Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50039879 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 |
|---|
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385593
(CHEMBL2042694)Show SMILES CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl Show InChI InChI=1S/C22H23ClN6O3S/c1-24-33(31,32)19-8-4-3-7-17(19)27-21-16(23)13-25-22(28-21)26-15-10-11-18-14(12-15)6-5-9-20(30)29(18)2/h3-4,7-8,10-13,24H,5-6,9H2,1-2H3,(H2,25,26,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ALK |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385602
(CHEMBL2042983)Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2CCCC1=O Show InChI InChI=1S/C26H30ClN5O4S/c1-5-32-21-14-22(36-4)20(13-17(21)9-8-12-24(32)33)30-26-28-15-18(27)25(31-26)29-19-10-6-7-11-23(19)37(34,35)16(2)3/h6-7,10-11,13-16H,5,8-9,12H2,1-4H3,(H2,28,29,30,31) | PDB
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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ALK |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385591
(CHEMBL2042981)Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2CCCC1=O Show InChI InChI=1S/C25H29ClN6O4S/c1-5-32-20-14-21(36-4)19(13-16(20)9-8-12-23(32)33)29-25-27-15-17(26)24(30-25)28-18-10-6-7-11-22(18)37(34,35)31(2)3/h6-7,10-11,13-15H,5,8-9,12H2,1-4H3,(H2,27,28,29,30) | PDB
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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ALK |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385601
(CHEMBL2042982)Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)c2CCCC1=O Show InChI InChI=1S/C26H30ClN5O4S/c1-5-32-21-14-13-20(24(36-4)17(21)9-8-12-23(32)33)30-26-28-15-18(27)25(31-26)29-19-10-6-7-11-22(19)37(34,35)16(2)3/h6-7,10-11,13-16H,5,8-9,12H2,1-4H3,(H2,28,29,30,31) | PDB
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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ALK |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385598
(CHEMBL2042828)Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2CCCC1=O Show InChI InChI=1S/C25H27ClN6O3/c1-4-32-20-13-21(35-3)19(12-15(20)8-7-11-22(32)33)30-25-28-14-17(26)23(31-25)29-18-10-6-5-9-16(18)24(34)27-2/h5-6,9-10,12-14H,4,7-8,11H2,1-3H3,(H,27,34)(H2,28,29,30,31) | PDB
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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ALK |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385599
(CHEMBL2042830)Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)cc2CCCC1=O |r,c:21| Show InChI InChI=1S/C25H29ClN6O3/c1-3-32-18-11-19(35-2)17(10-13(18)5-4-6-20(32)33)29-25-28-12-16(26)24(31-25)30-22-15-8-7-14(9-15)21(22)23(27)34/h7-8,10-12,14-15,21-22H,3-6,9H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t14-,15+,21+,22-/m1/s1 | PDB
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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ALK |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385600
(CHEMBL2042831)Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)c(OC)c2CCCC1=O Show InChI InChI=1S/C25H29ClN6O4S/c1-5-32-20-14-13-19(23(36-4)16(20)9-8-12-22(32)33)29-25-27-15-17(26)24(30-25)28-18-10-6-7-11-21(18)37(34,35)31(2)3/h6-7,10-11,13-15H,5,8-9,12H2,1-4H3,(H2,27,28,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ALK |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50385593
(CHEMBL2042694)Show SMILES CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl Show InChI InChI=1S/C22H23ClN6O3S/c1-24-33(31,32)19-8-4-3-7-17(19)27-21-16(23)13-25-22(28-21)26-15-10-11-18-14(12-15)6-5-9-20(30)29(18)2/h3-4,7-8,10-13,24H,5-6,9H2,1-2H3,(H2,25,26,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of insulin receptor |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385597
