Found 338 hits with Last Name = 'lena' and Initial = 'g' 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 |
|---|
Purine nucleoside phosphorylase
(Toxoplasma gondii) | BDBM50200328
((4S,8R,9aS)-4-benzyl-8-(benzyloxy)-hexahydro-1H-py...)Show SMILES O=C1N[C@@H]2C[C@H](CN2C(=O)[C@H](Cc2ccccc2)N1)OCc1ccccc1 Show InChI InChI=1S/C21H23N3O3/c25-20-18(11-15-7-3-1-4-8-15)22-21(26)23-19-12-17(13-24(19)20)27-14-16-9-5-2-6-10-16/h1-10,17-19H,11-14H2,(H2,22,23,26)/t17-,18+,19+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS UMR 7175
Curated by ChEMBL
| Assay Description
Inhibition of Toxoplasma gondii purine nucleoside phosphorylase |
J Med Chem 49: 6768-78 (2006)
Article DOI: 10.1021/jm0606589
BindingDB Entry DOI: 10.7270/Q2WH2PND |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM10512
(CHEMBL194823 | N-{3-[(6-chloro-1,2,3,4-tetrahydroa...)Show SMILES Clc1ccc2c(NCCCNC(=O)CCCCC3CCSS3)c3CCCCc3nc2c1 Show InChI InChI=1S/C24H32ClN3OS2/c25-17-10-11-20-22(16-17)28-21-8-3-2-7-19(21)24(20)27-14-5-13-26-23(29)9-4-1-6-18-12-15-30-31-18/h10-11,16,18H,1-9,12-15H2,(H,26,29)(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.253 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE by Ellman's method |
J Med Chem 52: 7883-6 (2009)
Article DOI: 10.1021/jm901123n
BindingDB Entry DOI: 10.7270/Q2571C2D |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50215791
(2-((2-acetamidopyridin-4-yl)methylamino)-N-(2,2-di...)Show SMILES CC(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1 Show InChI InChI=1S/C22H18F2N4O4/c1-13(29)27-20-10-14(8-9-25-20)12-26-17-5-3-2-4-16(17)21(30)28-15-6-7-18-19(11-15)32-22(23,24)31-18/h2-11,26H,12H2,1H3,(H,28,30)(H,25,27,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cKit by FRET assay |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50231951
(2,5-bis(6-((2-methoxybenzyl)(ethyl)amino)hexylamin...)Show SMILES CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:18.18| Show InChI InChI=1S/C38H56N4O4/c1-5-41(29-31-19-11-13-21-37(31)45-3)25-17-9-7-15-23-39-33-27-36(44)34(28-35(33)43)40-24-16-8-10-18-26-42(6-2)30-32-20-12-14-22-38(32)46-4/h11-14,19-23,27-28,40,43-44H,5-10,15-18,24-26,29-30H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant AChE by Ellman's method |
J Med Chem 52: 7883-6 (2009)
Article DOI: 10.1021/jm901123n
BindingDB Entry DOI: 10.7270/Q2571C2D |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50215766
(4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carba...)Show SMILES NC(=O)c1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1 Show InChI InChI=1S/C21H16F2N4O4/c22-21(23)30-17-6-5-13(10-18(17)31-21)27-20(29)14-3-1-2-4-15(14)26-11-12-7-8-25-16(9-12)19(24)28/h1-10,26H,11H2,(H2,24,28)(H,27,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cKit by FRET assay |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM50546091
(CHEMBL4784740)Show SMILES Clc1ccc2ncc(NC(=O)Nc3cnc(c(Cl)c3)-n3nccn3)c(C3CC3)c2c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MALT1 (unknown origin) by Glosensor reporter gene assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.05.040
BindingDB Entry DOI: 10.7270/Q25B063F |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50221914
(2,5-bis{3-[ethyl(2-methoxybenzyl)amino]propylamino...)Show SMILES CCN(CCCNc1cc(O)c(cc1O)N=CCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:15.15| Show InChI InChI=1S/C32H44N4O4/c1-5-35(23-25-13-7-9-15-31(25)39-3)19-11-17-33-27-21-30(38)28(22-29(27)37)34-18-12-20-36(6-2)24-26-14-8-10-16-32(26)40-4/h7-10,13-17,21-22,34,37-38H,5-6,11-12,18-20,23-24H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant acetylcholinesterase |
