Found 457 hits with Last Name = 'long' and Initial = 'h' 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 |
Mu-type opioid receptor
(MOUSE) | BDBM50392801
(CHEMBL2151247)Show SMILES CNC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C34H49N5O9/c1-35-26(41)17-46-18-27(42)36-12-3-2-4-13-37-28(43)19-47-20-29(44)38-23-9-10-34(45)25-15-22-7-8-24(40)31-30(22)33(34,32(23)48-31)11-14-39(25)16-21-5-6-21/h7-8,21,23,25,32,40,45H,2-6,9-20H2,1H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t23-,25-,32+,33+,34-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.324 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]-DAMGO from mouse MOR expressed in HEK293 cells |
ACS Med Chem Lett 3: 640-644 (2012)
Article DOI: 10.1021/ml300083p BindingDB Entry DOI: 10.7270/Q2BR8T8V |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(MOUSE) | BDBM50000787
((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.646 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]-DAMGO from mouse MOR expressed in HEK293 cells |
ACS Med Chem Lett 3: 640-644 (2012)
Article DOI: 10.1021/ml300083p BindingDB Entry DOI: 10.7270/Q2BR8T8V |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50370067
(CHEMBL1237164)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 2.63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]-DPDPE from mouse DOR expressed in HEK293 cells |
ACS Med Chem Lett 3: 640-644 (2012)
Article DOI: 10.1021/ml300083p BindingDB Entry DOI: 10.7270/Q2BR8T8V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mu-type opioid receptor
(MOUSE) | BDBM50001707
(10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O |TLB:14:12:8.9.10:1.3.2,THB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]-DAMGO from mouse MOR expressed in HEK293 cells |
ACS Med Chem Lett 3: 640-644 (2012)
Article DOI: 10.1021/ml300083p BindingDB Entry DOI: 10.7270/Q2BR8T8V |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(MOUSE) | BDBM50392797
(CHEMBL2151327)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@@H]4NC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)Nc1cccc2c3C[C@@]4(O)[C@H]6Cc7ccc(OCCc8ccccc8)c8O[C@@H](c3[nH]c12)[C@]4(CCN6CC1CC1)c78)ccc5O |r| Show InChI InChI=1S/C64H75N7O12/c1-70-26-22-61-53-39-15-17-45(72)57(53)82-59(61)44(19-21-63(61,77)47(70)29-39)68-52(76)36-80-34-50(74)66-25-7-3-6-24-65-49(73)33-79-35-51(75)67-43-12-8-11-41-42-31-64(78)48-30-40-16-18-46(81-28-20-37-9-4-2-5-10-37)58-54(40)62(64,23-27-71(48)32-38-13-14-38)60(83-58)56(42)69-55(41)43/h2,4-5,8-12,15-18,38,44,47-48,59-60,69,72,77-78H,3,6-7,13-14,19-36H2,1H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t44-,47+,48+,59-,60-,61-,62-,63+,64+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]-DAMGO from mouse MOR expressed in HEK293 cells |
ACS Med Chem Lett 3: 640-644 (2012)
Article DOI: 10.1021/ml300083p BindingDB Entry DOI: 10.7270/Q2BR8T8V |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(MOUSE) | BDBM50370067
(CHEMBL1237164)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 16.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]-DAMGO from mouse MOR expressed in HEK293 cells |
ACS Med Chem Lett 3: 640-644 (2012)
Article DOI: 10.1021/ml300083p BindingDB Entry DOI: 10.7270/Q2BR8T8V |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50039029
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r| Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 16.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]-DPDPE from mouse DOR expressed in HEK293 cells |
ACS Med Chem Lett 3: 640-644 (2012)
Article DOI: 10.1021/ml300083p BindingDB Entry DOI: 10.7270/Q2BR8T8V |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50392799