(CHEMBL2042827)Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)c(OC)c2CCCC1=O Show InChI InChI=1S/C25H27ClN6O3/c1-4-32-20-13-12-19(22(35-3)16(20)9-7-11-21(32)33)30-25-28-14-17(26)23(31-25)29-18-10-6-5-8-15(18)24(34)27-2/h5-6,8,10,12-14H,4,7,9,11H2,1-3H3,(H,27,34)(H2,28,29,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ALK |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50385602
(CHEMBL2042983)Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2CCCC1=O Show InChI InChI=1S/C26H30ClN5O4S/c1-5-32-21-14-22(36-4)20(13-17(21)9-8-12-24(32)33)30-26-28-15-18(27)25(31-26)29-19-10-6-7-11-23(19)37(34,35)16(2)3/h6-7,10-11,13-16H,5,8-9,12H2,1-4H3,(H2,28,29,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of insulin receptor |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385590
(CHEMBL2042829)Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)c2CCCC1=O |r,c:19| Show InChI InChI=1S/C25H29ClN6O3/c1-3-32-18-10-9-17(22(35-2)15(18)5-4-6-19(32)33)29-25-28-12-16(26)24(31-25)30-21-14-8-7-13(11-14)20(21)23(27)34/h7-10,12-14,20-21H,3-6,11H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t13-,14+,20+,21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ALK |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50334081
(2-[5-Chloro-2-(1-methyl-2-oxo-2,3,4,5-tetrahydro-1...)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl Show InChI InChI=1S/C23H23ClN6O2/c1-25-22(32)16-7-3-4-8-18(16)28-21-17(24)13-26-23(29-21)27-15-10-11-19-14(12-15)6-5-9-20(31)30(19)2/h3-4,7-8,10-13H,5-6,9H2,1-2H3,(H,25,32)(H2,26,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ALK |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385594
(CHEMBL2042695)Show SMILES CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)cc2CCCC1=O |r,c:18| Show InChI InChI=1S/C23H25ClN6O2/c1-30-17-8-7-15(10-12(17)3-2-4-18(30)31)27-23-26-11-16(24)22(29-23)28-20-14-6-5-13(9-14)19(20)21(25)32/h5-8,10-11,13-14,19-20H,2-4,9H2,1H3,(H2,25,32)(H2,26,27,28,29)/t13-,14+,19+,20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ALK |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385593
(CHEMBL2042694)Show SMILES CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl Show InChI InChI=1S/C22H23ClN6O3S/c1-24-33(31,32)19-8-4-3-7-17(19)27-21-16(23)13-25-22(28-21)26-15-10-11-18-14(12-15)6-5-9-20(30)29(18)2/h3-4,7-8,10-13,24H,5-6,9H2,1-2H3,(H2,25,26,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50334081
(2-[5-Chloro-2-(1-methyl-2-oxo-2,3,4,5-tetrahydro-1...)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl Show InChI InChI=1S/C23H23ClN6O2/c1-25-22(32)16-7-3-4-8-18(16)28-21-17(24)13-26-23(29-21)27-15-10-11-19-14(12-15)6-5-9-20(31)30(19)2/h3-4,7-8,10-13H,5-6,9H2,1-2H3,(H,25,32)(H2,26,27,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of insulin receptor |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385602
(CHEMBL2042983)Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)cc2CCCC1=O Show InChI InChI=1S/C26H30ClN5O4S/c1-5-32-21-14-22(36-4)20(13-17(21)9-8-12-24(32)33)30-26-28-15-18(27)25(31-26)29-19-10-6-7-11-23(19)37(34,35)16(2)3/h6-7,10-11,13-16H,5,8-9,12H2,1-4H3,(H2,28,29,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50334081
(2-[5-Chloro-2-(1-methyl-2-oxo-2,3,4,5-tetrahydro-1...)Show SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3N(C)C(=O)CCCc3c2)ncc1Cl Show InChI InChI=1S/C23H23ClN6O2/c1-25-22(32)16-7-3-4-8-18(16)28-21-17(24)13-26-23(29-21)27-15-10-11-19-14(12-15)6-5-9-20(31)30(19)2/h3-4,7-8,10-13H,5-6,9H2,1-2H3,(H,25,32)(H2,26,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385591
(CHEMBL2042981)Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2CCCC1=O Show InChI InChI=1S/C25H29ClN6O4S/c1-5-32-20-14-21(36-4)19(13-16(20)9-8-12-23(32)33)29-25-27-15-17(26)24(30-25)28-18-10-6-7-11-22(18)37(34,35)31(2)3/h6-7,10-11,13-15H,5,8-9,12H2,1-4H3,(H2,27,28,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50385601
