Found 93 hits with Last Name = 'zheng' and Initial = 'a' 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 |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50250892
(CHEMBL4061254 | US10696655, Example 63 | US1116807...)Show SMILES CNC(=O)c1c[nH]c2c(nc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F)C(C)C Show InChI InChI=1S/C26H28F2N6O/c1-14(2)23-24-18(20(12-30-24)26(35)29-3)10-22(32-23)34-7-5-6-15-8-17(16-11-31-33(4)13-16)19(25(27)28)9-21(15)34/h8-14,25,30H,5-7H2,1-4H3,(H,29,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50131550
((3S)-3-{[(1S)-1-carbamoyl-2-{4-[difluoro(phosphono...)Show SMILES NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r| Show InChI InChI=1S/C23H25F4N3O11P2/c24-22(25,42(36,37)38)14-5-1-12(2-6-14)9-16(20(28)34)30-21(35)17(11-19(32)33)29-18(31)10-13-3-7-15(8-4-13)23(26,27)43(39,40)41/h1-8,16-17H,9-11H2,(H2,28,34)(H,29,31)(H,30,35)(H,32,33)(H2,36,37,38)(H2,39,40,41)/t16-,17-/m0/s1 | 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 | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of PTP1B (unknown origin) |
Eur J Med Chem 122: 756-769 (2016)
Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D |
More data for this Ligand-Target Pair | 3D Structure (docked) |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50250880
(CHEMBL4068116)Show SMILES C[C@@H]1CC(=O)Nc2cccc(N3CCCc4cc(-c5cnn(C)c5)c(cc34)C(F)F)c2N1 |r| Show InChI InChI=1S/C24H25F2N5O/c1-14-9-22(32)29-19-6-3-7-20(23(19)28-14)31-8-4-5-15-10-17(16-12-27-30(2)13-16)18(24(25)26)11-21(15)31/h3,6-7,10-14,24,28H,4-5,8-9H2,1-2H3,(H,29,32)/t14-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50250911
(CHEMBL4095153 | US10696655, Example 45 | US1116807...)Show SMILES Cn1cc(cn1)-c1cc2CCCN(c3cc(N4CCOCC4)c4n(C)c(=O)n(C)c4c3)c2cc1C(F)F Show InChI InChI=1S/C27H30F2N6O2/c1-31-16-18(15-30-31)20-11-17-5-4-6-35(22(17)14-21(20)26(28)29)19-12-23-25(33(3)27(36)32(23)2)24(13-19)34-7-9-37-10-8-34/h11-16,26H,4-10H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50308854
(CHEMBL590235 | [7-(4-{1-Benzotriazol-1-yl-2-[4-(di...)Show SMILES COC(CC(C)C)c1ccc2ccc(-c3ccc(cc3)C(Cc3ccc(cc3)C(F)(F)P(O)(O)=O)(c3ccccc3)n3nnc4ccccc34)c(c2n1)P(O)(O)=O Show InChI InChI=1S/C42H40F2N4O7P2/c1-27(2)25-38(55-3)36-24-18-30-17-23-34(40(39(30)45-36)56(49,50)51)29-15-21-32(22-16-29)41(31-9-5-4-6-10-31,48-37-12-8-7-11-35(37)46-47-48)26-28-13-19-33(20-14-28)42(43,44)57(52,53)54/h4-24,27,38H,25-26H2,1-3H3,(H2,49,50,51)(H2,52,53,54) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of PTP1B (unknown origin) |
Eur J Med Chem 122: 756-769 (2016)
Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D |
More data for this Ligand-Target Pair | 3D Structure (docked) |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50250913
(CHEMBL4073812 | US10696655, Example 67 | US1116807...)Show SMILES CNC(=O)c1c[nH]c2cnc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C23H22F2N6O/c1-26-23(32)18-10-27-19-11-28-21(8-16(18)19)31-5-3-4-13-6-15(14-9-29-30(2)12-14)17(22(24)25)7-20(13)31/h6-12,22,27H,3-5H2,1-2H3,(H,26,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50250896
(CHEMBL4065346 | US10696655, Example 52 | US1116807...)Show SMILES CNC(=O)c1c[nH]c2ccc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C24H23F2N5O/c1-27-24(32)20-12-28-21-6-5-16(9-18(20)21)31-7-3-4-14-8-17(15-11-29-30(2)13-15)19(23(25)26)10-22(14)31/h5-6,8-13,23,28H,3-4,7H2,1-2H3,(H,27,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50250909
(CHEMBL4076254 | US10696655, Example 113 | US111680...)Show SMILES CNC(=O)N1CCOc2ccc(cc2C1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C25H27F2N5O2/c1-28-25(33)31-8-9-34-23-6-5-19(10-17(23)15-31)32-7-3-4-16-11-20(18-13-29-30(2)14-18)21(24(26)27)12-22(16)32/h5-6,10-14,24H,3-4,7-9,15H2,1-2H3,(H,28,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50559060
