Found 163 hits with Last Name = 'lindquist' and Initial = 'j' 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 |
|---|
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50199118
(CHEMBL3894825)Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)OCCCCCC(=O)NO)c(F)c1 Show InChI InChI=1S/C26H24F4N4O5S/c1-25(2)23(37)33(16-8-7-15(14-31)19(12-16)26(28,29)30)24(40)34(25)17-9-10-18(20(27)13-17)22(36)39-11-5-3-4-6-21(35)32-38/h7-10,12-13,38H,3-6,11H2,1-2H3,(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50201721
(CHEMBL3964073)Show SMILES Nc1ncnc2n(nc(-c3ccc(Br)c(O)c3)c12)C1Cc2ccccc2C1 Show InChI InChI=1S/C20H16BrN5O/c21-15-6-5-13(9-16(15)27)18-17-19(22)23-10-24-20(17)26(25-18)14-7-11-3-1-2-4-12(11)8-14/h1-6,9-10,14,27H,7-8H2,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences, Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) |
Bioorg Med Chem Lett 27: 750-754 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.045
BindingDB Entry DOI: 10.7270/Q28918G5 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50201721
(CHEMBL3964073)Show SMILES Nc1ncnc2n(nc(-c3ccc(Br)c(O)c3)c12)C1Cc2ccccc2C1 Show InChI InChI=1S/C20H16BrN5O/c21-15-6-5-13(9-16(15)27)18-17-19(22)23-10-24-20(17)26(25-18)14-7-11-3-1-2-4-12(11)8-14/h1-6,9-10,14,27H,7-8H2,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences, Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) |
Bioorg Med Chem Lett 27: 750-754 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.045
BindingDB Entry DOI: 10.7270/Q28918G5 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC3 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM350085
(3-[3-[4-[dideuterio(methylamino)methyl]phenyl]isox...)Show SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C Show InChI InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences, Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant FLAG-tagged full length ATR expressed in mammalian cell line co-expressing human recombinant cMyc-tagged full length ... |
Bioorg Med Chem Lett 27: 750-754 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.045
BindingDB Entry DOI: 10.7270/Q28918G5 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50425732
(ENZALUTAMIDE | US10053433, FC 4.129 | US10806720, ...)Show SMILES CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H16F4N4O2S/c1-20(2)18(31)28(12-5-4-11(10-26)15(8-12)21(23,24)25)19(32)29(20)13-6-7-14(16(22)9-13)17(30)27-3/h4-9H,1-3H3,(H,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
UniChem
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [18F]-FDHT from androgen receptor in human LNCAP/AR cells |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50456368
(CHEMBL4216036)Show SMILES Nc1nc2CCC(Cc2s1)n1nc(-c2cc(F)c3[nH]ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C20H17FN8S/c21-12-6-10(5-9-3-4-24-16(9)12)17-15-18(22)25-8-26-19(15)29(28-17)11-1-2-13-14(7-11)30-20(23)27-13/h3-6,8,11,24H,1-2,7H2,(H2,23,27)(H2,22,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences, Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) |
Bioorg Med Chem Lett 27: 750-754 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.045
BindingDB Entry DOI: 10.7270/Q28918G5 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC1 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC2 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50199117
(CHEMBL3983635)Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCC(=O)NO)c(F)c1 Show InChI InChI=1S/C26H25F4N5O4S/c1-25(2)23(38)34(16-8-7-15(14-31)19(12-16)26(28,29)30)24(40)35(25)17-9-10-18(20(27)13-17)22(37)32-11-5-3-4-6-21(36)33-39/h7-10,12-13,39H,3-6,11H2,1-2H3,(H,32,37)(H,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50199122
(CHEMBL3926959)Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(Cn2ccc3cc(\C=C\C(=O)NO)ccc23)c(F)c1 Show InChI InChI=1S/C31H23F4N5O3S/c1-30(2)28(42)39(22-7-5-20(16-36)24(14-22)31(33,34)35)29(44)40(30)23-8-6-21(25(32)15-23)17-38-12-11-19-13-18(3-9-26(19)38)4-10-27(41)37-43/h3-15,43H,17H2,1-2H3,(H,37,41)/b10-4+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50199111