(CHEMBL2042982)Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)c2CCCC1=O Show InChI InChI=1S/C26H30ClN5O4S/c1-5-32-21-14-13-20(24(36-4)17(21)9-8-12-23(32)33)30-26-28-15-18(27)25(31-26)29-19-10-6-7-11-22(19)37(34,35)16(2)3/h6-7,10-11,13-16H,5,8-9,12H2,1-4H3,(H2,28,29,30,31) | PDB
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UniChem
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PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of insulin receptor |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50385598
(CHEMBL2042828)Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2CCCC1=O Show InChI InChI=1S/C25H27ClN6O3/c1-4-32-20-13-21(35-3)19(12-15(20)8-7-11-22(32)33)30-25-28-14-17(26)23(31-25)29-18-10-6-5-9-16(18)24(34)27-2/h5-6,9-10,12-14H,4,7-8,11H2,1-3H3,(H,27,34)(H2,28,29,30,31) | PDB
MMDB
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PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of insulin receptor |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50385591
(CHEMBL2042981)Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)cc2CCCC1=O Show InChI InChI=1S/C25H29ClN6O4S/c1-5-32-20-14-21(36-4)19(13-16(20)9-8-12-23(32)33)29-25-27-15-17(26)24(30-25)28-18-10-6-7-11-22(18)37(34,35)31(2)3/h6-7,10-11,13-15H,5,8-9,12H2,1-4H3,(H2,27,28,29,30) | PDB
MMDB
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of insulin receptor |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385599
(CHEMBL2042830)Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)cc2CCCC1=O |r,c:21| Show InChI InChI=1S/C25H29ClN6O3/c1-3-32-18-11-19(35-2)17(10-13(18)5-4-6-20(32)33)29-25-28-12-16(26)24(31-25)30-22-15-8-7-14(9-15)21(22)23(27)34/h7-8,10-12,14-15,21-22H,3-6,9H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t14-,15+,21+,22-/m1/s1 | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385598
(CHEMBL2042828)Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2CCCC1=O Show InChI InChI=1S/C25H27ClN6O3/c1-4-32-20-13-21(35-3)19(12-15(20)8-7-11-22(32)33)30-25-28-14-17(26)23(31-25)29-18-10-6-5-9-16(18)24(34)27-2/h5-6,9-10,12-14H,4,7-8,11H2,1-3H3,(H,27,34)(H2,28,29,30,31) | PDB
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PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385590
(CHEMBL2042829)Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)c2CCCC1=O |r,c:19| Show InChI InChI=1S/C25H29ClN6O3/c1-3-32-18-10-9-17(22(35-2)15(18)5-4-6-19(32)33)29-25-28-12-16(26)24(31-25)30-21-14-8-7-13(11-14)20(21)23(27)34/h7-10,12-14,20-21H,3-6,11H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t13-,14+,20+,21-/m1/s1 | PDB
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Similars
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PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385601
(CHEMBL2042982)Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)c2CCCC1=O Show InChI InChI=1S/C26H30ClN5O4S/c1-5-32-21-14-13-20(24(36-4)17(21)9-8-12-23(32)33)30-26-28-15-18(27)25(31-26)29-19-10-6-7-11-22(19)37(34,35)16(2)3/h6-7,10-11,13-16H,5,8-9,12H2,1-4H3,(H2,28,29,30,31) | PDB
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PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385600
(CHEMBL2042831)Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)c(OC)c2CCCC1=O Show InChI InChI=1S/C25H29ClN6O4S/c1-5-32-20-14-13-19(23(36-4)16(20)9-8-12-22(32)33)29-25-27-15-17(26)24(30-25)28-18-10-6-7-11-21(18)37(34,35)31(2)3/h6-7,10-11,13-15H,5,8-9,12H2,1-4H3,(H2,27,28,29,30) | PDB
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PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50385600
(CHEMBL2042831)Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)c(OC)c2CCCC1=O Show InChI InChI=1S/C25H29ClN6O4S/c1-5-32-20-14-13-19(23(36-4)16(20)9-8-12-22(32)33)29-25-27-15-17(26)24(30-25)28-18-10-6-7-11-21(18)37(34,35)31(2)3/h6-7,10-11,13-15H,5,8-9,12H2,1-4H3,(H2,27,28,29,30) | PDB