(CHEMBL2151245)Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1c(-[#6])cc(-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6@@H]-2-[#6]-[#6][C@@]3([#8])[#6@H]-4-[#6]-c5ccc(-[#8])c6-[#8]-[#6@@H]-2[C@]3([#6]-[#6]-[#7]-4-[#6]-[#6]-2-[#6]-[#6]-2)c56)cc1-[#6] |r| Show InChI InChI=1S/C58H77N7O10/c1-5-64(6-2)56(71)41-14-12-39(13-15-41)52(40-19-25-59-26-20-40)51-36(3)28-43(29-37(51)4)62-49(69)34-73-32-47(67)60-23-8-7-9-24-61-48(68)33-74-35-50(70)63-44-18-21-58(72)46-30-42-16-17-45(66)54-53(42)57(58,55(44)75-54)22-27-65(46)31-38-10-11-38/h12-17,28-29,38,44,46,55,59,66,72H,5-11,18-27,30-35H2,1-4H3,(H,60,67)(H,61,68)(H,62,69)(H,63,70)/t44-,46-,55+,57+,58-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]-DPDPE from mouse DOR expressed in HEK293 cells |
ACS Med Chem Lett 3: 640-644 (2012)
Article DOI: 10.1021/ml300083p BindingDB Entry DOI: 10.7270/Q2BR8T8V |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(MOUSE) | BDBM50392802
(CHEMBL2151248)Show SMILES CNC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3C)c45 |r| Show InChI InChI=1S/C31H45N5O9/c1-32-23(38)15-43-16-24(39)33-11-4-3-5-12-34-25(40)17-44-18-26(41)35-20-8-9-31(42)22-14-19-6-7-21(37)28-27(19)30(31,29(20)45-28)10-13-36(22)2/h6-7,20,22,29,37,42H,3-5,8-18H2,1-2H3,(H,32,38)(H,33,39)(H,34,40)(H,35,41)/t20-,22+,29-,30-,31+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 22.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]-DAMGO from mouse MOR expressed in HEK293 cells |
ACS Med Chem Lett 3: 640-644 (2012)
Article DOI: 10.1021/ml300083p BindingDB Entry DOI: 10.7270/Q2BR8T8V |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50392801
(CHEMBL2151247)Show SMILES CNC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C34H49N5O9/c1-35-26(41)17-46-18-27(42)36-12-3-2-4-13-37-28(43)19-47-20-29(44)38-23-9-10-34(45)25-15-22-7-8-24(40)31-30(22)33(34,32(23)48-31)11-14-39(25)16-21-5-6-21/h7-8,21,23,25,32,40,45H,2-6,9-20H2,1H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t23-,25-,32+,33+,34-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 30.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]-DPDPE from mouse DOR expressed in HEK293 cells |
ACS Med Chem Lett 3: 640-644 (2012)
Article DOI: 10.1021/ml300083p BindingDB Entry DOI: 10.7270/Q2BR8T8V |
More data for this Ligand-Target Pair | |
Pyruvate kinase PKM
(Homo sapiens (Human)) | BDBM50455474
(CHEMBL4218770)Show SMILES [H][C@@]12CS[C@H](CCCCC(=O)NCCOCCOCCOCCn3cc(CCCC(=O)O[C@]4(C)CCC5=C(C)CC[C@@]6([H])C(=C)C(=O)O[C@]6([H])[C@@]45[H])nn3)[C@]1([H])NC(=O)N2 |r,c:36| Show InChI InChI=1S/C39H58N6O9S/c1-25-11-12-29-26(2)37(48)53-36(29)34-28(25)13-14-39(34,3)54-33(47)10-6-7-27-23-45(44-43-27)16-18-51-20-22-52-21-19-50-17-15-40-32(46)9-5-4-8-31-35-30(24-55-31)41-38(49)42-35/h23,29-31,34-36H,2,4-22,24H2,1,3H3,(H,40,46)(H2,41,42,49)/t29-,30+,31+,34-,35+,36-,39+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description Irreversible binding affinity to recombinant human PKM2 expressed in Escherichia coli BL21 |
J Med Chem 61: 4155-4164 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00241 BindingDB Entry DOI: 10.7270/Q2C82CWR |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50392798
(CHEMBL2151328)Show SMILES Nc1cccc2c3C[C@@]4(O)[C@H]5Cc6ccc(OCCc7ccccc7)c7O[C@@H](c3[nH]c12)[C@]4(CCN5CC1CC1)c67 |r| Show InChI InChI=1S/C34H35N3O3/c35-25-8-4-7-23-24-18-34(38)27-17-22-11-12-26(39-16-13-20-5-2-1-3-6-20)31-28(22)33(34,14-15-37(27)19-21-9-10-21)32(40-31)30(24)36-29(23)25/h1-8,11-12,21,27,32,36,38H,9-10,13-19,35H2/t27-,32+,33+,34-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 91.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]-DPDPE from mouse DOR expressed in HEK293 cells |
ACS Med Chem Lett 3: 640-644 (2012)
Article DOI: 10.1021/ml300083p BindingDB Entry DOI: 10.7270/Q2BR8T8V |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(MOUSE) | BDBM50392798
