1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM645792
(US20240018153, Compound I-61)Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)c4c(F)c(F)c(F)c(F)c4S(C)(=O)=O)c3)n2)cc1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
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Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM645774
(US20240018153, Compound I-32)Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CN(C1)C(=O)c1c(F)c(F)c(F)c(F)c1S(N)(=O)=O | PDB
Reactome pathway
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More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM645765
(US20240018153, Compound I-27)Show SMILES CS(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)N1CC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM645792
(US20240018153, Compound I-61)Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)c4c(F)c(F)c(F)c(F)c4S(C)(=O)=O)c3)n2)cc1 | PDB
KEGG
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TBA
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More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM645793
(US20240018153, Compound I-54)Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NS(=O)(=O)c4c(F)c(F)c(F)c(F)c4OC(F)F)c3)n2)cc1 | PDB
KEGG
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TBA
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More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM645794
(US20240018153, Compound I-57)Show SMILES COCCOc1ccc(Nc2ncc(F)c(NCCCNS(=O)(=O)c3c(F)c(F)c(F)c(F)c3OCF)n2)cc1 | PDB
KEGG
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TBA
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More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM645789
(US20240018153, Compound I-28)Show SMILES CN(CCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)C(=O)c1c(F)c(F)c(F)c(F)c1S(C)(=O)=O | PDB
KEGG
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TBA
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More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM645795
(US20240018153, Compound I-58)Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NS(=O)(=O)c4c(F)c(F)c(F)c(F)c4CF)c3)n2)cc1 | PDB
KEGG
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| PC cid
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| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM645779
(US20240018153, Compound I-62)Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)c4c(F)c(F)c(F)c(F)c4[S@](C)=O)c3)n2)cc1 |r| | PDB
KEGG
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TBA
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More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM645777
(US20240018153, Compound I-34)Show SMILES Nc1ncnc2n(CCCNC(=O)c3c(F)c(F)c(F)c(F)c3S(N)(=O)=O)nc(-c3ccc(Oc4ccccc4)cc3)c12 | PDB
KEGG
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TBA
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More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM645796
(US20240018153, Compound I-59)Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)c4c(F)c(F)c(F)c(F)c4S(=O)(=O)N(C)C)c3)n2)cc1 | PDB
KEGG
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| PC cid
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| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM645781
(US20240018153, Compound I-53)Show SMILES COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NS(=O)(=O)c4c(F)c(F)c(F)c(F)c4C(F)(F)F)c3)n2)cc1 | PDB
KEGG
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| PC cid
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| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM645797
(US20240018153, Compound I-30)Show SMILES CN(C)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)N(C)CCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 | PDB
KEGG
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More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM645782
(US20240018153, Compound I-26)Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCN(C1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1OC(F)F |r| | PDB
KEGG
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| PC cid
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| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 4
(Homo sapiens (Human)) | BDBM645766
(US20240018153, Compound I-39)Show SMILES CS(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)NCCCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 | PDB
KEGG
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| PC cid
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| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM645765
(US20240018153, Compound I-27)Show SMILES CS(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)N1CC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 | PDB
MMDB
KEGG
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| PC cid
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TBA
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More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM645766
(US20240018153, Compound I-39)Show SMILES CS(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)NCCCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 | PDB
MMDB
KEGG
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| PC cid
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| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM645764
(US20240018153, Compound I-1)Show SMILES Fc1ccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(NS(=O)(=O)c4c(F)c(F)c(F)c(F)c4C(F)(F)F)cc23)cc1Cl |r| | PDB
MMDB
KEGG
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TBA
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More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM645768
(US20240018153, Compound I-37)Show SMILES C[S@](=O)c1c(F)c(F)c(F)c(F)c1C(=O)N1CC(C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r| | PDB
MMDB
KEGG
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B.MOAD
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| PC cid
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UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM645769
(US20240018153, Compound I-2)Show SMILES CS(=O)(=O)c1c(F)c(F)c(F)c(F)c1Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| | PDB
MMDB
KEGG
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B.MOAD
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| PC cid
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UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM645770
(US20240018153, Compound I-3)Show SMILES CS(=O)c1c(F)c(F)c(F)c(F)c1C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1 | PDB
MMDB
KEGG
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B.MOAD
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| PC cid
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UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM645771
(US20240018153, Compound I-4)Show SMILES CS(=O)c1c(F)c(F)c(F)c(F)c1Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| | PDB
MMDB
KEGG
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| PC cid
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| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM645772
(US20240018153, Compound I-5)Show SMILES CS(=O)(=O)c1c(F)c(F)c(F)c(F)c1C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r| | PDB
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Ligand-Target Pair | |
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