Found 28 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 |
|---|
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321043
(1-(5-Chloro-2-trifluoromethyl-benzyl)-7-[6-(4-meth...)Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cnc2NCCN(Cc3cc(Cl)ccc3C(F)(F)F)c2c1 Show InChI InChI=1S/C25H26ClF3N6/c1-33-8-10-34(11-9-33)23-5-2-17(14-31-23)18-13-22-24(32-15-18)30-6-7-35(22)16-19-12-20(26)3-4-21(19)25(27,28)29/h2-5,12-15H,6-11,16H2,1H3,(H,30,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK by time-resolved fluorescence assay |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321054
(1-(5-Chloro-2-trifluoromethyl-benzyl)-7-(2-piperaz...)Show SMILES FC(F)(F)c1ccc(Cl)cc1CN1CCNc2ncc(cc12)-c1ccnc(c1)N1CCNCC1 Show InChI InChI=1S/C24H24ClF3N6/c25-19-1-2-20(24(26,27)28)18(11-19)15-34-10-7-31-23-21(34)12-17(14-32-23)16-3-4-30-22(13-16)33-8-5-29-6-9-33/h1-4,11-14,29H,5-10,15H2,(H,31,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK by time-resolved fluorescence assay |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321053
(CHEMBL1163559 | {4-[1-(5-Chloro-2-trifluoromethyl-...)Show SMILES FC(F)(F)c1ccc(Cl)cc1CN1CCNc2ncc(cc12)-c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1 Show InChI InChI=1S/C31H33ClF3N5O/c32-25-7-8-27(31(33,34)35)24(17-25)20-40-16-11-36-29-28(40)18-23(19-37-29)21-3-5-22(6-4-21)30(41)39-14-9-26(10-15-39)38-12-1-2-13-38/h3-8,17-19,26H,1-2,9-16,20H2,(H,36,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK by time-resolved fluorescence assay |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321046
(1-(2-Chloro-3,6-difluoro-benzyl)-7-[6-(4-methylpip...)Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cnc2NCCN(Cc3c(F)ccc(F)c3Cl)c2c1 Show InChI InChI=1S/C24H25ClF2N6/c1-31-8-10-32(11-9-31)22-5-2-16(13-29-22)17-12-21-24(30-14-17)28-6-7-33(21)15-18-19(26)3-4-20(27)23(18)25/h2-5,12-14H,6-11,15H2,1H3,(H,28,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK by time-resolved fluorescence assay |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321045
(1-(2,5-Dichloro-benzyl)-7-[6-(4-methyl-piperazin-1...)Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cnc2NCCN(Cc3cc(Cl)ccc3Cl)c2c1 Show InChI InChI=1S/C24H26Cl2N6/c1-30-8-10-31(11-9-30)23-5-2-17(14-28-23)18-13-22-24(29-15-18)27-6-7-32(22)16-19-12-20(25)3-4-21(19)26/h2-5,12-15H,6-11,16H2,1H3,(H,27,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK by time-resolved fluorescence assay |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321040
(CHEMBL1165318 | {4-[1-(2,5-Difluoro-benzyl)-1,2,3,...)Show SMILES Fc1ccc(F)c(CN2CCNc3ncc(cc23)-c2ccc(cc2)C(=O)N2CCC[C@H]2CN2CCCC2)c1 |r| Show InChI InChI=1S/C30H33F2N5O/c31-25-9-10-27(32)24(16-25)19-36-15-11-33-29-28(36)17-23(18-34-29)21-5-7-22(8-6-21)30(38)37-14-3-4-26(37)20-35-12-1-2-13-35/h5-10,16-18,26H,1-4,11-15,19-20H2,(H,33,34)/t26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK by time-resolved fluorescence assay |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321055
(1-[4-(4-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,...)Show SMILES CC(=O)N1CCN(CC1)c1cc(ccn1)-c1cnc2NCCN(Cc3cc(Cl)ccc3C(F)(F)F)c2c1 Show InChI InChI=1S/C26H26ClF3N6O/c1-17(37)34-8-10-35(11-9-34)24-14-18(4-5-31-24)19-13-23-25(33-15-19)32-6-7-36(23)16-20-12-21(27)2-3-22(20)26(28,29)30/h2-5,12-15H,6-11,16H2,1H3,(H,32,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK by time-resolved fluorescence assay |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321038