J Med Chem 50: 4882-97 (2007)
Article DOI: 10.1021/jm070559a
BindingDB Entry DOI: 10.7270/Q218379R |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50221909
(2,5-bis{5-[ethyl(2-methoxybenzyl)amino]pentylamino...)Show SMILES CCN(CCCCCNc1cc(O)c(cc1O)N=CCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:17.17| Show InChI InChI=1S/C36H52N4O4/c1-5-39(27-29-17-9-11-19-35(29)43-3)23-15-7-13-21-37-31-25-34(42)32(26-33(31)41)38-22-14-8-16-24-40(6-2)28-30-18-10-12-20-36(30)44-4/h9-12,17-21,25-26,38,41-42H,5-8,13-16,22-24,27-28H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant acetylcholinesterase |
J Med Chem 50: 4882-97 (2007)
Article DOI: 10.1021/jm070559a
BindingDB Entry DOI: 10.7270/Q218379R |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50221918
(2,5-bis{6-[ethyl(2-methoxybenzyl)amino]hexylamino}...)Show SMILES CCN(CCCCCCNc1c(O)c(Br)c(N=CCCCCCN(CC)Cc2ccccc2OC)c(O)c1Br)Cc1ccccc1OC |w:16.15| Show InChI InChI=1S/C38H54Br2N4O4/c1-5-43(27-29-19-11-13-21-31(29)47-3)25-17-9-7-15-23-41-35-33(39)38(46)36(34(40)37(35)45)42-24-16-8-10-18-26-44(6-2)28-30-20-12-14-22-32(30)48-4/h11-14,19-23,42,45-46H,5-10,15-18,24-28H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant acetylcholinesterase |
J Med Chem 50: 4882-97 (2007)
Article DOI: 10.1021/jm070559a
BindingDB Entry DOI: 10.7270/Q218379R |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50215788
(CHEMBL399534 | N-(2,2-difluorobenzo[d][1,3]dioxol-...)Show SMILES CNc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1 Show InChI InChI=1S/C21H18F2N4O3/c1-24-19-10-13(8-9-25-19)12-26-16-5-3-2-4-15(16)20(28)27-14-6-7-17-18(11-14)30-21(22,23)29-17/h2-11,26H,12H2,1H3,(H,24,25)(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cKit by FRET assay |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50215793
(4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carba...)Show SMILES CNC(=O)c1cc(CNc2ccsc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1 Show InChI InChI=1S/C20H16F2N4O4S/c1-23-18(27)14-8-11(4-6-24-14)10-25-13-5-7-31-17(13)19(28)26-12-2-3-15-16(9-12)30-20(21,22)29-15/h2-9,25H,10H2,1H3,(H,23,27)(H,26,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cKit by FRET assay |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50215774
(CHEMBL246424 | N-(2,2-difluorobenzo[d][1,3]dioxol-...)Show SMILES CNc1nccc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)n1 Show InChI InChI=1S/C20H17F2N5O3/c1-23-19-24-9-8-13(27-19)11-25-15-5-3-2-4-14(15)18(28)26-12-6-7-16-17(10-12)30-20(21,22)29-16/h2-10,25H,11H2,1H3,(H,26,28)(H,23,24,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cKit by FRET assay |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50215761
(1-(5-((5-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)ca...)Show SMILES CNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)cn1 Show InChI InChI=1S/C19H16F2N6O4S/c1-22-18(29)27-14-5-2-10(7-23-14)8-24-16-15(32-9-25-16)17(28)26-11-3-4-12-13(6-11)31-19(20,21)30-12/h2-7,9,24H,8H2,1H3,(H,26,28)(H2,22,23,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50221908
(2,5-bis{6-[ethyl(2-methoxybenzyl)amino]hexylamino}...)Show SMILES CCN(CCCCCCNc1c(O)c(Cl)c(N=CCCCCCN(CC)Cc2ccccc2OC)c(O)c1Cl)Cc1ccccc1OC |w:16.15| Show InChI InChI=1S/C38H54Cl2N4O4/c1-5-43(27-29-19-11-13-21-31(29)47-3)25-17-9-7-15-23-41-35-33(39)38(46)36(34(40)37(35)45)42-24-16-8-10-18-26-44(6-2)28-30-20-12-14-22-32(30)48-4/h11-14,19-23,42,45-46H,5-10,15-18,24-28H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant acetylcholinesterase |