MMDB
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PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of insulin receptor |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50385599
(CHEMBL2042830)Show SMILES CCN1c2cc(OC)c(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)cc2CCCC1=O |r,c:21| Show InChI InChI=1S/C25H29ClN6O3/c1-3-32-18-11-19(35-2)17(10-13(18)5-4-6-20(32)33)29-25-28-12-16(26)24(31-25)30-22-15-8-7-14(9-15)21(22)23(27)34/h7-8,10-12,14-15,21-22H,3-6,9H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t14-,15+,21+,22-/m1/s1 | PDB
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PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of insulin receptor |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50385594
(CHEMBL2042695)Show SMILES CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)cc2CCCC1=O |r,c:18| Show InChI InChI=1S/C23H25ClN6O2/c1-30-17-8-7-15(10-12(17)3-2-4-18(30)31)27-23-26-11-16(24)22(29-23)28-20-14-6-5-13(9-14)19(20)21(25)32/h5-8,10-11,13-14,19-20H,2-4,9H2,1H3,(H2,25,32)(H2,26,27,28,29)/t13-,14+,19+,20-/m1/s1 | PDB
MMDB
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PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of insulin receptor |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385594
(CHEMBL2042695)Show SMILES CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)cc2CCCC1=O |r,c:18| Show InChI InChI=1S/C23H25ClN6O2/c1-30-17-8-7-15(10-12(17)3-2-4-18(30)31)27-23-26-11-16(24)22(29-23)28-20-14-6-5-13(9-14)19(20)21(25)32/h5-8,10-11,13-14,19-20H,2-4,9H2,1H3,(H2,25,32)(H2,26,27,28,29)/t13-,14+,19+,20-/m1/s1 | PDB
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UniChem
Similars
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PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385595
(CHEMBL2042696)Show SMILES CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@@H]4C(N)=O)n3)cc2CCCC1=O |r| Show InChI InChI=1S/C22H27ClN6O2/c1-29-18-10-9-14(11-13(18)5-4-8-19(29)30)26-22-25-12-16(23)21(28-22)27-17-7-3-2-6-15(17)20(24)31/h9-12,15,17H,2-8H2,1H3,(H2,24,31)(H2,25,26,27,28)/t15-,17+/m0/s1 | PDB
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ALK |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385597
(CHEMBL2042827)Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)c(OC)c2CCCC1=O Show InChI InChI=1S/C25H27ClN6O3/c1-4-32-20-13-12-19(22(35-3)16(20)9-7-11-21(32)33)30-25-28-14-17(26)23(31-25)29-18-10-6-5-8-15(18)24(34)27-2/h5-6,8,10,12-14H,4,7,9,11H2,1-3H3,(H,27,34)(H2,28,29,30,31) | PDB
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Similars
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PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50385597
(CHEMBL2042827)Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)c(OC)c2CCCC1=O Show InChI InChI=1S/C25H27ClN6O3/c1-4-32-20-13-12-19(22(35-3)16(20)9-7-11-21(32)33)30-25-28-14-17(26)23(31-25)29-18-10-6-5-8-15(18)24(34)27-2/h5-6,8,10,12-14H,4,7,9,11H2,1-3H3,(H,27,34)(H2,28,29,30,31) | PDB
MMDB
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UniChem
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PubMed
| n/a | n/a | 215 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of insulin receptor |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385590
(CHEMBL2042829)Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)c2CCCC1=O |r,c:19| Show InChI InChI=1S/C25H29ClN6O3/c1-3-32-18-10-9-17(22(35-2)15(18)5-4-6-19(32)33)29-25-28-12-16(26)24(31-25)30-21-14-8-7-13(11-14)20(21)23(27)34/h7-10,12-14,20-21H,3-6,11H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t13-,14+,20+,21-/m1/s1 | PDB
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Similars
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PubMed