(CHEMBL3979648)Show SMILES COC(=O)CCCCCCCc1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C28H29F4N3O3S/c1-27(2)25(37)34(20-13-12-19(17-33)22(15-20)28(30,31)32)26(39)35(27)21-14-11-18(23(29)16-21)9-7-5-4-6-8-10-24(36)38-3/h11-16H,4-10H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50199115
(CHEMBL3921621)Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCn2cccc(O)c2=S)c(F)c1 Show InChI InChI=1S/C31H29F4N5O3S2/c1-30(2)28(43)39(20-10-9-19(18-36)23(16-20)31(33,34)35)29(45)40(30)21-11-12-22(24(32)17-21)26(42)37-13-5-3-4-6-14-38-15-7-8-25(41)27(38)44/h7-12,15-17,41H,3-6,13-14H2,1-2H3,(H,37,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50199116
(CHEMBL3948543)Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCC(=O)Nc2ccccc2N)c(F)c1 Show InChI InChI=1S/C33H32F4N6O3S/c1-32(2)30(46)42(21-13-12-20(19-38)24(17-21)33(35,36)37)31(47)43(32)22-14-15-23(25(34)18-22)29(45)40-16-8-4-3-5-11-28(44)41-27-10-7-6-9-26(27)39/h6-7,9-10,12-15,17-18H,3-5,8,11,16,39H2,1-2H3,(H,40,45)(H,41,44) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | <30 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50199117
(CHEMBL3983635)Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCC(=O)NO)c(F)c1 Show InChI InChI=1S/C26H25F4N5O4S/c1-25(2)23(38)34(16-8-7-15(14-31)19(12-16)26(28,29)30)24(40)35(25)17-9-10-18(20(27)13-17)22(37)32-11-5-3-4-6-21(36)33-39/h7-10,12-13,39H,3-6,11H2,1-2H3,(H,32,37)(H,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50199118
(CHEMBL3894825)Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)OCCCCCC(=O)NO)c(F)c1 Show InChI InChI=1S/C26H24F4N4O5S/c1-25(2)23(37)33(16-8-7-15(14-31)19(12-16)26(28,29)30)24(40)34(25)17-9-10-18(20(27)13-17)22(36)39-11-5-3-4-6-21(35)32-38/h7-10,12-13,38H,3-6,11H2,1-2H3,(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50456372
(CHEMBL4207014)Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(-c2cnc3[nH]ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C19H15N7O2S/c1-29(27,28)14-4-2-13(3-5-14)26-19-15(17(20)23-10-24-19)16(25-26)12-8-11-6-7-21-18(11)22-9-12/h2-10H,1H3,(H,21,22)(H2,20,23,24) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences, Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant FLAG-tagged full length ATR expressed in mammalian cell line co-expressing human recombinant cMyc-tagged full length ... |
Bioorg Med Chem Lett 27: 750-754 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.045
BindingDB Entry DOI: 10.7270/Q28918G5 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50199121
(CHEMBL3908221)Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCc2ccc(s2)C(=O)C(F)(F)F)c(F)c1 Show InChI InChI=1S/C32H27F7N4O3S2/c1-30(2)28(46)42(19-9-8-18(17-40)23(15-19)31(34,35)36)29(47)43(30)20-10-12-22(24(33)16-20)27(45)41-14-6-4-3-5-7-21-11-13-25(48-21)26(44)32(37,38)39/h8-13,15-16H,3-7,14H2,1-2H3,(H,41,45) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50199114
(CHEMBL3966165)Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCOCCC(=O)NO)c(F)c1 Show InChI InChI=1S/C25H23F4N5O5S/c1-24(2)22(37)33(15-4-3-14(13-30)18(11-15)25(27,28)29)23(40)34(24)16-5-6-17(19(26)12-16)21(36)31-8-10-39-9-7-20(35)32-38/h3-6,11-12,38H,7-10H2,1-2H3,(H,31,36)(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM103471
(BDBM50456371 | US8552004, 2.11)Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cncc2[nH]ccc12)C1(CC1)S(C)(=N)=O |r| Show InChI InChI=1S/C20H24N6O2S/c1-13-12-28-8-7-26(13)18-9-17(20(4-5-20)29(2,21)27)24-19(25-18)15-10-22-11-16-14(15)3-6-23-16/h3,6,9-11,13,23H,2,4-5,7-8,12H2,1H3,(H2,21,27)/t13-,29?/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences, Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant FLAG-tagged full length ATR expressed in mammalian cell line co-expressing human recombinant cMyc-tagged full length ... |