J Med Chem 50: 4882-97 (2007)
Article DOI: 10.1021/jm070559a
BindingDB Entry DOI: 10.7270/Q218379R |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50215770
(1-(5-((5-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)ca...)Show SMILES CCNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)cn1 Show InChI InChI=1S/C20H18F2N6O4S/c1-2-23-19(30)28-15-6-3-11(8-24-15)9-25-17-16(33-10-26-17)18(29)27-12-4-5-13-14(7-12)32-20(21,22)31-13/h3-8,10,25H,2,9H2,1H3,(H,27,29)(H2,23,24,28,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cKit by FRET assay |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50215758
(2-((2-aminopyridin-4-yl)methylamino)-N-(2,2-difluo...)Show SMILES Nc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1 Show InChI InChI=1S/C20H16F2N4O3/c21-20(22)28-16-6-5-13(10-17(16)29-20)26-19(27)14-3-1-2-4-15(14)25-11-12-7-8-24-18(23)9-12/h1-10,25H,11H2,(H2,23,24)(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cKit by FRET assay |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50215758
(2-((2-aminopyridin-4-yl)methylamino)-N-(2,2-difluo...)Show SMILES Nc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1 Show InChI InChI=1S/C20H16F2N4O3/c21-20(22)28-16-6-5-13(10-17(16)29-20)26-19(27)14-3-1-2-4-15(14)25-11-12-7-8-24-18(23)9-12/h1-10,25H,11H2,(H2,23,24)(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cKit by FRET assay |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50215759
(CHEMBL247423 | N-(2,2-difluorobenzo[d][1,3]dioxol-...)Show SMILES OCCOCCNc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1 Show InChI InChI=1S/C24H24F2N4O5/c25-24(26)34-20-6-5-17(14-21(20)35-24)30-23(32)18-3-1-2-4-19(18)29-15-16-7-8-27-22(13-16)28-9-11-33-12-10-31/h1-8,13-14,29,31H,9-12,15H2,(H,27,28)(H,30,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cKit by FRET assay |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50215773
(4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carba...)Show SMILES CNC(=O)c1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1 Show InChI InChI=1S/C22H18F2N4O4/c1-25-21(30)17-10-13(8-9-26-17)12-27-16-5-3-2-4-15(16)20(29)28-14-6-7-18-19(11-14)32-22(23,24)31-18/h2-11,27H,12H2,1H3,(H,25,30)(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cKit by FRET assay |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50215775
(1-(4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)ca...)Show SMILES CNC(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1 Show InChI InChI=1S/C22H19F2N5O4/c1-25-21(31)29-19-10-13(8-9-26-19)12-27-16-5-3-2-4-15(16)20(30)28-14-6-7-17-18(11-14)33-22(23,24)32-17/h2-11,27H,12H2,1H3,(H,28,30)(H2,25,26,29,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cKit by FRET assay |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50215791
(2-((2-acetamidopyridin-4-yl)methylamino)-N-(2,2-di...)Show SMILES CC(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1 Show InChI InChI=1S/C22H18F2N4O4/c1-13(29)27-20-10-14(8-9-25-20)12-26-17-5-3-2-4-16(17)21(30)28-15-6-7-18-19(11-15)32-22(23,24)31-18/h2-11,26H,12H2,1H3,(H,28,30)(H,25,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of b-Raf |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50215761