(CHEMBL2151328)Show SMILES Nc1cccc2c3C[C@@]4(O)[C@H]5Cc6ccc(OCCc7ccccc7)c7O[C@@H](c3[nH]c12)[C@]4(CCN5CC1CC1)c67 |r| Show InChI InChI=1S/C34H35N3O3/c35-25-8-4-7-23-24-18-34(38)27-17-22-11-12-26(39-16-13-20-5-2-1-3-6-20)31-28(22)33(34,14-15-37(27)19-21-9-10-21)32(40-31)30(24)36-29(23)25/h1-8,11-12,21,27,32,36,38H,9-10,13-19,35H2/t27-,32+,33+,34-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]-DAMGO from mouse MOR expressed in HEK293 cells |
ACS Med Chem Lett 3: 640-644 (2012)
Article DOI: 10.1021/ml300083p BindingDB Entry DOI: 10.7270/Q2BR8T8V |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50392797
(CHEMBL2151327)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@@H]4NC(=O)COCC(=O)NCCCCCNC(=O)COCC(=O)Nc1cccc2c3C[C@@]4(O)[C@H]6Cc7ccc(OCCc8ccccc8)c8O[C@@H](c3[nH]c12)[C@]4(CCN6CC1CC1)c78)ccc5O |r| Show InChI InChI=1S/C64H75N7O12/c1-70-26-22-61-53-39-15-17-45(72)57(53)82-59(61)44(19-21-63(61,77)47(70)29-39)68-52(76)36-80-34-50(74)66-25-7-3-6-24-65-49(73)33-79-35-51(75)67-43-12-8-11-41-42-31-64(78)48-30-40-16-18-46(81-28-20-37-9-4-2-5-10-37)58-54(40)62(64,23-27-71(48)32-38-13-14-38)60(83-58)56(42)69-55(41)43/h2,4-5,8-12,15-18,38,44,47-48,59-60,69,72,77-78H,3,6-7,13-14,19-36H2,1H3,(H,65,73)(H,66,74)(H,67,75)(H,68,76)/t44-,47+,48+,59-,60-,61-,62-,63+,64+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 204 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]-DPDPE from mouse DOR expressed in HEK293 cells |
ACS Med Chem Lett 3: 640-644 (2012)
Article DOI: 10.1021/ml300083p BindingDB Entry DOI: 10.7270/Q2BR8T8V |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(MOUSE) | BDBM50392800
(CHEMBL2151246)Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1c(-[#6])cc(-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6])cc1-[#6] Show InChI InChI=1S/C39H56N6O7/c1-6-45(7-2)39(50)31-13-11-29(12-14-31)38(30-15-19-41-20-16-30)37-27(3)21-32(22-28(37)4)44-36(49)26-52-25-35(48)43-18-10-8-9-17-42-34(47)24-51-23-33(46)40-5/h11-14,21-22,41H,6-10,15-20,23-26H2,1-5H3,(H,40,46)(H,42,47)(H,43,48)(H,44,49) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]-DAMGO from mouse MOR expressed in HEK293 cells |
ACS Med Chem Lett 3: 640-644 (2012)
Article DOI: 10.1021/ml300083p BindingDB Entry DOI: 10.7270/Q2BR8T8V |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50001707
(10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O |TLB:14:12:8.9.10:1.3.2,THB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL DrugBank KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 724 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]-DPDPE from mouse DOR expressed in HEK293 cells |
ACS Med Chem Lett 3: 640-644 (2012)
Article DOI: 10.1021/ml300083p BindingDB Entry DOI: 10.7270/Q2BR8T8V |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50392800
(CHEMBL2151246)Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#7]-[#6]-[#6]-1)\c1c(-[#6])cc(-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#8]-[#6]-[#6](=O)-[#7]-[#6])cc1-[#6] Show InChI InChI=1S/C39H56N6O7/c1-6-45(7-2)39(50)31-13-11-29(12-14-31)38(30-15-19-41-20-16-30)37-27(3)21-32(22-28(37)4)44-36(49)26-52-25-35(48)43-18-10-8-9-17-42-34(47)24-51-23-33(46)40-5/h11-14,21-22,41H,6-10,15-20,23-26H2,1-5H3,(H,40,46)(H,42,47)(H,43,48)(H,44,49) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]-DPDPE from mouse DOR expressed in HEK293 cells |
ACS Med Chem Lett 3: 640-644 (2012)
Article DOI: 10.1021/ml300083p BindingDB Entry DOI: 10.7270/Q2BR8T8V |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50129952