Bioorg Med Chem Lett 27: 750-754 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.045
BindingDB Entry DOI: 10.7270/Q28918G5 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50199123
(CHEMBL3903756)Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCNS(N)(=O)=O)c(F)c1 Show InChI InChI=1S/C26H28F4N6O4S2/c1-25(2)23(38)35(17-8-7-16(15-31)20(13-17)26(28,29)30)24(41)36(25)18-9-10-19(21(27)14-18)22(37)33-11-5-3-4-6-12-34-42(32,39)40/h7-10,13-14,34H,3-6,11-12H2,1-2H3,(H,33,37)(H2,32,39,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50456370
(CHEMBL4211185)Show SMILES Nc1ncnc2n(nc(-c3ccc(Br)c(O)c3)c12)C1CCc2ccccc12 Show InChI InChI=1S/C20H16BrN5O/c21-14-7-5-12(9-16(14)27)18-17-19(22)23-10-24-20(17)26(25-18)15-8-6-11-3-1-2-4-13(11)15/h1-5,7,9-10,15,27H,6,8H2,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences, Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) |
Bioorg Med Chem Lett 27: 750-754 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.045
BindingDB Entry DOI: 10.7270/Q28918G5 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50456370
(CHEMBL4211185)Show SMILES Nc1ncnc2n(nc(-c3ccc(Br)c(O)c3)c12)C1CCc2ccccc12 Show InChI InChI=1S/C20H16BrN5O/c21-14-7-5-12(9-16(14)27)18-17-19(22)23-10-24-20(17)26(25-18)15-8-6-11-3-1-2-4-13(11)15/h1-5,7,9-10,15,27H,6,8H2,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences, Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) |
Bioorg Med Chem Lett 27: 750-754 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.045
BindingDB Entry DOI: 10.7270/Q28918G5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50456369
(CHEMBL4207265)Show SMILES Nc1ncnc2n(nc(-c3cnc4[nH]ccc4c3)c12)C1CCc2ccccc2C1 Show InChI InChI=1S/C22H19N7/c23-20-18-19(16-9-15-7-8-24-21(15)25-11-16)28-29(22(18)27-12-26-20)17-6-5-13-3-1-2-4-14(13)10-17/h1-4,7-9,11-12,17H,5-6,10H2,(H,24,25)(H2,23,26,27) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences, Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant FLAG-tagged full length ATR expressed in mammalian cell line co-expressing human recombinant cMyc-tagged full length ... |
Bioorg Med Chem Lett 27: 750-754 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.045
BindingDB Entry DOI: 10.7270/Q28918G5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50456369
(CHEMBL4207265)Show SMILES Nc1ncnc2n(nc(-c3cnc4[nH]ccc4c3)c12)C1CCc2ccccc2C1 Show InChI InChI=1S/C22H19N7/c23-20-18-19(16-9-15-7-8-24-21(15)25-11-16)28-29(22(18)27-12-26-20)17-6-5-13-3-1-2-4-14(13)10-17/h1-4,7-9,11-12,17H,5-6,10H2,(H,24,25)(H2,23,26,27) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences, Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant FLAG-tagged full length ATR expressed in mammalian cell line co-expressing human recombinant cMyc-tagged full length ... |
Bioorg Med Chem Lett 27: 750-754 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.045
BindingDB Entry DOI: 10.7270/Q28918G5 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50199111
(CHEMBL3979648)Show SMILES COC(=O)CCCCCCCc1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C28H29F4N3O3S/c1-27(2)25(37)34(20-13-12-19(17-33)22(15-20)28(30,31)32)26(39)35(27)21-14-11-18(23(29)16-21)9-7-5-4-6-8-10-24(36)38-3/h11-16H,4-10H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50456369
(CHEMBL4207265)Show SMILES Nc1ncnc2n(nc(-c3cnc4[nH]ccc4c3)c12)C1CCc2ccccc2C1 Show InChI InChI=1S/C22H19N7/c23-20-18-19(16-9-15-7-8-24-21(15)25-11-16)28-29(22(18)27-12-26-20)17-6-5-13-3-1-2-4-14(13)10-17/h1-4,7-9,11-12,17H,5-6,10H2,(H,24,25)(H2,23,26,27) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 212 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences, Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant FLAG-tagged full length ATR expressed in mammalian cell line co-expressing human recombinant cMyc-tagged full length ... |
Bioorg Med Chem Lett 27: 750-754 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.045
