Found 50 hits of Enzyme Inhibition Constant Data 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 |
|---|
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50437055
(CHEMBL2403370)Show SMILES COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C22H24N4O4/c1-29-16-2-3-20-17(12-16)18(21(27)24-20)11-15-10-14-13-26(5-4-19(14)23-15)22(28)25-6-8-30-9-7-25/h2-3,10-12,23H,4-9,13H2,1H3,(H,24,27)/b18-11- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human LRRK2 (1885 to 2132) using 5-Fluo-Ahx-RLGRDKYKTLRQIRQGNTK-OH as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50437051
(CHEMBL2403375)Show SMILES CC(C)Oc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(C)=O)c2c1 Show InChI InChI=1S/C21H23N3O3/c1-12(2)27-16-4-5-20-17(10-16)18(21(26)23-20)9-15-8-14-11-24(13(3)25)7-6-19(14)22-15/h4-5,8-10,12,22H,6-7,11H2,1-3H3,(H,23,26)/b18-9- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human LRRK2 (1885 to 2132) using 5-Fluo-Ahx-RLGRDKYKTLRQIRQGNTK-OH as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50437059
(CHEMBL2403366)Show SMILES COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)CCN)c2c1 Show InChI InChI=1S/C20H22N4O3/c1-27-14-2-3-18-15(10-14)16(20(26)23-18)9-13-8-12-11-24(19(25)4-6-21)7-5-17(12)22-13/h2-3,8-10,22H,4-7,11,21H2,1H3,(H,23,26)/b16-9- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of RET (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50437052
(CHEMBL2403374)Show SMILES CC(=O)Nc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C23H25N5O4/c1-14(29)24-16-2-3-21-18(11-16)19(22(30)26-21)12-17-10-15-13-28(5-4-20(15)25-17)23(31)27-6-8-32-9-7-27/h2-3,10-12,25H,4-9,13H2,1H3,(H,24,29)(H,26,30)/b19-12- | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human LRRK2 (1885 to 2132) using 5-Fluo-Ahx-RLGRDKYKTLRQIRQGNTK-OH as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50437061
(CHEMBL2403377)Show SMILES CC(=O)N1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(cc34)C#N)cc2C1 Show InChI InChI=1S/C19H16N4O2/c1-11(24)23-5-4-17-13(10-23)7-14(21-17)8-16-15-6-12(9-20)2-3-18(15)22-19(16)25/h2-3,6-8,21H,4-5,10H2,1H3,(H,22,25)/b16-8- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of RET (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50437053
(CHEMBL2403373)Show SMILES CN1CCC(CC1)Nc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C27H34N6O3/c1-31-7-4-19(5-8-31)28-20-2-3-25-22(15-20)23(26(34)30-25)16-21-14-18-17-33(9-6-24(18)29-21)27(35)32-10-12-36-13-11-32/h2-3,14-16,19,28-29H,4-13,17H2,1H3,(H,30,34)/b23-16- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of RET (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50437056
(CHEMBL2403369)Show SMILES COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C23H27N5O3/c1-26-7-9-27(10-8-26)23(30)28-6-5-20-15(14-28)11-16(24-20)12-19-18-13-17(31-2)3-4-21(18)25-22(19)29/h3-4,11-13,24H,5-10,14H2,1-2H3,(H,25,29)/b19-12- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of RET (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50437057
(CHEMBL2403368)Show SMILES COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)c3cnoc3C)c2c1 Show InChI InChI=1S/C22H20N4O4/c1-12-18(10-23-30-12)22(28)26-6-5-19-13(11-26)7-14(24-19)8-17-16-9-15(29-2)3-4-20(16)25-21(17)27/h3-4,7-10,24H,5-6,11H2,1-2H3,(H,25,27)/b17-8- | PDB
KEGG
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B.MOAD
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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human LRRK2 (1885 to 2132) using 5-Fluo-Ahx-RLGRDKYKTLRQIRQGNTK-OH as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50437061
(CHEMBL2403377)Show SMILES CC(=O)N1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(cc34)C#N)cc2C1 Show InChI InChI=1S/C19H16N4O2/c1-11(24)23-5-4-17-13(10-23)7-14(21-17)8-16-15-6-12(9-20)2-3-18(15)22-19(16)25/h2-3,6-8,21H,4-5,10H2,1H3,(H,22,25)/b16-8- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human LRRK2 (1885 to 2132) using 5-Fluo-Ahx-RLGRDKYKTLRQIRQGNTK-OH as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50437063
