Found 9 hits of kd for UniProtKB: P11274 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50325999
(3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...)Show SMILES NC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-6-4-13(5-7-14)25-16-9-15(23-10-24-16)11-2-1-3-12(8-11)17(22)26/h1-10H,(H2,22,26)(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells |
J Med Chem 53: 6934-46 (2010)
Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50328135
(CHEMBL1257308 | N-(4-(6-(4-(trifluoromethoxy)pheny...)Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 Show InChI InChI=1S/C18H15F3N4O3S/c1-29(26,27)25-14-4-2-12(3-5-14)16-10-17(23-11-22-16)24-13-6-8-15(9-7-13)28-18(19,20)21/h2-11,25H,1H3,(H,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells |
J Med Chem 53: 6934-46 (2010)
Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50328136
(6-(1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)...)Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)23-11-3-1-10(2-4-11)22-13-5-12(18-8-19-13)9-6-20-21-7-9/h1-8H,(H,20,21)(H,18,19,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells |
J Med Chem 53: 6934-46 (2010)
Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50328137
(6-(1-methyl-1H-pyrazol-4-yl)-N-(4-(trifluoromethox...)Show InChI InChI=1S/C15H12F3N5O/c1-23-8-10(7-21-23)13-6-14(20-9-19-13)22-11-2-4-12(5-3-11)24-15(16,17)18/h2-9H,1H3,(H,19,20,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells |
J Med Chem 53: 6934-46 (2010)
Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50459091
(ABL-001 | ABL001 | ABL001-NX | Asciminib | NVP-ABL...)Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1cc[nH]n1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-13(2-4-15)26-19(30)12-9-16(17-5-7-25-27-17)18(24-10-12)28-8-6-14(29)11-28/h1-5,7,9-10,14,29H,6,8,11H2,(H,25,27)(H,26,30)/t14-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.450 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00073
BindingDB Entry DOI: 10.7270/Q2028WJ8 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50328122
(4-((4-(4-(trifluoromethoxy)phenylamino)-1H-pyrazol...)Show SMILES NC(=O)c1ccc(Cn2ncc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc23)cc1 Show InChI InChI=1S/C20H15F3N6O2/c21-20(22,23)31-15-7-5-14(6-8-15)28-18-16-9-27-29(19(16)26-11-25-18)10-12-1-3-13(4-2-12)17(24)30/h1-9,11H,10H2,(H2,24,30)(H,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 598 | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells |
J Med Chem 53: 6934-46 (2010)
Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50328125
(1-(pyridin-4-ylmethyl)-N-(4-(trifluoromethoxy)phen...)Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(Cc4ccncc4)ncc23)cc1 Show InChI InChI=1S/C18H13F3N6O/c19-18(20,21)28-14-3-1-13(2-4-14)26-16-15-9-25-27(17(15)24-11-23-16)10-12-5-7-22-8-6-12/h1-9,11H,10H2,(H,23,24,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 394 | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells |
J Med Chem 53: 6934-46 (2010)
Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50328126
(1-((2,4-dimethylthiazol-5-yl)methyl)-N-(4-(trifluo...)Show SMILES Cc1nc(C)c(Cn2ncc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc23)s1 Show InChI InChI=1S/C18H15F3N6OS/c1-10-15(29-11(2)25-10)8-27-17-14(7-24-27)16(22-9-23-17)26-12-3-5-13(6-4-12)28-18(19,20)21/h3-7,9H,8H2,1-2H3,(H,22,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 526 | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells |
J Med Chem 53: 6934-46 (2010)
Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50328138
((4-methylpiperazin-1-yl)(4-(4-(trifluoromethoxy)ph...)Show SMILES CN1CCN(CC1)C(=O)c1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2s1 Show InChI InChI=1S/C19H18F3N5O2S/c1-26-6-8-27(9-7-26)18(28)15-10-14-16(23-11-24-17(14)30-15)25-12-2-4-13(5-3-12)29-19(20,21)22/h2-5,10-11H,6-9H2,1H3,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description
Inhibition of Bcr-Abl in mouse BA/F3 cells |
J Med Chem 53: 6934-46 (2010)
Article DOI: 10.1021/jm100555f
BindingDB Entry DOI: 10.7270/Q2DJ5FTW |
More data for this
Ligand-Target Pair | |
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