(2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-c...)Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)| Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of PARP-1 (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735 BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this Ligand-Target Pair | |
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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of human recombinant wild type ABL1 expressed in insect cells after 30 mins by FRET assay |
J Med Chem 56: 879-94 (2013)
Article DOI: 10.1021/jm301581y BindingDB Entry DOI: 10.7270/Q2V40WH7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50322535
(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of human recombinant wild type ABL1 expressed in insect cells after 30 mins by FRET assay |
J Med Chem 56: 879-94 (2013)
Article DOI: 10.1021/jm301581y BindingDB Entry DOI: 10.7270/Q2V40WH7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399374
(CHEMBL2178270)Show SMILES CN(C)C1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H32F3N9O/c1-19-4-5-20(13-28(19)43-18-27(38-40-43)22-12-23-16-36-39-29(23)35-15-22)30(44)37-24-7-6-21(26(14-24)31(32,33)34)17-42-10-8-25(9-11-42)41(2)3/h4-7,12-16,18,25H,8-11,17H2,1-3H3,(H,37,44)(H,35,36,39) | 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 | 0.330 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50425780
(CHEMBL2316582)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H27F3N6O/c1-19-3-5-22(14-21(19)6-4-20-13-24-17-34-36-27(24)33-16-20)28(39)35-25-8-7-23(26(15-25)29(30,31)32)18-38-11-9-37(2)10-12-38/h3,5,7-8,13-17H,9-12,18H2,1-2H3,(H,35,39)(H,33,34,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of human recombinant wild type ABL1 expressed in insect cells after 30 mins by FRET assay |
J Med Chem 56: 879-94 (2013)
Article DOI: 10.1021/jm301581y BindingDB Entry DOI: 10.7270/Q2V40WH7 |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399367
(CHEMBL2178277)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H25ClF3N9O/c1-39-6-8-40(9-7-39)15-18-2-4-21(12-22(18)28(30,31)32)35-27(42)17-3-5-23(29)25(11-17)41-16-24(36-38-41)19-10-20-14-34-37-26(20)33-13-19/h2-5,10-14,16H,6-9,15H2,1H3,(H,35,42)(H,33,34,37) | 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 | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399373
(CHEMBL2178271)Show SMILES CN1C[C@H]2CN(Cc3ccc(NC(=O)c4ccc(C)c(c4)-n4cc(nn4)-c4cnc5[nH]ncc5c4)cc3C(F)(F)F)C[C@H]2C1 |r| Show InChI InChI=1S/C31H30F3N9O/c1-18-3-4-19(8-28(18)43-17-27(38-40-43)21-7-22-11-36-39-29(22)35-10-21)30(44)37-25-6-5-20(26(9-25)31(32,33)34)14-42-15-23-12-41(2)13-24(23)16-42/h3-11,17,23-24H,12-16H2,1-2H3,(H,37,44)(H,35,36,39)/t23-,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 | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399368
(CHEMBL2178276)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(F)c(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H25F4N9O/c1-39-6-8-40(9-7-39)15-18-2-4-21(12-22(18)28(30,31)32)35-27(42)17-3-5-23(29)25(11-17)41-16-24(36-38-41)19-10-20-14-34-37-26(20)33-13-19/h2-5,10-14,16H,6-9,15H2,1H3,(H,35,42)(H,33,34,37) | 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 | 0.420 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399376
(CHEMBL2178268)Show SMILES CN1CCCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H30F3N9O/c1-19-4-5-20(13-27(19)42-18-26(37-39-42)22-12-23-16-35-38-28(23)34-15-22)29(43)36-24-7-6-21(25(14-24)30(31,32)33)17-41-9-3-8-40(2)10-11-41/h4-7,12-16,18H,3,8-11,17H2,1-2H3,(H,36,43)(H,34,35,38) | 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 | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399379