(CHEMBL2403371)Show SMILES COc1ccc2NC(=O)\C(=C/c3[nH]c4CCN(Cc4c3Cl)C(C)=O)c2c1 Show InChI InChI=1S/C19H18ClN3O3/c1-10(24)23-6-5-16-14(9-23)18(20)17(21-16)8-13-12-7-11(26-2)3-4-15(12)22-19(13)25/h3-4,7-8,21H,5-6,9H2,1-2H3,(H,22,25)/b13-8- | PDB
KEGG
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human LRRK2 (1885 to 2132) using 5-Fluo-Ahx-RLGRDKYKTLRQIRQGNTK-OH as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50437056
(CHEMBL2403369)Show SMILES COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C23H27N5O3/c1-26-7-9-27(10-8-26)23(30)28-6-5-20-15(14-28)11-16(24-20)12-19-18-13-17(31-2)3-4-21(18)25-22(19)29/h3-4,11-13,24H,5-10,14H2,1-2H3,(H,25,29)/b19-12- | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human LRRK2 (1885 to 2132) using 5-Fluo-Ahx-RLGRDKYKTLRQIRQGNTK-OH as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50437059
(CHEMBL2403366)Show SMILES COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)CCN)c2c1 Show InChI InChI=1S/C20H22N4O3/c1-27-14-2-3-18-15(10-14)16(20(26)23-18)9-13-8-12-11-24(19(25)4-6-21)7-5-17(12)22-13/h2-3,8-10,22H,4-7,11,21H2,1H3,(H,23,26)/b16-9- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human LRRK2 (1885 to 2132) using 5-Fluo-Ahx-RLGRDKYKTLRQIRQGNTK-OH as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50437053
(CHEMBL2403373)Show SMILES CN1CCC(CC1)Nc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C27H34N6O3/c1-31-7-4-19(5-8-31)28-20-2-3-25-22(15-20)23(26(34)30-25)16-21-14-18-17-33(9-6-24(18)29-21)27(35)32-10-12-36-13-11-32/h2-3,14-16,19,28-29H,4-13,17H2,1H3,(H,30,34)/b23-16- | PDB
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| 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 |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRa (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50437058
(CHEMBL2403367)Show SMILES COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(C)=O)c2c1 Show InChI InChI=1S/C19H19N3O3/c1-11(23)22-6-5-17-12(10-22)7-13(20-17)8-16-15-9-14(25-2)3-4-18(15)21-19(16)24/h3-4,7-9,20H,5-6,10H2,1-2H3,(H,21,24)/b16-8- | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human LRRK2 (1885 to 2132) using 5-Fluo-Ahx-RLGRDKYKTLRQIRQGNTK-OH as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50437055
(CHEMBL2403370)Show SMILES COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C22H24N4O4/c1-29-16-2-3-20-17(12-16)18(21(27)24-20)11-15-10-14-13-26(5-4-19(14)23-15)22(28)25-6-8-30-9-7-25/h2-3,10-12,23H,4-9,13H2,1H3,(H,24,27)/b18-11- | PDB
MMDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of RET (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50437052
(CHEMBL2403374)Show SMILES CC(=O)Nc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C23H25N5O4/c1-14(29)24-16-2-3-21-18(11-16)19(22(30)26-21)12-17-10-15-13-28(5-4-20(15)25-17)23(31)27-6-8-32-9-7-27/h2-3,10-12,25H,4-9,13H2,1H3,(H,24,29)(H,26,30)/b19-12- | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of RET (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
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CHEMBL
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MCE
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PC cid
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PDB
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Patents
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human LRRK2 (1885 to 2132) using 5-Fluo-Ahx-RLGRDKYKTLRQIRQGNTK-OH as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50437062
(CHEMBL2403376)Show SMILES CC(=O)N1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(cc34)C(F)(F)F)cc2C1 Show InChI InChI=1S/C19H16F3N3O2/c1-10(26)25-5-4-16-11(9-25)6-13(23-16)8-15-14-7-12(19(20,21)22)2-3-17(14)24-18(15)27/h2-3,6-8,23H,4-5,9H2,1H3,(H,24,27)/b15-8- | PDB
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| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human LRRK2 (1885 to 2132) using 5-Fluo-Ahx-RLGRDKYKTLRQIRQGNTK-OH as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50437060