| n/a | n/a | 225 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells in presence of mouse plasma |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50385592
(CHEMBL2042693)Show SMILES CNC(=O)c1cccc(Nc2nc(Nc3ccc4N(C)C(=O)CCCc4c3)ncc2Cl)c1 Show InChI InChI=1S/C23H23ClN6O2/c1-25-22(32)15-6-3-7-16(12-15)27-21-18(24)13-26-23(29-21)28-17-9-10-19-14(11-17)5-4-8-20(31)30(19)2/h3,6-7,9-13H,4-5,8H2,1-2H3,(H,25,32)(H2,26,27,28,29) | PDB
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PubMed
| n/a | n/a | 247 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of insulin receptor |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50385595
(CHEMBL2042696)Show SMILES CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@@H]4C(N)=O)n3)cc2CCCC1=O |r| Show InChI InChI=1S/C22H27ClN6O2/c1-29-18-10-9-14(11-13(18)5-4-8-19(29)30)26-22-25-12-16(23)21(28-22)27-17-7-3-2-6-15(17)20(24)31/h9-12,15,17H,2-8H2,1H3,(H2,24,31)(H2,25,26,27,28)/t15-,17+/m0/s1 | PDB
MMDB
KEGG
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Similars
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PubMed
| n/a | n/a | 319 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of insulin receptor |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385592
(CHEMBL2042693)Show SMILES CNC(=O)c1cccc(Nc2nc(Nc3ccc4N(C)C(=O)CCCc4c3)ncc2Cl)c1 Show InChI InChI=1S/C23H23ClN6O2/c1-25-22(32)15-6-3-7-16(12-15)27-21-18(24)13-26-23(29-21)28-17-9-10-19-14(11-17)5-4-8-20(31)30(19)2/h3,6-7,9-13H,4-5,8H2,1-2H3,(H,25,32)(H2,26,27,28,29) | PDB
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| n/a | n/a | 568 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ALK |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50385590
(CHEMBL2042829)Show SMILES CCN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4[C@@H]5C[C@@H](C=C5)[C@@H]4C(N)=O)n3)c(OC)c2CCCC1=O |r,c:19| Show InChI InChI=1S/C25H29ClN6O3/c1-3-32-18-10-9-17(22(35-2)15(18)5-4-6-19(32)33)29-25-28-12-16(26)24(31-25)30-21-14-8-7-13(11-14)20(21)23(27)34/h7-10,12-14,20-21H,3-6,11H2,1-2H3,(H2,27,34)(H2,28,29,30,31)/t13-,14+,20+,21-/m1/s1 | PDB
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PubMed
| n/a | n/a | 597 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of insulin receptor |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385595
(CHEMBL2042696)Show SMILES CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@@H]4C(N)=O)n3)cc2CCCC1=O |r| Show InChI InChI=1S/C22H27ClN6O2/c1-29-18-10-9-14(11-13(18)5-4-8-19(29)30)26-22-25-12-16(23)21(28-22)27-17-7-3-2-6-15(17)20(24)31/h9-12,15,17H,2-8H2,1H3,(H2,24,31)(H2,25,26,27,28)/t15-,17+/m0/s1 | PDB
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of NPM-ALK autophosphorylation in human KARPAS299 cells |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50385596
(CHEMBL2042697)Show SMILES CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4C(N)=O)n3)cc2CCCC1=O |r| Show InChI InChI=1S/C22H27ClN6O2/c1-29-18-10-9-14(11-13(18)5-4-8-19(29)30)26-22-25-12-16(23)21(28-22)27-17-7-3-2-6-15(17)20(24)31/h9-12,15,17H,2-8H2,1H3,(H2,24,31)(H2,25,26,27,28)/t15-,17-/m1/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 2.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of insulin receptor |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50385596
(CHEMBL2042697)Show SMILES CN1c2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4C(N)=O)n3)cc2CCCC1=O |r| Show InChI InChI=1S/C22H27ClN6O2/c1-29-18-10-9-14(11-13(18)5-4-8-19(29)30)26-22-25-12-16(23)21(28-22)27-17-7-3-2-6-15(17)20(24)31/h9-12,15,17H,2-8H2,1H3,(H2,24,31)(H2,25,26,27,28)/t15-,17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of ALK |
ACS Med Chem Lett 1: 493-498 (2010)
Article DOI: 10.1021/ml100158s
BindingDB Entry DOI: 10.7270/Q2NG4RNG |
More data for this
Ligand-Target Pair | |
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