(CHEMBL2177649)Show SMILES CN(C)[C@@H]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)C1 |r| Show InChI InChI=1S/C30H30F3N9O/c1-18-4-5-19(11-27(18)42-17-26(37-39-42)21-10-22-14-35-38-28(22)34-13-21)29(43)36-23-7-6-20(25(12-23)30(31,32)33)15-41-9-8-24(16-41)40(2)3/h4-7,10-14,17,24H,8-9,15-16H2,1-3H3,(H,36,43)(H,34,35,38)/t24-/m1/s1 | 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 | 0.450 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399382
(CHEMBL2177646)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc4[nH]nc(C)c4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H30F3N9O/c1-18-4-5-20(13-27(18)42-17-26(37-39-42)22-12-24-19(2)36-38-28(24)34-15-22)29(43)35-23-7-6-21(25(14-23)30(31,32)33)16-41-10-8-40(3)9-11-41/h4-7,12-15,17H,8-11,16H2,1-3H3,(H,35,43)(H,34,36,38) | 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 | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399380
(CHEMBL2177648)Show SMILES CN(C)[C@H]1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)C1 |r| Show InChI InChI=1S/C30H30F3N9O/c1-18-4-5-19(11-27(18)42-17-26(37-39-42)21-10-22-14-35-38-28(22)34-13-21)29(43)36-23-7-6-20(25(12-23)30(31,32)33)15-41-9-8-24(16-41)40(2)3/h4-7,10-14,17,24H,8-9,15-16H2,1-3H3,(H,36,43)(H,34,35,38)/t24-/m0/s1 | 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 | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399396
(CHEMBL2177632)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc4ccccn34)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H29F3N8O/c1-20-6-7-21(15-26(20)41-19-25(36-37-41)27-17-34-28-5-3-4-10-40(27)28)29(42)35-23-9-8-22(24(16-23)30(31,32)33)18-39-13-11-38(2)12-14-39/h3-10,15-17,19H,11-14,18H2,1-2H3,(H,35,42) | 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 | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399375
(CHEMBL2178269)Show SMILES CN1CCN(CC1)C1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C34H37F3N10O/c1-22-3-4-23(16-31(22)47-21-30(41-43-47)25-15-26-19-39-42-32(26)38-18-25)33(48)40-27-6-5-24(29(17-27)34(35,36)37)20-45-9-7-28(8-10-45)46-13-11-44(2)12-14-46/h3-6,15-19,21,28H,7-14,20H2,1-2H3,(H,40,48)(H,38,39,42) | 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 | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399394
(CHEMBL2177634)Show SMILES CNc1ncc(cn1)-c1cn(nn1)-c1cc(ccc1C)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C28H30F3N9O/c1-18-4-5-19(12-25(18)40-17-24(36-37-40)21-14-33-27(32-2)34-15-21)26(41)35-22-7-6-20(23(13-22)28(29,30)31)16-39-10-8-38(3)9-11-39/h4-7,12-15,17H,8-11,16H2,1-3H3,(H,35,41)(H,32,33,34) | 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 | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50425791
(CHEMBL2316583)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cccc(c3)C#Cc3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H25F3N6O/c1-36-9-11-37(12-10-36)18-22-7-8-24(15-25(22)28(29,30)31)34-27(38)21-4-2-3-19(13-21)5-6-20-14-23-17-33-35-26(23)32-16-20/h2-4,7-8,13-17H,9-12,18H2,1H3,(H,34,38)(H,32,33,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of human recombinant wild type ABL1 expressed in insect cells after 30 mins by FRET assay |
J Med Chem 56: 879-94 (2013)
Article DOI: 10.1021/jm301581y BindingDB Entry DOI: 10.7270/Q2V40WH7 |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399383
(CHEMBL2177645)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H28F3N9O/c1-18-3-4-19(12-26(18)41-17-25(36-38-41)21-11-22-15-34-37-27(22)33-14-21)28(42)35-23-6-5-20(24(13-23)29(30,31)32)16-40-9-7-39(2)8-10-40/h3-6,11-15,17H,7-10,16H2,1-2H3,(H,35,42)(H,33,34,37) | 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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399386
(CHEMBL2177642)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc4[nH]ccc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H29F3N8O/c1-19-3-4-21(14-27(19)41-18-26(37-38-41)23-13-20-7-8-34-28(20)35-16-23)29(42)36-24-6-5-22(25(15-24)30(31,32)33)17-40-11-9-39(2)10-12-40/h3-8,13-16,18H,9-12,17H2,1-2H3,(H,34,35)(H,36,42) | 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 | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399366