(CHEMBL2403378)Show SMILES CC(=O)N1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(cc34)[N+]([O-])=O)cc2C1 Show InChI InChI=1S/C18H16N4O4/c1-10(23)21-5-4-16-11(9-21)6-12(19-16)7-15-14-8-13(22(25)26)2-3-17(14)20-18(15)24/h2-3,6-8,19H,4-5,9H2,1H3,(H,20,24)/b15-7- | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRa (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50437063
(CHEMBL2403371)Show SMILES COc1ccc2NC(=O)\C(=C/c3[nH]c4CCN(Cc4c3Cl)C(C)=O)c2c1 Show InChI InChI=1S/C19H18ClN3O3/c1-10(24)23-6-5-16-14(9-23)18(20)17(21-16)8-13-12-7-11(26-2)3-4-15(12)22-19(13)25/h3-4,7-8,21H,5-6,9H2,1-2H3,(H,22,25)/b13-8- | PDB
MMDB
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B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of RET (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50437065
(CHEMBL2403365)Show SMILES COc1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)NCCCN)c3C)c2c1 Show InChI InChI=1S/C20H24N4O3/c1-11-17(23-12(2)18(11)20(26)22-8-4-7-21)10-15-14-9-13(27-3)5-6-16(14)24-19(15)25/h5-6,9-10,23H,4,7-8,21H2,1-3H3,(H,22,26)(H,24,25)/b15-10- | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human LRRK2 (1885 to 2132) using 5-Fluo-Ahx-RLGRDKYKTLRQIRQGNTK-OH as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50437054
(CHEMBL2403372)Show SMILES FC(F)(F)c1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C22H21F3N4O3/c23-22(24,25)14-1-2-19-16(10-14)17(20(30)27-19)11-15-9-13-12-29(4-3-18(13)26-15)21(31)28-5-7-32-8-6-28/h1-2,9-11,26H,3-8,12H2,(H,27,30)/b17-11- | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRa (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50437058
(CHEMBL2403367)Show SMILES COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(C)=O)c2c1 Show InChI InChI=1S/C19H19N3O3/c1-11(23)22-6-5-17-12(10-22)7-13(20-17)8-16-15-9-14(25-2)3-4-18(15)21-19(16)24/h3-4,7-9,20H,5-6,10H2,1-2H3,(H,21,24)/b16-8- | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of RET (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50437062
(CHEMBL2403376)Show SMILES CC(=O)N1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(cc34)C(F)(F)F)cc2C1 Show InChI InChI=1S/C19H16F3N3O2/c1-10(26)25-5-4-16-11(9-25)6-13(23-16)8-15-14-7-12(19(20,21)22)2-3-17(14)24-18(15)27/h2-3,6-8,23H,4-5,9H2,1H3,(H,24,27)/b15-8- | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRa (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50437056
(CHEMBL2403369)Show SMILES COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C23H27N5O3/c1-26-7-9-27(10-8-26)23(30)28-6-5-20-15(14-28)11-16(24-20)12-19-18-13-17(31-2)3-4-21(18)25-22(19)29/h3-4,11-13,24H,5-10,14H2,1-2H3,(H,25,29)/b19-12- | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRa (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50437060
(CHEMBL2403378)Show SMILES CC(=O)N1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(cc34)[N+]([O-])=O)cc2C1 Show InChI InChI=1S/C18H16N4O4/c1-10(23)21-5-4-16-11(9-21)6-12(19-16)7-15-14-8-13(22(25)26)2-3-17(14)20-18(15)24/h2-3,6-8,19H,4-5,9H2,1H3,(H,20,24)/b15-7- | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of RET (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50437057
(CHEMBL2403368)Show SMILES COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)c3cnoc3C)c2c1 Show InChI InChI=1S/C22H20N4O4/c1-12-18(10-23-30-12)22(28)26-6-5-19-13(11-26)7-14(24-19)8-17-16-9-15(29-2)3-4-20(16)25-21(17)27/h3-4,7-10,24H,5-6,11H2,1-2H3,(H,25,27)/b17-8- | PDB
MMDB
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UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of RET (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50437053
(CHEMBL2403373)Show SMILES CN1CCC(CC1)Nc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C27H34N6O3/c1-31-7-4-19(5-8-31)28-20-2-3-25-22(15-20)23(26(34)30-25)16-21-14-18-17-33(9-6-24(18)29-21)27(35)32-10-12-36-13-11-32/h2-3,14-16,19,28-29H,4-13,17H2,1H3,(H,30,34)/b23-16- | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50437052
(CHEMBL2403374)Show SMILES CC(=O)Nc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C23H25N5O4/c1-14(29)24-16-2-3-21-18(11-16)19(22(30)26-21)12-17-10-15-13-28(5-4-20(15)25-17)23(31)27-6-8-32-9-7-27/h2-3,10-12,25H,4-9,13H2,1H3,(H,24,29)(H,26,30)/b19-12- | PDB