(CHEMBL1165334 | {4-[1-(2,6-Dichloro-benzyl)-1,2,3,...)Show SMILES Clc1cccc(Cl)c1CN1CCNc2ncc(cc12)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1 |r| Show InChI InChI=1S/C30H33Cl2N5O/c31-26-6-3-7-27(32)25(26)20-36-16-12-33-29-28(36)17-23(18-34-29)21-8-10-22(11-9-21)30(38)37-15-4-5-24(37)19-35-13-1-2-14-35/h3,6-11,17-18,24H,1-2,4-5,12-16,19-20H2,(H,33,34)/t24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK by time-resolved fluorescence assay |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321042
(1-(2,5-Difluoro-benzyl)-7-[6-(4-methyl-piperazin-1...)Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cnc2NCCN(Cc3cc(F)ccc3F)c2c1 Show InChI InChI=1S/C24H26F2N6/c1-30-8-10-31(11-9-30)23-5-2-17(14-28-23)18-13-22-24(29-15-18)27-6-7-32(22)16-19-12-20(25)3-4-21(19)26/h2-5,12-15H,6-11,16H2,1H3,(H,27,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK by time-resolved fluorescence assay |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321052
(CHEMBL1163567 | {1-[(5-Chloro-2-trifluoromethyl)be...)Show SMILES COC1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc2NCCN(Cc3cc(Cl)ccc3C(F)(F)F)c2c1 Show InChI InChI=1S/C28H28ClF3N4O2/c1-38-23-8-11-35(12-9-23)27(37)19-4-2-18(3-5-19)20-15-25-26(34-16-20)33-10-13-36(25)17-21-14-22(29)6-7-24(21)28(30,31)32/h2-7,14-16,23H,8-13,17H2,1H3,(H,33,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK by time-resolved fluorescence assay |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321058
(CHEMBL1163518 | {1-[(5-Chloro-2-trifluoromethyl)be...)Show SMILES FC(F)(F)c1ccc(Cl)cc1CN1CCNc2ncc(cc12)-c1ccc(cc1)C(=O)N1CCCCC1 Show InChI InChI=1S/C27H26ClF3N4O/c28-22-8-9-23(27(29,30)31)21(14-22)17-35-13-10-32-25-24(35)15-20(16-33-25)18-4-6-19(7-5-18)26(36)34-11-2-1-3-12-34/h4-9,14-16H,1-3,10-13,17H2,(H,32,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 121 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK by time-resolved fluorescence assay |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321041
((S)-1-(2,5-difluorobenzyl)-7-(4-(2-(pyrrolidin-1-y...)Show SMILES Fc1ccc(F)c(CN2C(=O)CNc3ncc(cc23)-c2ccc(cc2)C(=O)N2CCC[C@H]2CN2CCCC2)c1 |r| Show InChI InChI=1S/C30H31F2N5O2/c31-24-9-10-26(32)23(14-24)18-37-27-15-22(16-33-29(27)34-17-28(37)38)20-5-7-21(8-6-20)30(39)36-13-3-4-25(36)19-35-11-1-2-12-35/h5-10,14-16,25H,1-4,11-13,17-19H2,(H,33,34)/t25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 145 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK by time-resolved fluorescence assay |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321054
(1-(5-Chloro-2-trifluoromethyl-benzyl)-7-(2-piperaz...)Show SMILES FC(F)(F)c1ccc(Cl)cc1CN1CCNc2ncc(cc12)-c1ccnc(c1)N1CCNCC1 Show InChI InChI=1S/C24H24ClF3N6/c25-19-1-2-20(24(26,27)28)18(11-19)15-34-10-7-31-23-21(34)12-17(14-32-23)16-3-4-30-22(13-16)33-8-5-29-6-9-33/h1-4,11-14,29H,5-10,15H2,(H,31,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK phosphorylation in human Karpas-299 cells by immunoblotting and ELISA |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321042
(1-(2,5-Difluoro-benzyl)-7-[6-(4-methyl-piperazin-1...)Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cnc2NCCN(Cc3cc(F)ccc3F)c2c1 Show InChI InChI=1S/C24H26F2N6/c1-30-8-10-31(11-9-30)23-5-2-17(14-28-23)18-13-22-24(29-15-18)27-6-7-32(22)16-19-12-20(25)3-4-21(19)26/h2-5,12-15H,6-11,16H2,1H3,(H,27,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK phosphorylation in human Karpas-299 cells by immunoblotting and ELISA |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321053
(CHEMBL1163559 | {4-[1-(5-Chloro-2-trifluoromethyl-...)Show SMILES FC(F)(F)c1ccc(Cl)cc1CN1CCNc2ncc(cc12)-c1ccc(cc1)C(=O)N1CCC(CC1)N1CCCC1 Show InChI InChI=1S/C31H33ClF3N5O/c32-25-7-8-27(31(33,34)35)24(17-25)20-40-16-11-36-29-28(40)18-23(19-37-29)21-3-5-22(6-4-21)30(41)39-14-9-26(10-15-39)38-12-1-2-13-38/h3-8,17-19,26H,1-2,9-16,20H2,(H,36,37) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK phosphorylation in human Karpas-299 cells by immunoblotting and ELISA |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321055