(1-(5-((5-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)ca...)Show SMILES CNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)cn1 Show InChI InChI=1S/C19H16F2N6O4S/c1-22-18(29)27-14-5-2-10(7-23-14)8-24-16-15(32-9-25-16)17(28)26-11-3-4-12-13(6-11)31-19(20,21)30-12/h2-7,9,24H,8H2,1H3,(H,26,28)(H2,22,23,27,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cKit by FRET assay |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50221926
(2,5-bis{6-[ethyl(2-methoxybenzyl)amino]hexylamino}...)Show SMILES CCN(CCCCCCNc1c(O)c(F)c(N=CCCCCCN(CC)Cc2ccccc2OC)c(O)c1F)Cc1ccccc1OC |w:16.15| Show InChI InChI=1S/C38H54F2N4O4/c1-5-43(27-29-19-11-13-21-31(29)47-3)25-17-9-7-15-23-41-35-33(39)38(46)36(34(40)37(35)45)42-24-16-8-10-18-26-44(6-2)28-30-20-12-14-22-32(30)48-4/h11-14,19-23,42,45-46H,5-10,15-18,24-28H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant acetylcholinesterase |
J Med Chem 50: 4882-97 (2007)
Article DOI: 10.1021/jm070559a
BindingDB Entry DOI: 10.7270/Q218379R |
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM355886
((S)-1-(5-chloro-6- (2H-1,2,3-triazol-2- yl)pyridin...)Show SMILES CO[C@@H](C)c1c(NC(=O)Nc2cnc(c(Cl)c2)-n2nccn2)cnc2cc(Cl)nn12 |r| Show InChI InChI=1S/C17H15Cl2N9O2/c1-9(30-2)15-12(8-20-14-6-13(19)26-27(14)15)25-17(29)24-10-5-11(18)16(21-7-10)28-22-3-4-23-28/h3-9H,1-2H3,(H2,24,25,29)/t9-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MALT1 (unknown origin) by Glosensor reporter gene assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.05.040
BindingDB Entry DOI: 10.7270/Q25B063F |
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM50546093
(CHEMBL4741853)Show SMILES Fc1ccc2ncc(NC(=O)Nc3cnc(c(Cl)c3)-n3nccn3)c(C3CC3)c2c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MALT1 (unknown origin) by Glosensor reporter gene assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.05.040
BindingDB Entry DOI: 10.7270/Q25B063F |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50215789
(1-(4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)ca...)Show SMILES CCNC(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1 Show InChI InChI=1S/C23H21F2N5O4/c1-2-26-22(32)30-20-11-14(9-10-27-20)13-28-17-6-4-3-5-16(17)21(31)29-15-7-8-18-19(12-15)34-23(24,25)33-18/h3-12,28H,2,13H2,1H3,(H,29,31)(H2,26,27,30,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cKit by FRET assay |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM50546089
(CHEMBL4762086)Show SMILES Clc1cc(NC(=O)Nc2cnc3ccccc3c2C2CC2)cnc1-n1nccn1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MALT1 (unknown origin) by Glosensor reporter gene assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.05.040
BindingDB Entry DOI: 10.7270/Q25B063F |
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM50546103
(CHEMBL4779581)Show SMILES CC(O)c1c(NC(=O)Nc2cnc(c(Cl)c2)-n2nccn2)cnc2ccc(F)cc12 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MALT1 (unknown origin) by Glosensor reporter gene assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.05.040
BindingDB Entry DOI: 10.7270/Q25B063F |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50215770
(1-(5-((5-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)ca...)Show SMILES CCNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)cn1 Show InChI InChI=1S/C20H18F2N6O4S/c1-2-23-19(30)28-15-6-3-11(8-24-15)9-25-17-16(33-10-26-17)18(29)27-12-4-5-13-14(7-12)32-20(21,22)31-13/h3-8,10,25H,2,9H2,1H3,(H,27,29)(H2,23,24,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50221929