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRa (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50437059
(CHEMBL2403366)Show SMILES COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)CCN)c2c1 Show InChI InChI=1S/C20H22N4O3/c1-27-14-2-3-18-15(10-14)16(20(26)23-18)9-13-8-12-11-24(19(25)4-6-21)7-5-17(12)22-13/h2-3,8-10,22H,4-7,11,21H2,1H3,(H,23,26)/b16-9- | PDB
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRa (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50437054
(CHEMBL2403372)Show SMILES FC(F)(F)c1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C22H21F3N4O3/c23-22(24,25)14-1-2-19-16(10-14)17(20(30)27-19)11-15-9-13-12-29(4-3-18(13)26-15)21(31)28-5-7-32-8-6-28/h1-2,9-11,26H,3-8,12H2,(H,27,30)/b17-11- | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of RET (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50437064
(CHEMBL2403364)Show SMILES COc1ccc2N(C)C(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C23H26N4O4/c1-25-21-4-3-17(30-2)13-18(21)19(22(25)28)12-16-11-15-14-27(6-5-20(15)24-16)23(29)26-7-9-31-10-8-26/h3-4,11-13,24H,5-10,14H2,1-2H3/b19-12- | PDB
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human LRRK2 (1885 to 2132) using 5-Fluo-Ahx-RLGRDKYKTLRQIRQGNTK-OH as substrate after 60 mins by fluorescence assay |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50437051
(CHEMBL2403375)Show SMILES CC(C)Oc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(C)=O)c2c1 Show InChI InChI=1S/C21H23N3O3/c1-12(2)27-16-4-5-20-17(10-16)18(21(26)23-20)9-15-8-14-11-24(13(3)25)7-6-19(14)22-15/h4-5,8-10,12,22H,6-7,11H2,1-3H3,(H,23,26)/b18-9- | PDB
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of RET (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50437055
(CHEMBL2403370)Show SMILES COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C22H24N4O4/c1-29-16-2-3-20-17(12-16)18(21(27)24-20)11-15-10-14-13-26(5-4-19(14)23-15)22(28)25-6-8-30-9-7-25/h2-3,10-12,23H,4-9,13H2,1H3,(H,24,27)/b18-11- | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRa (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50437052
(CHEMBL2403374)Show SMILES CC(=O)Nc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C23H25N5O4/c1-14(29)24-16-2-3-21-18(11-16)19(22(30)26-21)12-17-10-15-13-28(5-4-20(15)25-17)23(31)27-6-8-32-9-7-27/h2-3,10-12,25H,4-9,13H2,1H3,(H,24,29)(H,26,30)/b19-12- | PDB
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50437058
(CHEMBL2403367)Show SMILES COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(C)=O)c2c1 Show InChI InChI=1S/C19H19N3O3/c1-11(23)22-6-5-17-12(10-22)7-13(20-17)8-16-15-9-14(25-2)3-4-18(15)21-19(16)24/h3-4,7-9,20H,5-6,10H2,1-2H3,(H,21,24)/b16-8- | PDB
KEGG
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRa (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50437062
(CHEMBL2403376)Show SMILES CC(=O)N1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(cc34)C(F)(F)F)cc2C1 Show InChI InChI=1S/C19H16F3N3O2/c1-10(26)25-5-4-16-11(9-25)6-13(23-16)8-15-14-7-12(19(20,21)22)2-3-17(14)24-18(15)27/h2-3,6-8,23H,4-5,9H2,1H3,(H,24,27)/b15-8- | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of RET (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50437059
(CHEMBL2403366)Show SMILES COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)CCN)c2c1 Show InChI InChI=1S/C20H22N4O3/c1-27-14-2-3-18-15(10-14)16(20(26)23-18)9-13-8-12-11-24(19(25)4-6-21)7-5-17(12)22-13/h2-3,8-10,22H,4-7,11,21H2,1H3,(H,23,26)/b16-9- | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50437057
(CHEMBL2403368)Show SMILES COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)c3cnoc3C)c2c1 Show InChI InChI=1S/C22H20N4O4/c1-12-18(10-23-30-12)22(28)26-6-5-19-13(11-26)7-14(24-19)8-17-16-9-15(29-2)3-4-20(16)25-21(17)27/h3-4,7-10,24H,5-6,11H2,1-2H3,(H,25,27)/b17-8- | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRa (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50437056