(CHEMBL4786787)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n([C@@H]4CCN(C4)S(=O)(=O)C4CC4)c3n2)cc1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR L858R/T790M/C797S (unknown origin) using Poly (Glu, Tyr) as substrate measured after 40 mins by kinase-glo assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.111888 BindingDB Entry DOI: 10.7270/Q26T0RCS |
More data for this Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50250910
(CHEMBL4072630 | US10696655, Example 18 | US1116807...)Show SMILES Cn1cc(cn1)-c1cc2CCCN(c3ccc4n(C)c(=O)n(C)c4c3)c2cc1C(F)F Show InChI InChI=1S/C23H23F2N5O/c1-27-13-15(12-26-27)17-9-14-5-4-8-30(20(14)11-18(17)22(24)25)16-6-7-19-21(10-16)29(3)23(31)28(19)2/h6-7,9-13,22H,4-5,8H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50559059
(CHEMBL4752022)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccc(F)cc4)n([C@@H]4CCN(C4)S(=O)(=O)C4CC4)c3n2)cc1 |r| | PDB MMDB
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 |
TBA
| Assay Description Inhibition of EGFR L858R/T790M/C797S (unknown origin) using Poly (Glu, Tyr) as substrate measured after 40 mins by kinase-glo assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.111888 BindingDB Entry DOI: 10.7270/Q26T0RCS |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50086955
(4-[4''-(2-Benzyl-benzo[b]thiophen-3-yl)-3,5-dibrom...)Show SMILES OC(=O)c1ccc(cc1O)S(=O)(=O)Oc1c(Br)cc(cc1Br)-c1ccc(cc1)-c1c(Cc2ccccc2)sc2ccccc12 Show InChI InChI=1S/C34H22Br2O6S2/c35-27-17-23(18-28(36)33(27)42-44(40,41)24-14-15-25(34(38)39)29(37)19-24)21-10-12-22(13-11-21)32-26-8-4-5-9-30(26)43-31(32)16-20-6-2-1-3-7-20/h1-15,17-19,37H,16H2,(H,38,39) | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of PTP1B (unknown origin) |
Eur J Med Chem 122: 756-769 (2016)
Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D |
More data for this Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50178219
(CHEMBL3814752)Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1 |r| Show InChI InChI=1S/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50308846
(CHEMBL592245 | N-{(S)-1-(1H-Benzoimidazol-2-yl)-2-...)Show SMILES Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1N1CC(=O)NS1(=O)=O |r| Show InChI InChI=1S/C24H23N5O5S2/c1-16-13-17(11-12-22(16)29-15-23(30)28-36(29,33)34)14-21(24-25-19-9-5-6-10-20(19)26-24)27-35(31,32)18-7-3-2-4-8-18/h2-13,21,27H,14-15H2,1H3,(H,25,26)(H,28,30)/t21-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of PTP1B (unknown origin) |
Eur J Med Chem 122: 756-769 (2016)
Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D |
More data for this Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50250898
(CHEMBL4059634 | US10696655, Example 27 | US1116807...)Show SMILES CNC(=O)c1ccc2nccc(N3CCCc4cc(-c5cnn(C)c5)c(cc34)C(F)F)c2c1 Show InChI InChI=1S/C25H23F2N5O/c1-28-25(33)16-5-6-21-20(11-16)22(7-8-29-21)32-9-3-4-15-10-18(17-13-30-31(2)14-17)19(24(26)27)12-23(15)32/h5-8,10-14,24H,3-4,9H2,1-2H3,(H,28,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50250907
(CHEMBL4095016 | US10696655, Example 19 | US1116807...)Show SMILES CN1C(=O)CCc2ccc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C24H24F2N4O/c1-28-14-17(13-27-28)19-10-16-4-3-9-30(22(16)12-20(19)24(25)26)18-7-5-15-6-8-23(31)29(2)21(15)11-18/h5,7,10-14,24H,3-4,6,8-9H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50559062
(CHEMBL4795878)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccccc4)n([C@H]4CCN(C4)S(=O)(=O)C4CC4)c3n2)cc1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR L858R/T790M/C797S (unknown origin) using Poly (Glu, Tyr) as substrate measured after 40 mins by kinase-glo assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.111888 BindingDB Entry DOI: 10.7270/Q26T0RCS |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50559058