BindingDB Entry DOI: 10.7270/Q28918G5 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50199119
(CHEMBL3948452)Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(\C=C\C(=O)Nc2ccccc2N)c(F)c1 Show InChI InChI=1S/C28H21F4N5O2S/c1-27(2)25(39)36(18-10-8-17(15-33)20(13-18)28(30,31)32)26(40)37(27)19-11-7-16(21(29)14-19)9-12-24(38)35-23-6-4-3-5-22(23)34/h3-14H,34H2,1-2H3,(H,35,38)/b12-9+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50199112
(CHEMBL3912767)Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCn2cccc(O)c2=O)c(F)c1 Show InChI InChI=1S/C31H29F4N5O4S/c1-30(2)28(44)39(20-10-9-19(18-36)23(16-20)31(33,34)35)29(45)40(30)21-11-12-22(24(32)17-21)26(42)37-13-5-3-4-6-14-38-15-7-8-25(41)27(38)43/h7-12,15-17,41H,3-6,13-14H2,1-2H3,(H,37,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50199116
(CHEMBL3948543)Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCC(=O)Nc2ccccc2N)c(F)c1 Show InChI InChI=1S/C33H32F4N6O3S/c1-32(2)30(46)42(21-13-12-20(19-38)24(17-21)33(35,36)37)31(47)43(32)22-14-15-23(25(34)18-22)29(45)40-16-8-4-3-5-11-28(44)41-27-10-7-6-9-26(27)39/h6-7,9-10,12-15,17-18H,3-5,8,11,16,39H2,1-2H3,(H,40,45)(H,41,44) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC3 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50456368
(CHEMBL4216036)Show SMILES Nc1nc2CCC(Cc2s1)n1nc(-c2cc(F)c3[nH]ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C20H17FN8S/c21-12-6-10(5-9-3-4-24-16(9)12)17-15-18(22)25-8-26-19(15)29(28-17)11-1-2-13-14(7-11)30-20(23)27-13/h3-6,8,11,24H,1-2,7H2,(H2,23,27)(H2,22,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 307 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences, Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) |
Bioorg Med Chem Lett 27: 750-754 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.045
BindingDB Entry DOI: 10.7270/Q28918G5 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50199113
(CHEMBL3955013)Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)Nc2ccccc2N)c(F)c1 Show InChI InChI=1S/C26H19F4N5O2S/c1-25(2)23(37)34(15-8-7-14(13-31)18(11-15)26(28,29)30)24(38)35(25)16-9-10-17(19(27)12-16)22(36)33-21-6-4-3-5-20(21)32/h3-12H,32H2,1-2H3,(H,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50199124
(CHEMBL3974665)Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCNS(N)(=O)=O)c(F)c1 Show InChI InChI=1S/C23H22F4N6O4S2/c1-22(2)20(35)32(14-5-4-13(12-28)17(10-14)23(25,26)27)21(38)33(22)15-6-7-16(18(24)11-15)19(34)30-8-3-9-31-39(29,36)37/h4-7,10-11,31H,3,8-9H2,1-2H3,(H,30,34)(H2,29,36,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50199114
(CHEMBL3966165)Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCOCCC(=O)NO)c(F)c1 Show InChI InChI=1S/C25H23F4N5O5S/c1-24(2)22(37)33(15-4-3-14(13-30)18(11-15)25(27,28)29)23(40)34(24)16-5-6-17(19(26)12-16)21(36)31-8-10-39-9-7-20(35)32-38/h3-6,11-12,38H,7-10H2,1-2H3,(H,31,36)(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 495 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50456373
(CHEMBL4207205)Show SMILES Nc1nc2CCC(Cc2s1)n1nc(-c2cnc3[nH]ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C19H17N9S/c20-16-14-15(10-5-9-3-4-22-17(9)23-7-10)27-28(18(14)25-8-24-16)11-1-2-12-13(6-11)29-19(21)26-12/h3-5,7-8,11H,1-2,6H2,(H2,21,26)(H,22,23)(H2,20,24,25) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 547 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences, Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant FLAG-tagged full length ATR expressed in mammalian cell line co-expressing human recombinant cMyc-tagged full length ... |
Bioorg Med Chem Lett 27: 750-754 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.045
BindingDB Entry DOI: 10.7270/Q28918G5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50456373
