Found 35 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 |
|---|
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190682
(CHEMBL3919290)Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nc(Cl)ncc1Br Show InChI InChI=1S/C15H13BrClF3N4O2S/c16-12-9-21-14(17)22-13(12)23-5-7-24(8-6-23)27(25,26)11-3-1-10(2-4-11)15(18,19)20/h1-4,9H,5-8H2 | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM13216
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190685
(CHEMBL3901729)Show InChI InChI=1S/C15H13BrClFN4O/c16-12-9-19-15(17)20-13(12)21-5-7-22(8-6-21)14(23)10-1-3-11(18)4-2-10/h1-4,9H,5-8H2 | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190715
(CHEMBL3955641)Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CCN(CC1)c1nc(Cl)ncc1Br Show InChI InChI=1S/C16H13BrClF3N4O/c17-12-9-22-15(18)23-13(12)24-5-7-25(8-6-24)14(26)10-1-3-11(4-2-10)16(19,20)21/h1-4,9H,5-8H2 | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190691
(CHEMBL3935473)Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nc(ncc1Br)N1CCOCC1 Show InChI InChI=1S/C19H21BrF3N5O3S/c20-16-13-24-18(27-9-11-31-12-10-27)25-17(16)26-5-7-28(8-6-26)32(29,30)15-3-1-14(2-4-15)19(21,22)23/h1-4,13H,5-12H2 | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190712
(CHEMBL3929105)Show SMILES [O-][N+](=O)c1cc(ccc1S(=O)(=O)N1CCN(CC1)c1nc(ncc1Br)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C19H20BrF3N6O5S/c20-14-12-24-18(27-7-9-34-10-8-27)25-17(14)26-3-5-28(6-4-26)35(32,33)16-2-1-13(19(21,22)23)11-15(16)29(30)31/h1-2,11-12H,3-10H2 | 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 | 20.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190679
(CHEMBL3953682)Show SMILES [O-][N+](=O)c1cc(ccc1S(=O)(=O)N1CCN(CC1)c1nc(Cl)ncc1Br)C(F)(F)F Show InChI InChI=1S/C15H12BrClF3N5O4S/c16-10-8-21-14(17)22-13(10)23-3-5-24(6-4-23)30(28,29)12-2-1-9(15(18,19)20)7-11(12)25(26)27/h1-2,7-8H,3-6H2 | 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 | 22.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190697
(CHEMBL3902150)Show SMILES Fc1ccc(cc1)C(=O)N1CCN(CC1)c1nc(ncc1Br)N1CCOCC1 Show InChI InChI=1S/C19H21BrFN5O2/c20-16-13-22-19(26-9-11-28-12-10-26)23-17(16)24-5-7-25(8-6-24)18(27)14-1-3-15(21)4-2-14/h1-4,13H,5-12H2 | 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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190714
(CHEMBL3973189)Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CCN(CC1)c1nc(ncc1Br)N1CCOCC1 Show InChI InChI=1S/C20H21BrF3N5O2/c21-16-13-25-19(29-9-11-31-12-10-29)26-17(16)27-5-7-28(8-6-27)18(30)14-1-3-15(4-2-14)20(22,23)24/h1-4,13H,5-12H2 | 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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190724
(CHEMBL3898504)Show SMILES Brc1cnc(nc1N1CCN(CC1)S(=O)(=O)C1CC1)N1CCOCC1 Show InChI InChI=1S/C15H22BrN5O3S/c16-13-11-17-15(20-7-9-24-10-8-20)18-14(13)19-3-5-21(6-4-19)25(22,23)12-1-2-12/h11-12H,1-10H2 | 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 | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190713
(CHEMBL3926043)Show InChI InChI=1S/C9H12BrClN4O2S/c1-18(16,17)15-4-2-14(3-5-15)8-7(10)6-12-9(11)13-8/h6H,2-5H2,1H3 | 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 | 255 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190673
(CHEMBL3907528)Show SMILES Brc1cnc(nc1N1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1ccccc1)N1CCOCC1 Show InChI InChI=1S/C24H26BrN5O3S/c25-22-18-26-24(29-14-16-33-17-15-29)27-23(22)28-10-12-30(13-11-28)34(31,32)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h1-9,18H,10-17H2 | 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 | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190717
(CHEMBL3939233)Show SMILES COC(=O)NC(C(C)C)C(=O)N1CCN(CC1)c1nc(Cl)ncc1Br Show InChI InChI=1S/C15H21BrClN5O3/c1-9(2)11(19-15(24)25-3)13(23)22-6-4-21(5-7-22)12-10(16)8-18-14(17)20-12/h8-9,11H,4-7H2,1-3H3,(H,19,24) | 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 | 385 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190690