(CHEMBL2178278)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(Br)c(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H25BrF3N9O/c1-39-6-8-40(9-7-39)15-18-2-4-21(12-22(18)28(30,31)32)35-27(42)17-3-5-23(29)25(11-17)41-16-24(36-38-41)19-10-20-14-34-37-26(20)33-13-19/h2-5,10-14,16H,6-9,15H2,1H3,(H,35,42)(H,33,34,37) | 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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399381
(CHEMBL2177647)Show SMILES Cc1ccc(cc1-n1cc(nn1)-c1cnc2[nH]ncc2c1)C(=O)Nc1ccc(CN2CCCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C28H25F3N8O/c1-17-4-5-18(11-25(17)39-16-24(35-37-39)20-10-21-14-33-36-26(21)32-13-20)27(40)34-22-7-6-19(15-38-8-2-3-9-38)23(12-22)28(29,30)31/h4-7,10-14,16H,2-3,8-9,15H2,1H3,(H,34,40)(H,32,33,36) | 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 | 0.720 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50425787
(CHEMBL2316869)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4[nH]nc(C)c4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H29F3N6O/c1-19-4-6-23(15-22(19)7-5-21-14-26-20(2)36-37-28(26)34-17-21)29(40)35-25-9-8-24(27(16-25)30(31,32)33)18-39-12-10-38(3)11-13-39/h4,6,8-9,14-17H,10-13,18H2,1-3H3,(H,35,40)(H,34,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of human recombinant wild type ABL1 expressed in insect cells after 30 mins by FRET assay |
J Med Chem 56: 879-94 (2013)
Article DOI: 10.1021/jm301581y BindingDB Entry DOI: 10.7270/Q2V40WH7 |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399395
(CHEMBL2177633)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc(N)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H28F3N9O/c1-17-3-4-18(11-24(17)39-16-23(35-36-39)20-13-32-26(31)33-14-20)25(40)34-21-6-5-19(22(12-21)27(28,29)30)15-38-9-7-37(2)8-10-38/h3-6,11-14,16H,7-10,15H2,1-2H3,(H,34,40)(H2,31,32,33) | 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 | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50425788
(CHEMBL2316586)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(Cl)c(c3)C#Cc3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H24ClF3N6O/c1-37-8-10-38(11-9-37)17-21-4-6-23(14-24(21)28(30,31)32)35-27(39)20-5-7-25(29)19(13-20)3-2-18-12-22-16-34-36-26(22)33-15-18/h4-7,12-16H,8-11,17H2,1H3,(H,35,39)(H,33,34,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.830 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of human recombinant wild type ABL1 expressed in insect cells after 30 mins by FRET assay |
J Med Chem 56: 879-94 (2013)
Article DOI: 10.1021/jm301581y BindingDB Entry DOI: 10.7270/Q2V40WH7 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50425786
(CHEMBL2316870)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4[nH]nc(C5CC5)c4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C32H31F3N6O/c1-20-3-5-24(16-23(20)6-4-21-15-27-29(22-7-8-22)38-39-30(27)36-18-21)31(42)37-26-10-9-25(28(17-26)32(33,34)35)19-41-13-11-40(2)12-14-41/h3,5,9-10,15-18,22H,7-8,11-14,19H2,1-2H3,(H,37,42)(H,36,38,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.840 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of human recombinant wild type ABL1 expressed in insect cells after 30 mins by FRET assay |
J Med Chem 56: 879-94 (2013)
Article DOI: 10.1021/jm301581y BindingDB Entry DOI: 10.7270/Q2V40WH7 |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399365
(CHEMBL2178279)Show SMILES CCc1ccc(cc1-n1cc(nn1)-c1cnc2[nH]ncc2c1)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C30H30F3N9O/c1-3-19-4-5-20(13-27(19)42-18-26(37-39-42)22-12-23-16-35-38-28(23)34-15-22)29(43)36-24-7-6-21(25(14-24)30(31,32)33)17-41-10-8-40(2)9-11-41/h4-7,12-16,18H,3,8-11,17H2,1-2H3,(H,36,43)(H,34,35,38) | 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 | 0.980 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399369