(CHEMBL4207205)Show SMILES Nc1nc2CCC(Cc2s1)n1nc(-c2cnc3[nH]ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C19H17N9S/c20-16-14-15(10-5-9-3-4-22-17(9)23-7-10)27-28(18(14)25-8-24-16)11-1-2-12-13(6-11)29-19(21)26-12/h3-5,7-8,11H,1-2,6H2,(H2,21,26)(H,22,23)(H2,20,24,25) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 547 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences, Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant FLAG-tagged full length ATR expressed in mammalian cell line co-expressing human recombinant cMyc-tagged full length ... |
Bioorg Med Chem Lett 27: 750-754 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.045
BindingDB Entry DOI: 10.7270/Q28918G5 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50199120
(CHEMBL3982650)Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCn2cccc(O)c2=O)c(F)c1 Show InChI InChI=1S/C28H23F4N5O4S/c1-27(2)25(41)36(17-7-6-16(15-33)20(13-17)28(30,31)32)26(42)37(27)18-8-9-19(21(29)14-18)23(39)34-10-4-12-35-11-3-5-22(38)24(35)40/h3,5-9,11,13-14,38H,4,10,12H2,1-2H3,(H,34,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]mibolerone from androgen receptor (unknown origin) in membranes after 24 hrs by HAP adsorption assay |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50456376
(CHEMBL4213994)Show SMILES Cn1ccc2cc(cnc12)-c1nn(C2CCc3ccccc3C2)c2ncnc(N)c12 Show InChI InChI=1S/C23H21N7/c1-29-9-8-16-10-17(12-25-22(16)29)20-19-21(24)26-13-27-23(19)30(28-20)18-7-6-14-4-2-3-5-15(14)11-18/h2-5,8-10,12-13,18H,6-7,11H2,1H3,(H2,24,26,27) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences, Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant FLAG-tagged full length ATR expressed in mammalian cell line co-expressing human recombinant cMyc-tagged full length ... |
Bioorg Med Chem Lett 27: 750-754 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.045
BindingDB Entry DOI: 10.7270/Q28918G5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50456374
(CHEMBL4210861)Show SMILES Nc1ncnc2n(nc(-c3cnc4[nH]ccc4c3)c12)C1Cc2ccccc2C1 Show InChI InChI=1S/C21H17N7/c22-19-17-18(15-7-14-5-6-23-20(14)24-10-15)27-28(21(17)26-11-25-19)16-8-12-3-1-2-4-13(12)9-16/h1-7,10-11,16H,8-9H2,(H,23,24)(H2,22,25,26) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 654 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences, Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant FLAG-tagged full length ATR expressed in mammalian cell line co-expressing human recombinant cMyc-tagged full length ... |
Bioorg Med Chem Lett 27: 750-754 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.045
BindingDB Entry DOI: 10.7270/Q28918G5 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50199118
(CHEMBL3894825)Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)OCCCCCC(=O)NO)c(F)c1 Show InChI InChI=1S/C26H24F4N4O5S/c1-25(2)23(37)33(16-8-7-15(14-31)19(12-16)26(28,29)30)24(40)34(25)17-9-10-18(20(27)13-17)22(36)39-11-5-3-4-6-21(35)32-38/h7-10,12-13,38H,3-6,11H2,1-2H3,(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC2 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50199123
(CHEMBL3903756)Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCNS(N)(=O)=O)c(F)c1 Show InChI InChI=1S/C26H28F4N6O4S2/c1-25(2)23(38)35(17-8-7-16(15-31)20(13-17)26(28,29)30)24(41)36(25)18-9-10-19(21(27)14-18)22(37)33-11-5-3-4-6-12-34-42(32,39)40/h7-10,13-14,34H,3-6,11-12H2,1-2H3,(H,33,37)(H2,32,39,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50456380
(CHEMBL4215278)Show SMILES CS(=O)(=O)N1CCC(CC1)n1nc(-c2cnc3[nH]ccc3c2)c2c(N)ncnc12 Show InChI InChI=1S/C18H20N8O2S/c1-29(27,28)25-6-3-13(4-7-25)26-18-14(16(19)22-10-23-18)15(24-26)12-8-11-2-5-20-17(11)21-9-12/h2,5,8-10,13H,3-4,6-7H2,1H3,(H,20,21)(H2,19,22,23) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences, Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant FLAG-tagged full length ATR expressed in mammalian cell line co-expressing human recombinant cMyc-tagged full length ... |
Bioorg Med Chem Lett 27: 750-754 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.045