(CHEMBL3938136)Show SMILES Brc1cnc(nc1N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1)N1CCOCC1 Show InChI InChI=1S/C22H24BrN5O3S/c23-20-16-24-22(27-11-13-31-14-12-27)25-21(20)26-7-9-28(10-8-26)32(29,30)19-6-5-17-3-1-2-4-18(17)15-19/h1-6,15-16H,7-14H2 | 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 | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190722
(CHEMBL3957729)Show SMILES Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)c1nc(Cl)ncc1Br Show InChI InChI=1S/C13H15BrClN5O3S/c1-8-11(9(2)23-18-8)24(21,22)20-5-3-19(4-6-20)12-10(14)7-16-13(15)17-12/h7H,3-6H2,1-2H3 | 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 | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190683
(CHEMBL3956666)Show SMILES Clc1ncc(Br)c(n1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H18BrClN4O2S/c21-18-14-23-20(22)24-19(18)25-10-12-26(13-11-25)29(27,28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,14H,10-13H2 | 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 | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190694
(CHEMBL3972893)Show SMILES Fc1cccc(F)c1C(=O)N1CCN(CC1)c1nc(ncc1Br)N1CCOCC1 Show InChI InChI=1S/C19H20BrF2N5O2/c20-13-12-23-19(27-8-10-29-11-9-27)24-17(13)25-4-6-26(7-5-25)18(28)16-14(21)2-1-3-15(16)22/h1-3,12H,4-11H2 | 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 | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190692
(CHEMBL3953140)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nc(ncc1Br)N1CCOCC1 Show InChI InChI=1S/C22H30BrN5O3S/c1-22(2,3)17-4-6-18(7-5-17)32(29,30)28-10-8-26(9-11-28)20-19(23)16-24-21(25-20)27-12-14-31-15-13-27/h4-7,16H,8-15H2,1-3H3 | 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 | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190718
(CHEMBL3954069)Show SMILES Clc1ncc(Br)c(n1)N1CCN(CC1)C(=O)c1cc(Cl)c(Cl)c(Cl)n1 Show InChI InChI=1S/C14H10BrCl4N5O/c15-7-6-20-14(19)22-12(7)23-1-3-24(4-2-23)13(25)9-5-8(16)10(17)11(18)21-9/h5-6H,1-4H2 | 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 | 1.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190720
(CHEMBL3944423)Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)N1CCN(CC1)c1nc(ncc1Br)N1CCOCC1 Show InChI InChI=1S/C20H26BrN5O3S/c1-15-3-4-18(16(2)13-15)30(27,28)26-7-5-24(6-8-26)19-17(21)14-22-20(23-19)25-9-11-29-12-10-25/h3-4,13-14H,5-12H2,1-2H3 | 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 | 1.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190674
(CHEMBL3916487)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nc(ncc1Br)N1CCOCC1 Show InChI InChI=1S/C19H24BrN5O3S/c1-15-2-4-16(5-3-15)29(26,27)25-8-6-23(7-9-25)18-17(20)14-21-19(22-18)24-10-12-28-13-11-24/h2-5,14H,6-13H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190723
(CHEMBL3948007)Show SMILES FC(F)(F)c1cc(cc(c1)S(=O)(=O)N1CCN(CC1)c1nc(Cl)ncc1Br)C(F)(F)F Show InChI InChI=1S/C16H12BrClF6N4O2S/c17-12-8-25-14(18)26-13(12)27-1-3-28(4-2-27)31(29,30)11-6-9(15(19,20)21)5-10(7-11)16(22,23)24/h5-8H,1-4H2 | 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 | 2.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190689
(CHEMBL3919127)Show SMILES Clc1ccc(Cl)c(c1)C(=O)N1CCN(CC1)c1nc(Cl)ncc1Br Show InChI InChI=1S/C15H12BrCl3N4O/c16-11-8-20-15(19)21-13(11)22-3-5-23(6-4-22)14(24)10-7-9(17)1-2-12(10)18/h1-2,7-8H,3-6H2 | 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 | 2.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190672
(CHEMBL3928027)Show SMILES [O-][N+](=O)c1cc(Cl)ccc1C(=O)N1CCN(CC1)c1nc(Cl)ncc1Br Show InChI InChI=1S/C15H12BrCl2N5O3/c16-11-8-19-15(18)20-13(11)21-3-5-22(6-4-21)14(24)10-2-1-9(17)7-12(10)23(25)26/h1-2,7-8H,3-6H2 | 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 | 2.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190680