(CHEMBL2178275)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-n3cc(nn3)-c3cnc4[nH]ncc4c3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H26F3N9O/c1-38-7-9-39(10-8-38)16-19-5-6-22(13-24(19)28(29,30)31)34-27(41)18-3-2-4-23(12-18)40-17-25(35-37-40)20-11-21-15-33-36-26(21)32-14-20/h2-6,11-15,17H,7-10,16H2,1H3,(H,34,41)(H,32,33,36) | 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 | 1.01 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399392
(CHEMBL2177636)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-n3cc(nn3)-c3cnc(NC4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H32F3N9O/c1-19-3-4-20(13-27(19)42-18-26(38-39-42)22-15-34-29(35-16-22)37-23-7-8-23)28(43)36-24-6-5-21(25(14-24)30(31,32)33)17-41-11-9-40(2)10-12-41/h3-6,13-16,18,23H,7-12,17H2,1-2H3,(H,36,43)(H,34,35,37) | 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 | 1.01 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399371
(CHEMBL2178273)Show SMILES Cc1ccc(cc1-n1cc(nn1)-c1cnc2[nH]ncc2c1)C(=O)Nc1cc(cc(c1)C(F)(F)F)-n1cncn1 Show InChI InChI=1S/C25H17F3N10O/c1-14-2-3-15(5-22(14)37-11-21(34-36-37)16-4-17-10-31-35-23(17)30-9-16)24(39)33-19-6-18(25(26,27)28)7-20(8-19)38-13-29-12-32-38/h2-13H,1H3,(H,33,39)(H,30,31,35) | 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 | 1.03 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399393
(CHEMBL2177635)Show SMILES CCNc1ncc(cn1)-c1cn(nn1)-c1cc(ccc1C)C(=O)Nc1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C29H32F3N9O/c1-4-33-28-34-15-22(16-35-28)25-18-41(38-37-25)26-13-20(6-5-19(26)2)27(42)36-23-8-7-21(24(14-23)29(30,31)32)17-40-11-9-39(3)10-12-40/h5-8,13-16,18H,4,9-12,17H2,1-3H3,(H,36,42)(H,33,34,35) | 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 | 1.18 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human)) | BDBM27566
(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human full-length PARP-2 using biotinylated substrate |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00735 BindingDB Entry DOI: 10.7270/Q2BC43DN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50323777
(CHEMBL1214141 | N-(4-Methyl-3-(1-methyl-7-(6-methy...)Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C28H24F3N7O2/c1-16-7-9-21(34-25(39)18-5-4-6-20(11-18)28(29,30)31)12-23(16)38-15-19-13-33-26(36-24(19)37(3)27(38)40)35-22-10-8-17(2)32-14-22/h4-14H,15H2,1-3H3,(H,34,39)(H,33,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of wild type Bcr-Abl |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50323777
(CHEMBL1214141 | N-(4-Methyl-3-(1-methyl-7-(6-methy...)Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C28H24F3N7O2/c1-16-7-9-21(34-25(39)18-5-4-6-20(11-18)28(29,30)31)12-23(16)38-15-19-13-33-26(36-24(19)37(3)27(38)40)35-22-10-8-17(2)32-14-22/h4-14H,15H2,1-3H3,(H,34,39)(H,33,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50399377
(CHEMBL2178267)Show SMILES Cc1ccc(cc1-n1cc(nn1)-c1cnc2[nH]ncc2c1)C(=O)Nc1ccc(CN2CCOCC2)c(c1)C(F)(F)F Show InChI InChI=1S/C28H25F3N8O2/c1-17-2-3-18(11-25(17)39-16-24(35-37-39)20-10-21-14-33-36-26(21)32-13-20)27(40)34-22-5-4-19(23(12-22)28(29,30)31)15-38-6-8-41-9-7-38/h2-5,10-14,16H,6-9,15H2,1H3,(H,34,40)(H,32,33,36) | 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 | 1.42 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of wild type Bcr-Abl using Tyr2 peptide as substrate after 2 hrs by FRET-based Z'-Lyte assay |
J Med Chem 55: 10033-46 (2012)
Article DOI: 10.1021/jm301188x BindingDB Entry DOI: 10.7270/Q2N29Z23 |
More data for this Ligand-Target Pair | |