(1-[4-(4-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,...)Show SMILES CC(=O)N1CCN(CC1)c1cc(ccn1)-c1cnc2NCCN(Cc3cc(Cl)ccc3C(F)(F)F)c2c1 Show InChI InChI=1S/C26H26ClF3N6O/c1-17(37)34-8-10-35(11-9-34)24-14-18(4-5-31-24)19-13-23-25(33-15-19)32-6-7-36(23)16-20-12-21(27)2-3-22(20)26(28,29)30/h2-5,12-15H,6-11,16H2,1H3,(H,32,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK phosphorylation in human Karpas-299 cells by immunoblotting and ELISA |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50378787
(CHEMBL1202141)Show SMILES O=C(N1CCC[C@H]1CN1CCCC1)c1ccc(cc1)-c1cnc2NCCN(Cc3ccccc3)c2c1 |r| Show InChI InChI=1S/C30H35N5O/c36-30(35-17-6-9-27(35)22-33-15-4-5-16-33)25-12-10-24(11-13-25)26-19-28-29(32-20-26)31-14-18-34(28)21-23-7-2-1-3-8-23/h1-3,7-8,10-13,19-20,27H,4-6,9,14-18,21-22H2,(H,31,32)/t27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 256 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK by time-resolved fluorescence assay |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321039
((S)-1-(2,6-dichlorobenzyl)-7-(4-(2-(pyrrolidin-1-y...)Show SMILES Clc1cccc(Cl)c1CN1C(=O)CNc2ncc(cc12)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1 |r| Show InChI InChI=1S/C30H31Cl2N5O2/c31-25-6-3-7-26(32)24(25)19-37-27-15-22(16-33-29(27)34-17-28(37)38)20-8-10-21(11-9-20)30(39)36-14-4-5-23(36)18-35-12-1-2-13-35/h3,6-11,15-16,23H,1-2,4-5,12-14,17-19H2,(H,33,34)/t23-/m0/s1 | PDB
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| n/a | n/a | 278 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK by time-resolved fluorescence assay |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321052
(CHEMBL1163567 | {1-[(5-Chloro-2-trifluoromethyl)be...)Show SMILES COC1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc2NCCN(Cc3cc(Cl)ccc3C(F)(F)F)c2c1 Show InChI InChI=1S/C28H28ClF3N4O2/c1-38-23-8-11-35(12-9-23)27(37)19-4-2-18(3-5-19)20-15-25-26(34-16-20)33-10-13-36(25)17-21-14-22(29)6-7-24(21)28(30,31)32/h2-7,14-16,23H,8-13,17H2,1H3,(H,33,34) | PDB
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| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK phosphorylation in human Karpas-299 cells by immunoblotting and ELISA |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321047
(1-(2,5-Difluoro-benzenesulfonyl)-7-[6-(4-methylpip...)Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cnc2NCCN(c2c1)S(=O)(=O)c1cc(F)ccc1F Show InChI InChI=1S/C23H24F2N6O2S/c1-29-8-10-30(11-9-29)22-5-2-16(14-27-22)17-12-20-23(28-15-17)26-6-7-31(20)34(32,33)21-13-18(24)3-4-19(21)25/h2-5,12-15H,6-11H2,1H3,(H,26,28) | PDB
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| n/a | n/a | 465 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK by time-resolved fluorescence assay |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321044
(1-(2-Chloro-5-trifluoromethyl-benzyl)-7-[6-(4-meth...)Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cnc2NCCN(Cc3c(Cl)cccc3C(F)(F)F)c2c1 Show InChI InChI=1S/C25H26ClF3N6/c1-33-9-11-34(12-10-33)23-6-5-17(14-31-23)18-13-22-24(32-15-18)30-7-8-35(22)16-19-20(25(27,28)29)3-2-4-21(19)26/h2-6,13-15H,7-12,16H2,1H3,(H,30,32) | PDB
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| n/a | n/a | 506 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK by time-resolved fluorescence assay |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321057