(CHEMBL4797395)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccc(F)cc4)n([C@H]4CCCN(C4)C(=O)CO)c3n2)cc1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR L858R/T790M/C797S (unknown origin) using Poly (Glu, Tyr) as substrate measured after 40 mins by kinase-glo assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.111888 BindingDB Entry DOI: 10.7270/Q26T0RCS |
More data for this Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50250905
(CHEMBL4097991 | US10696655, Example 17 | US1116807...)Show SMILES CC(=O)N1CCc2c(C1)cc(N1CCCc3cc(-c4cnn(C)c4)c(cc13)C(F)F)c(=O)n2C Show InChI InChI=1S/C25H27F2N5O2/c1-15(33)31-8-6-21-17(14-31)10-23(25(34)30(21)3)32-7-4-5-16-9-19(18-12-28-29(2)13-18)20(24(26)27)11-22(16)32/h9-13,24H,4-8,14H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50250891
(CHEMBL4064118 | US11168070, Example 81)Show SMILES C[C@H]1Nc2c(NC1=O)cccc2N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F |r| Show InChI InChI=1S/C23H23F2N5O/c1-13-23(31)28-18-6-3-7-19(21(18)27-13)30-8-4-5-14-9-16(15-11-26-29(2)12-15)17(22(24)25)10-20(14)30/h3,6-7,9-13,22,27H,4-5,8H2,1-2H3,(H,28,31)/t13-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50250897
(CHEMBL4081585 | US10696655, Example 21 | US1116807...)Show SMILES Cn1cc(cn1)-c1cc2CCCN(c3ccc4sc(=O)n(C)c4c3)c2cc1C(F)F Show InChI InChI=1S/C22H20F2N4OS/c1-26-12-14(11-25-26)16-8-13-4-3-7-28(18(13)10-17(16)21(23)24)15-5-6-20-19(9-15)27(2)22(29)30-20/h5-6,8-12,21H,3-4,7H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50029668
(AZD-9291 | Osimertinib | US10085983, Compound AZD-...)Show SMILES COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12 Show InChI InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR L858R/T790M/C797S (unknown origin) using Poly (Glu, Tyr) as substrate measured after 40 mins by kinase-glo assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.111888 BindingDB Entry DOI: 10.7270/Q26T0RCS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50250908
(CHEMBL4068063 | US10696655, Example 123 | US111680...)Show SMILES CNC(=O)Nc1cc(OC)cc(n1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C22H24F2N6O2/c1-25-22(31)28-19-8-15(32-3)9-20(27-19)30-6-4-5-13-7-16(14-11-26-29(2)12-14)17(21(23)24)10-18(13)30/h7-12,21H,4-6H2,1-3H3,(H2,25,27,28,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50559063
(CHEMBL4780903)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3nc(Nc4ccc(F)cc4)n([C@H]4CCN(C4)C(=O)OC(C)(C)C)c3n2)cc1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 122 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR L858R/T790M/C797S (unknown origin) using Poly (Glu, Tyr) as substrate measured after 40 mins by kinase-glo assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.111888 BindingDB Entry DOI: 10.7270/Q26T0RCS |
More data for this Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM55714
(3-[(3-carbethoxy-6-carbomethoxy-4-quinolyl)amino]b...)Show SMILES CCOC(=O)c1cnc2ccc(cc2c1Nc1cccc(c1)C(O)=O)C(=O)OC Show InChI InChI=1S/C21H18N2O6/c1-3-29-21(27)16-11-22-17-8-7-13(20(26)28-2)10-15(17)18(16)23-14-6-4-5-12(9-14)19(24)25/h4-11H,3H2,1-2H3,(H,22,23)(H,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50201800
(CHEMBL3901092)Show SMILES O=C1CC(c2ccc(CC(Nc3nc4ccccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 Show InChI InChI=1S/C25H21N5O3S2/c31-23-14-22(35(32,33)30-23)16-11-9-15(10-12-16)13-20(24-26-17-5-1-2-6-18(17)27-24)29-25-28-19-7-3-4-8-21(19)34-25/h1-12,20,22H,13-14H2,(H,26,27)(H,28,29)(H,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of PTP1B (unknown origin) |
Eur J Med Chem 122: 756-769 (2016)
Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50344571
(1-[5-(2-METHOXYETHYL)-4-METHYL-THIOPHEN-2-YL]SULFO...)Show SMILES CNC(=O)Nc1cc(OC)cc(NC(=O)NS(=O)(=O)c2cc(C)c(CCOC)s2)n1 Show InChI InChI=1S/C17H23N5O6S2/c1-10-7-15(29-12(10)5-6-27-3)30(25,26)22-17(24)21-14-9-11(28-4)8-13(19-14)20-16(23)18-2/h7-9H,5-6H2,1-4H3,(H4,18,19,20,21,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50209683