BindingDB Entry DOI: 10.7270/Q28918G5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50313645
(1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H...)Show InChI InChI=1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences, Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant FLAG-tagged full length ATR expressed in mammalian cell line co-expressing human recombinant cMyc-tagged full length ... |
Bioorg Med Chem Lett 27: 750-754 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.045
BindingDB Entry DOI: 10.7270/Q28918G5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50456378
(CHEMBL4209086)Show SMILES Nc1ncnc2n(nc(-c3ccc4[nH]ccc4c3)c12)C1CCc2ccccc2C1 Show InChI InChI=1S/C23H20N6/c24-22-20-21(17-6-8-19-16(11-17)9-10-25-19)28-29(23(20)27-13-26-22)18-7-5-14-3-1-2-4-15(14)12-18/h1-4,6,8-11,13,18,25H,5,7,12H2,(H2,24,26,27) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences, Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant FLAG-tagged full length ATR expressed in mammalian cell line co-expressing human recombinant cMyc-tagged full length ... |
Bioorg Med Chem Lett 27: 750-754 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.045
BindingDB Entry DOI: 10.7270/Q28918G5 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50199117
(CHEMBL3983635)Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCC(=O)NO)c(F)c1 Show InChI InChI=1S/C26H25F4N5O4S/c1-25(2)23(38)34(16-8-7-15(14-31)19(12-16)26(28,29)30)24(40)35(25)17-9-10-18(20(27)13-17)22(37)32-11-5-3-4-6-21(36)33-39/h7-10,12-13,39H,3-6,11H2,1-2H3,(H,32,37)(H,33,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC3 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50456370
(CHEMBL4211185)Show SMILES Nc1ncnc2n(nc(-c3ccc(Br)c(O)c3)c12)C1CCc2ccccc12 Show InChI InChI=1S/C20H16BrN5O/c21-14-7-5-12(9-16(14)27)18-17-19(22)23-10-24-20(17)26(25-18)15-8-6-11-3-1-2-4-13(11)15/h1-5,7,9-10,15,27H,6,8H2,(H2,22,23,24) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences, Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant FLAG-tagged full length ATR expressed in mammalian cell line co-expressing human recombinant cMyc-tagged full length ... |
Bioorg Med Chem Lett 27: 750-754 (2017)
Article DOI: 10.1016/j.bmcl.2017.01.045
BindingDB Entry DOI: 10.7270/Q28918G5 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50199118
(CHEMBL3894825)Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)OCCCCCC(=O)NO)c(F)c1 Show InChI InChI=1S/C26H24F4N4O5S/c1-25(2)23(37)33(16-8-7-15(14-31)19(12-16)26(28,29)30)24(40)34(25)17-9-10-18(20(27)13-17)22(36)39-11-5-3-4-6-21(35)32-38/h7-10,12-13,38H,3-6,11H2,1-2H3,(H,32,35) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC3 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50199122
(CHEMBL3926959)Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(Cn2ccc3cc(\C=C\C(=O)NO)ccc23)c(F)c1 Show InChI InChI=1S/C31H23F4N5O3S/c1-30(2)28(42)39(22-7-5-20(16-36)24(14-22)31(33,34)35)29(44)40(30)23-8-6-21(25(32)15-23)17-38-12-11-19-13-18(3-9-26(19)38)4-10-27(41)37-43/h3-15,43H,17H2,1-2H3,(H,37,41)/b10-4+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC6 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50199117
(CHEMBL3983635)Show SMILES CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCC(=O)NO)c(F)c1 Show InChI InChI=1S/C26H25F4N5O4S/c1-25(2)23(38)34(16-8-7-15(14-31)19(12-16)26(28,29)30)24(40)35(25)17-9-10-18(20(27)13-17)22(37)32-11-5-3-4-6-21(36)33-39/h7-10,12-13,39H,3-6,11H2,1-2H3,(H,32,37)(H,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Integral BioSciences Pvt. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of HDAC2 (unknown origin) assessed as inhibition of fluorogenic peptide deacetylation |
Bioorg Med Chem Lett 26: 5222-5228 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.058
BindingDB Entry DOI: 10.7270/Q29W0HFD |
More data for this
Ligand-Target Pair | |
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