(CHEMBL2403369)Show SMILES COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C23H27N5O3/c1-26-7-9-27(10-8-26)23(30)28-6-5-20-15(14-28)11-16(24-20)12-19-18-13-17(31-2)3-4-21(18)25-22(19)29/h3-4,11-13,24H,5-10,14H2,1-2H3,(H,25,29)/b19-12- | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50437055
(CHEMBL2403370)Show SMILES COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C22H24N4O4/c1-29-16-2-3-20-17(12-16)18(21(27)24-20)11-15-10-14-13-26(5-4-19(14)23-15)22(28)25-6-8-30-9-7-25/h2-3,10-12,23H,4-9,13H2,1H3,(H,24,27)/b18-11- | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50437057
(CHEMBL2403368)Show SMILES COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)c3cnoc3C)c2c1 Show InChI InChI=1S/C22H20N4O4/c1-12-18(10-23-30-12)22(28)26-6-5-19-13(11-26)7-14(24-19)8-17-16-9-15(29-2)3-4-20(16)25-21(17)27/h3-4,7-10,24H,5-6,11H2,1-2H3,(H,25,27)/b17-8- | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50437058
(CHEMBL2403367)Show SMILES COc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(C)=O)c2c1 Show InChI InChI=1S/C19H19N3O3/c1-11(23)22-6-5-17-12(10-22)7-13(20-17)8-16-15-9-14(25-2)3-4-18(15)21-19(16)24/h3-4,7-9,20H,5-6,10H2,1-2H3,(H,21,24)/b16-8- | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50437061
(CHEMBL2403377)Show SMILES CC(=O)N1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(cc34)C#N)cc2C1 Show InChI InChI=1S/C19H16N4O2/c1-11(24)23-5-4-17-13(10-23)7-14(21-17)8-16-15-6-12(9-20)2-3-18(15)22-19(16)25/h2-3,6-8,21H,4-5,10H2,1H3,(H,22,25)/b16-8- | PDB
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PC sid
UniChem
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PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50437051
(CHEMBL2403375)Show SMILES CC(C)Oc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(C)=O)c2c1 Show InChI InChI=1S/C21H23N3O3/c1-12(2)27-16-4-5-20-17(10-16)18(21(26)23-20)9-15-8-14-11-24(13(3)25)7-6-19(14)22-15/h4-5,8-10,12,22H,6-7,11H2,1-3H3,(H,23,26)/b18-9- | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRa (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50437051
(CHEMBL2403375)Show SMILES CC(C)Oc1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(C)=O)c2c1 Show InChI InChI=1S/C21H23N3O3/c1-12(2)27-16-4-5-20-17(10-16)18(21(26)23-20)9-15-8-14-11-24(13(3)25)7-6-19(14)22-15/h4-5,8-10,12,22H,6-7,11H2,1-3H3,(H,23,26)/b18-9- | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50437062
(CHEMBL2403376)Show SMILES CC(=O)N1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(cc34)C(F)(F)F)cc2C1 Show InChI InChI=1S/C19H16F3N3O2/c1-10(26)25-5-4-16-11(9-25)6-13(23-16)8-15-14-7-12(19(20,21)22)2-3-17(14)24-18(15)27/h2-3,6-8,23H,4-5,9H2,1H3,(H,24,27)/b15-8- | PDB
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UniChem
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PubMed
| n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50437054
(CHEMBL2403372)Show SMILES FC(F)(F)c1ccc2NC(=O)\C(=C/c3cc4CN(CCc4[nH]3)C(=O)N3CCOCC3)c2c1 Show InChI InChI=1S/C22H21F3N4O3/c23-22(24,25)14-1-2-19-16(10-14)17(20(30)27-19)11-15-9-13-12-29(4-3-18(13)26-15)21(31)28-5-7-32-8-6-28/h1-2,9-11,26H,3-8,12H2,(H,27,30)/b17-11- | PDB
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50437060
(CHEMBL2403378)Show SMILES CC(=O)N1CCc2[nH]c(\C=C3/C(=O)Nc4ccc(cc34)[N+]([O-])=O)cc2C1 Show InChI InChI=1S/C18H16N4O4/c1-10(23)21-5-4-16-11(9-21)6-12(19-16)7-15-14-8-13(22(25)26)2-3-17(14)20-18(15)24/h2-3,6-8,19H,4-5,9H2,1H3,(H,20,24)/b15-7- | PDB
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50437063
(CHEMBL2403371)Show SMILES COc1ccc2NC(=O)\C(=C/c3[nH]c4CCN(Cc4c3Cl)C(C)=O)c2c1 Show InChI InChI=1S/C19H18ClN3O3/c1-10(24)23-6-5-16-14(9-23)18(20)17(21-16)8-13-12-7-11(26-2)3-4-15(12)22-19(13)25/h3-4,7-8,21H,5-6,9H2,1-2H3,(H,22,25)/b13-8- | PDB
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) |
Bioorg Med Chem Lett 23: 4085-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.054
BindingDB Entry DOI: 10.7270/Q2SB474D |
More data for this
Ligand-Target Pair | |
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