(4-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-...)Show SMILES OC(=O)c1ccc(cc1)-c1cnc2NCCN(Cc3cc(Cl)ccc3C(F)(F)F)c2c1 Show InChI InChI=1S/C22H17ClF3N3O2/c23-17-5-6-18(22(24,25)26)16(9-17)12-29-8-7-27-20-19(29)10-15(11-28-20)13-1-3-14(4-2-13)21(30)31/h1-6,9-11H,7-8,12H2,(H,27,28)(H,30,31) | PDB
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| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK by time-resolved fluorescence assay |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321050
(4-(2,5-Difluoro-benzyl)-6-[6-(4-methyl-piperazin-1...)Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cnc2NCCC(Cc3cc(F)ccc3F)c2c1 Show InChI InChI=1S/C25H27F2N5/c1-31-8-10-32(11-9-31)24-5-2-18(15-29-24)20-14-22-17(6-7-28-25(22)30-16-20)12-19-13-21(26)3-4-23(19)27/h2-5,13-17H,6-12H2,1H3,(H,28,30) | PDB
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| n/a | n/a | 1.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK by time-resolved fluorescence assay |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321056
(4-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-...)Show SMILES CCOC(=O)c1ccc(cc1)-c1cnc2NCCN(Cc3cc(Cl)ccc3C(F)(F)F)c2c1 Show InChI InChI=1S/C24H21ClF3N3O2/c1-2-33-23(32)16-5-3-15(4-6-16)17-12-21-22(30-13-17)29-9-10-31(21)14-18-11-19(25)7-8-20(18)24(26,27)28/h3-8,11-13H,2,9-10,14H2,1H3,(H,29,30) | PDB
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| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK by time-resolved fluorescence assay |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321051
(1-(2,5-Dichloro-benzyl)-4-methyl-7-[6-(4-methyl-pi...)Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cnc2N(C)CCN(Cc3cc(Cl)ccc3Cl)c2c1 Show InChI InChI=1S/C25H28Cl2N6/c1-30-7-10-32(11-8-30)24-6-3-18(15-28-24)19-14-23-25(29-16-19)31(2)9-12-33(23)17-20-13-21(26)4-5-22(20)27/h3-6,13-16H,7-12,17H2,1-2H3 | PDB
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| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK by time-resolved fluorescence assay |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321037
((S)-1-benzyl-7-(4-(2-(pyrrolidin-1-ylmethyl)pyrrol...)Show SMILES O=C(N1CCC[C@H]1CN1CCCC1)c1ccc(cc1)-c1cnc2NCC(=O)N(Cc3ccccc3)c2c1 |r| Show InChI InChI=1S/C30H33N5O2/c36-28-19-32-29-27(35(28)20-22-7-2-1-3-8-22)17-25(18-31-29)23-10-12-24(13-11-23)30(37)34-16-6-9-26(34)21-33-14-4-5-15-33/h1-3,7-8,10-13,17-18,26H,4-6,9,14-16,19-21H2,(H,31,32)/t26-/m0/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK by time-resolved fluorescence assay |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321048
((2,5-Difluoro-phenyl)-{7-[4-((S)-2-pyrrolidin-1-yl...)Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cnc2NCCN(C(=O)Cc3cc(F)ccc3F)c2c1 Show InChI InChI=1S/C25H26F2N6O/c1-31-8-10-32(11-9-31)23-5-2-17(15-29-23)19-13-22-25(30-16-19)28-6-7-33(22)24(34)14-18-12-20(26)3-4-21(18)27/h2-5,12-13,15-16H,6-11,14H2,1H3,(H,28,30) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK by time-resolved fluorescence assay |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50321049
(4-(2-Chloro-3,6-difluoro-phenoxy)-6-[6-(4-methylpi...)Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cnc2NCCC(Oc3c(F)ccc(F)c3Cl)c2c1 Show InChI InChI=1S/C24H24ClF2N5O/c1-31-8-10-32(11-9-31)21-5-2-15(13-29-21)16-12-17-20(6-7-28-24(17)30-14-16)33-23-19(27)4-3-18(26)22(23)25/h2-5,12-14,20H,6-11H2,1H3,(H,28,30) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK by time-resolved fluorescence assay |
Bioorg Med Chem 18: 4351-62 (2010)
Article DOI: 10.1016/j.bmc.2010.04.087
BindingDB Entry DOI: 10.7270/Q2057GXW |
More data for this
Ligand-Target Pair | |
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