(2,5-bis{7-[ethyl(2-methoxybenzyl)amino]heptylamino...)Show SMILES CCN(CCCCCCCNc1cc(O)c(cc1O)N=CCCCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:19.19| Show InChI InChI=1S/C40H60N4O4/c1-5-43(31-33-21-13-15-23-39(33)47-3)27-19-11-7-9-17-25-41-35-29-38(46)36(30-37(35)45)42-26-18-10-8-12-20-28-44(6-2)32-34-22-14-16-24-40(34)48-4/h13-16,21-25,29-30,42,45-46H,5-12,17-20,26-28,31-32H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant acetylcholinesterase |
J Med Chem 50: 4882-97 (2007)
Article DOI: 10.1021/jm070559a
BindingDB Entry DOI: 10.7270/Q218379R |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50215782
(CHEMBL398052 | N-(2,2-difluorobenzo[d][1,3]dioxol-...)Show SMILES OCCNc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1 Show InChI InChI=1S/C22H20F2N4O4/c23-22(24)31-18-6-5-15(12-19(18)32-22)28-21(30)16-3-1-2-4-17(16)27-13-14-7-8-25-20(11-14)26-9-10-29/h1-8,11-12,27,29H,9-10,13H2,(H,25,26)(H,28,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cKit by FRET assay |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50215798
(CHEMBL395700 | N-(2,2-difluorobenzo[d][1,3]dioxol-...)Show SMILES OCCCNc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1 Show InChI InChI=1S/C23H22F2N4O4/c24-23(25)32-19-7-6-16(13-20(19)33-23)29-22(31)17-4-1-2-5-18(17)28-14-15-8-10-27-21(12-15)26-9-3-11-30/h1-2,4-8,10,12-13,28,30H,3,9,11,14H2,(H,26,27)(H,29,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cKit by FRET assay |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50221922
(2,5-bis{6-[ethyl(2-methoxybenzyl)amino]hexylamino}...)Show SMILES CCN(CCCCCCNc1c(C)c(O)c(N=CCCCCCN(CC)Cc2ccccc2OC)c(C)c1O)Cc1ccccc1OC |w:16.15| Show InChI InChI=1S/C40H60N4O4/c1-7-43(29-33-21-13-15-23-35(33)47-5)27-19-11-9-17-25-41-37-31(3)40(46)38(32(4)39(37)45)42-26-18-10-12-20-28-44(8-2)30-34-22-14-16-24-36(34)48-6/h13-16,21-25,42,45-46H,7-12,17-20,26-30H2,1-6H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant acetylcholinesterase |
J Med Chem 50: 4882-97 (2007)
Article DOI: 10.1021/jm070559a
BindingDB Entry DOI: 10.7270/Q218379R |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM10512
(CHEMBL194823 | N-{3-[(6-chloro-1,2,3,4-tetrahydroa...)Show SMILES Clc1ccc2c(NCCCNC(=O)CCCCC3CCSS3)c3CCCCc3nc2c1 Show InChI InChI=1S/C24H32ClN3OS2/c25-17-10-11-20-22(16-17)28-21-8-3-2-7-19(21)24(20)27-14-5-13-26-23(29)9-4-1-6-18-12-15-30-31-18/h10-11,16,18H,1-9,12-15H2,(H,26,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BChE by Ellman's method |
J Med Chem 52: 7883-6 (2009)
Article DOI: 10.1021/jm901123n
BindingDB Entry DOI: 10.7270/Q2571C2D |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50215777
(4-((4-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carba...)Show SMILES CNC(=O)c1cc(CNc2c(cnn2C)C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1 Show InChI InChI=1S/C20H18F2N6O4/c1-23-19(30)14-7-11(5-6-24-14)9-25-17-13(10-26-28(17)2)18(29)27-12-3-4-15-16(8-12)32-20(21,22)31-15/h3-8,10,25H,9H2,1-2H3,(H,23,30)(H,27,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cKit by FRET assay |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50215787
(4-((5-((2,2,3,3-tetrafluoro-2,3-dihydrobenzo[b][1,...)Show SMILES CNC(=O)c1cc(CNc2ncsc2C(=O)Nc2ccc3OC(F)(F)C(F)(F)Oc3c2)ccn1 Show InChI InChI=1S/C20H15F4N5O4S/c1-25-17(30)12-6-10(4-5-26-12)8-27-16-15(34-9-28-16)18(31)29-11-2-3-13-14(7-11)33-20(23,24)19(21,22)32-13/h2-7,9,27H,8H2,1H3,(H,25,30)(H,29,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cKit by FRET assay |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50215776