(CHEMBL3937023)Show InChI InChI=1S/C15H12BrClF2N4O/c16-9-8-20-15(17)21-13(9)22-4-6-23(7-5-22)14(24)12-10(18)2-1-3-11(12)19/h1-3,8H,4-7H2 | 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 | 2.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190678
(CHEMBL3946930)Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nc(ncc1Br)N1CCOCC1 Show InChI InChI=1S/C18H21BrFN5O3S/c19-16-13-21-18(24-9-11-28-12-10-24)22-17(16)23-5-7-25(8-6-23)29(26,27)15-3-1-14(20)2-4-15/h1-4,13H,5-12H2 | 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 | 4.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190688
(CHEMBL3912332)Show SMILES Clc1ncc(Br)c(n1)N1CCN(CC1)C(=O)c1cc(I)ccc1Cl Show InChI InChI=1S/C15H12BrCl2IN4O/c16-11-8-20-15(18)21-13(11)22-3-5-23(6-4-22)14(24)10-7-9(19)1-2-12(10)17/h1-2,7-8H,3-6H2 | 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 | 1.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190711
(CHEMBL3891205)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nc(Cl)ncc1Br Show InChI InChI=1S/C15H16BrClN4O2S/c1-11-2-4-12(5-3-11)24(22,23)21-8-6-20(7-9-21)14-13(16)10-18-15(17)19-14/h2-5,10H,6-9H2,1H3 | 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 | 5.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190676
(CHEMBL3910366)Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nc(Cl)ncc1Br Show InChI InChI=1S/C14H13BrClFN4O2S/c15-12-9-18-14(16)19-13(12)20-5-7-21(8-6-20)24(22,23)11-3-1-10(17)2-4-11/h1-4,9H,5-8H2 | 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 | 1.22E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190675
(CHEMBL3967349)Show InChI InChI=1S/C11H14BrClN4O2S/c12-9-7-14-11(13)15-10(9)16-3-5-17(6-4-16)20(18,19)8-1-2-8/h7-8H,1-6H2 | 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 | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190721
(CHEMBL3963388)Show SMILES [O-][N+](=O)c1cc(Cl)ccc1C(=O)N1CCN(CC1)c1nc(ncc1Br)N1CCOCC1 Show InChI InChI=1S/C19H20BrClN6O4/c20-15-12-22-19(26-7-9-31-10-8-26)23-17(15)24-3-5-25(6-4-24)18(28)14-2-1-13(21)11-16(14)27(29)30/h1-2,11-12H,3-10H2 | 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 | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190719
(CHEMBL3904773)Show SMILES Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)c1nc(ncc1Br)N1CCOCC1 Show InChI InChI=1S/C17H23BrN6O4S/c1-12-15(13(2)28-21-12)29(25,26)24-5-3-22(4-6-24)16-14(18)11-19-17(20-16)23-7-9-27-10-8-23/h11H,3-10H2,1-2H3 | 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 | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190716
(CHEMBL3985349)Show InChI InChI=1S/C11H16BrClN4O2S/c1-2-7-20(18,19)17-5-3-16(4-6-17)10-9(12)8-14-11(13)15-10/h8H,2-7H2,1H3 | 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 | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190681
(CHEMBL3958973)Show SMILES Clc1cc(c(Cl)s1)S(=O)(=O)N1CCN(CC1)c1nc(ncc1Br)N1CCOCC1 Show InChI InChI=1S/C16H18BrCl2N5O3S2/c17-11-10-20-16(23-5-7-27-8-6-23)21-15(11)22-1-3-24(4-2-22)29(25,26)12-9-13(18)28-14(12)19/h9-10H,1-8H2 | 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 | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50190693
(CHEMBL3925472)Show SMILES Brc1cnc(nc1N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C#N)N1CCOCC1 Show InChI InChI=1S/C19H21BrN6O3S/c20-17-14-22-19(25-9-11-29-12-10-25)23-18(17)24-5-7-26(8-6-24)30(27,28)16-3-1-15(13-21)2-4-16/h1-4,14H,5-12H2 | 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 | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rallis India Limited
Curated by ChEMBL
| Assay Description
Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay |
Eur J Med Chem 119: 70-82 (2016)
Article DOI: 10.1016/j.ejmech.2016.04.056
BindingDB Entry DOI: 10.7270/Q2445PDS |
More data for this
Ligand-Target Pair | |
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