(CHEMBL247591 | N-(2,2-difluorobenzo[d][1,3]dioxol-...)Show SMILES COCCCNc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1 Show InChI InChI=1S/C24H24F2N4O4/c1-32-12-4-10-27-22-13-16(9-11-28-22)15-29-19-6-3-2-5-18(19)23(31)30-17-7-8-20-21(14-17)34-24(25,26)33-20/h2-3,5-9,11,13-14,29H,4,10,12,15H2,1H3,(H,27,28)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cKit by FRET assay |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50215768
(1-methyl-3-(5-((1-methyl-4-((2,2,3,3-tetrafluoro-2...)Show SMILES CNC(=O)Nc1ccc(CNc2c(cnn2C)C(=O)Nc2ccc3OC(F)(F)C(F)(F)Oc3c2)cn1 Show InChI InChI=1S/C21H19F4N7O4/c1-26-19(34)31-16-6-3-11(8-27-16)9-28-17-13(10-29-32(17)2)18(33)30-12-4-5-14-15(7-12)36-21(24,25)20(22,23)35-14/h3-8,10,28H,9H2,1-2H3,(H,30,33)(H2,26,27,31,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cKit by FRET assay |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM50546095
(CHEMBL4740000)Show SMILES COc1ccc2ncc(NC(=O)Nc3cnc(c(Cl)c3)-n3nccn3)c(C3CC3)c2c1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MALT1 (unknown origin) by Glosensor reporter gene assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.05.040
BindingDB Entry DOI: 10.7270/Q25B063F |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50215772
(CHEMBL248860 | N-(2,2-difluorobenzo[d][1,3]dioxol-...)Show SMILES COCCNc1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1 Show InChI InChI=1S/C23H22F2N4O4/c1-31-11-10-27-21-12-15(8-9-26-21)14-28-18-5-3-2-4-17(18)22(30)29-16-6-7-19-20(13-16)33-23(24,25)32-19/h2-9,12-13,28H,10-11,14H2,1H3,(H,26,27)(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cKit by FRET assay |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50221905
(2,5-bis{6-[isopropyl(2-methoxybenzyl)amino]hexylam...)Show SMILES COc1ccccc1CN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(Cc1ccccc1OC)C(C)C)C(C)C |w:25.26| Show InChI InChI=1S/C40H60N4O4/c1-31(2)43(29-33-19-11-13-21-39(33)47-5)25-17-9-7-15-23-41-35-27-38(46)36(28-37(35)45)42-24-16-8-10-18-26-44(32(3)4)30-34-20-12-14-22-40(34)48-6/h11-14,19-23,27-28,31-32,42,45-46H,7-10,15-18,24-26,29-30H2,1-6H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant acetylcholinesterase |
J Med Chem 50: 4882-97 (2007)
Article DOI: 10.1021/jm070559a
BindingDB Entry DOI: 10.7270/Q218379R |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50221910
(2,5-bis{6-[ethyl(3-methoxybenzyl)amino]hexylamino}...)Show SMILES CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1cccc(OC)c1)Cc1cccc(OC)c1 |w:18.18| Show InChI InChI=1S/C38H56N4O4/c1-5-41(29-31-17-15-19-33(25-31)45-3)23-13-9-7-11-21-39-35-27-38(44)36(28-37(35)43)40-22-12-8-10-14-24-42(6-2)30-32-18-16-20-34(26-32)46-4/h15-21,25-28,40,43-44H,5-14,22-24,29-30H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant acetylcholinesterase |
J Med Chem 50: 4882-97 (2007)
Article DOI: 10.1021/jm070559a
BindingDB Entry DOI: 10.7270/Q218379R |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50221921
(2,5-bis{4-[ethyl(2-methoxybenzyl)amino]butylamino}...)Show SMILES CCN(CCCCNc1cc(O)c(cc1O)N=CCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:16.16| Show InChI InChI=1S/C34H48N4O4/c1-5-37(25-27-15-7-9-17-33(27)41-3)21-13-11-19-35-29-23-32(40)30(24-31(29)39)36-20-12-14-22-38(6-2)26-28-16-8-10-18-34(28)42-4/h7-10,15-19,23-24,36,39-40H,5-6,11-14,20-22,25-26H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant acetylcholinesterase |
J Med Chem 50: 4882-97 (2007)
Article DOI: 10.1021/jm070559a
BindingDB Entry DOI: 10.7270/Q218379R |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50215763
(1-methyl-3-(5-((1-methyl-4-((4-(trifluoromethylthi...)Show SMILES CNC(=O)Nc1ccc(CNc2c(cnn2C)C(=O)Nc2ccc(SC(F)(F)F)cc2)cn1 Show InChI InChI=1S/C20H20F3N7O2S/c1-24-19(32)29-16-8-3-12(9-25-16)10-26-17-15(11-27-30(17)2)18(31)28-13-4-6-14(7-5-13)33-20(21,22)23/h3-9,11,26H,10H2,1-2H3,(H,28,31)(H2,24,25,29,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of pAkt |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50215771
(4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carba...)Show SMILES FC1(F)Oc2ccc(NC(=O)c3ccccc3NCc3ccnc(c3)C(=O)NC3CC3)cc2O1 Show InChI InChI=1S/C24H20F2N4O4/c25-24(26)33-20-8-7-16(12-21(20)34-24)30-22(31)17-3-1-2-4-18(17)28-13-14-9-10-27-19(11-14)23(32)29-15-5-6-15/h1-4,7-12,15,28H,5-6,13H2,(H,29,32)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cKit by FRET assay |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50215795
(4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carba...)Show SMILES CS(=O)(=O)CCNC(=O)c1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1 Show InChI InChI=1S/C24H22F2N4O6S/c1-37(33,34)11-10-28-23(32)19-12-15(8-9-27-19)14-29-18-5-3-2-4-17(18)22(31)30-16-6-7-20-21(13-16)36-24(25,26)35-20/h2-9,12-13,29H,10-11,14H2,1H3,(H,28,32)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cKit by FRET assay |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50221932
(2,5-bis(6-{ethyl[2-(2-methoxyphenyl)ethyl]amino}he...)Show SMILES CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)CCc1ccccc1OC)CCc1ccccc1OC |w:18.18| Show InChI InChI=1S/C40H60N4O4/c1-5-43(29-23-33-19-11-13-21-39(33)47-3)27-17-9-7-15-25-41-35-31-38(46)36(32-37(35)45)42-26-16-8-10-18-28-44(6-2)30-24-34-20-12-14-22-40(34)48-4/h11-14,19-22,25,31-32,42,45-46H,5-10,15-18,23-24,26-30H2,1-4H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant acetylcholinesterase |
J Med Chem 50: 4882-97 (2007)
Article DOI: 10.1021/jm070559a
BindingDB Entry DOI: 10.7270/Q218379R |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50215763
(1-methyl-3-(5-((1-methyl-4-((4-(trifluoromethylthi...)Show SMILES CNC(=O)Nc1ccc(CNc2c(cnn2C)C(=O)Nc2ccc(SC(F)(F)F)cc2)cn1 Show InChI InChI=1S/C20H20F3N7O2S/c1-24-19(32)29-16-8-3-12(9-25-16)10-26-17-15(11-27-30(17)2)18(31)28-13-4-6-14(7-5-13)33-20(21,22)23/h3-9,11,26H,10H2,1-2H3,(H,28,31)(H2,24,25,29,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cKit by FRET assay |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
Mucosa-associated lymphoid tissue lymphoma translocation protein 1
(Homo sapiens (Human)) | BDBM50546100
(CHEMBL4791759)Show SMILES COC(C)c1c(NC(=O)Nc2cnc(c(Cl)c2)-n2nccn2)cnc2ccc(F)cc12 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of MALT1 (unknown origin) by Glosensor reporter gene assay |
Citation and Details
Article DOI: 10.1016/j.bmcl.2019.05.040
BindingDB Entry DOI: 10.7270/Q25B063F |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50215784
(4-((2-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)carba...)Show SMILES OCCNC(=O)c1cc(CNc2ccccc2C(=O)Nc2ccc3OC(F)(F)Oc3c2)ccn1 Show InChI InChI=1S/C23H20F2N4O5/c24-23(25)33-19-6-5-15(12-20(19)34-23)29-21(31)16-3-1-2-4-17(16)28-13-14-7-8-26-18(11-14)22(32)27-9-10-30/h1-8,11-12,28,30H,9-10,13H2,(H,27,32)(H,29,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cKit by FRET assay |
Bioorg Med Chem Lett 17: 4378-81 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.075
BindingDB Entry DOI: 10.7270/Q28K78S7 |
More data for this
Ligand-Target Pair | |
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