((R)-2-(4-(9-bromo-2,3-dimethylnaphtho[2,3-b]thioph...)Show SMILES Cc1sc2c(Br)c3ccccc3c(-c3cc(C)c(O[C@H](Cc4ccccc4)C(O)=O)c(C)c3)c2c1C Show InChI InChI=1S/C31H27BrO3S/c1-17-14-22(15-18(2)29(17)35-25(31(33)34)16-21-10-6-5-7-11-21)27-23-12-8-9-13-24(23)28(32)30-26(27)19(3)20(4)36-30/h5-15,25H,16H2,1-4H3,(H,33,34)/t25-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 384 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of PTP1B (unknown origin) |
Eur J Med Chem 122: 756-769 (2016)
Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D |
More data for this Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50151663
(CHEMBL3774655)Show SMILES CCC(=O)N1CCOc2c(C1)cc(cc2OC[C@H]1CCCN(C)C1)-c1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C27H36N2O5/c1-5-26(30)29-11-12-33-27-22(17-29)13-21(20-8-9-23(31-3)24(14-20)32-4)15-25(27)34-18-19-7-6-10-28(2)16-19/h8-9,13-15,19H,5-7,10-12,16-18H2,1-4H3/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50250890
(CHEMBL4086422 | US10696655, Example 87 | US1116807...)Show SMILES CC(=O)N1CCCc2cc(ccc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C25H26F2N4O/c1-16(32)30-9-3-5-17-11-20(7-8-23(17)30)31-10-4-6-18-12-21(19-14-28-29(2)15-19)22(25(26)27)13-24(18)31/h7-8,11-15,25H,3-6,9-10H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50250887
(CHEMBL4077375)Show SMILES CC(=O)N1CCc2c(C1)cc(-c1cccc(Cl)c1)c(=O)n2CC1CC1 Show InChI InChI=1S/C20H21ClN2O2/c1-13(24)22-8-7-19-16(12-22)10-18(15-3-2-4-17(21)9-15)20(25)23(19)11-14-5-6-14/h2-4,9-10,14H,5-8,11-12H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50559061
(CHEMBL4758107)Show SMILES CNC(=O)CN1CC[C@@H](C1)n1c(Nc2ccc(F)cc2)nc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 561 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of EGFR L858R/T790M/C797S (unknown origin) using Poly (Glu, Tyr) as substrate measured after 40 mins by kinase-glo assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.111888 BindingDB Entry DOI: 10.7270/Q26T0RCS |
More data for this Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50250895
(CHEMBL4070185)Show SMILES COc1cccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c12 |r| Show InChI InChI=1S/C23H28N4O3/c1-15-22(28)26-18-10-4-9-17(20(18)25-15)23(29)24-12-6-14-27-13-5-8-16-7-3-11-19(30-2)21(16)27/h3-4,7,9-11,15,25H,5-6,8,12-14H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 9
(Homo sapiens (Human)) | BDBM50178219
(CHEMBL3814752)Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1 |r| Show InChI InChI=1S/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Binding affinity to human BRD9 (R130 to V259) expressed in bacterial cells by BromoScan assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50250911
(CHEMBL4095153 | US10696655, Example 45 | US1116807...)Show SMILES Cn1cc(cn1)-c1cc2CCCN(c3cc(N4CCOCC4)c4n(C)c(=O)n(C)c4c3)c2cc1C(F)F Show InChI InChI=1S/C27H30F2N6O2/c1-31-16-18(15-30-31)20-11-17-5-4-6-35(22(17)14-21(20)26(28)29)19-12-23-25(33(3)27(36)32(23)2)24(13-19)34-7-9-37-10-8-34/h11-16,26H,4-10H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50250889
(CHEMBL4068984)Show SMILES CNC(=O)c1cnn2ccc(nc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C22H21F2N7O/c1-25-22(32)17-11-27-31-7-5-19(28-21(17)31)30-6-3-4-13-8-15(14-10-26-29(2)12-14)16(20(23)24)9-18(13)30/h5,7-12,20H,3-4,6H2,1-2H3,(H,25,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50250892
(CHEMBL4061254 | US10696655, Example 63 | US1116807...)Show SMILES CNC(=O)c1c[nH]c2c(nc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F)C(C)C Show InChI InChI=1S/C26H28F2N6O/c1-14(2)23-24-18(20(12-30-24)26(35)29-3)10-22(32-23)34-7-5-6-15-8-17(16-11-31-33(4)13-16)19(25(27)28)9-21(15)34/h8-14,25,30H,5-7H2,1-4H3,(H,29,35) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM50250894
(CHEMBL4097164)Show SMILES CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(F)cc3C)ccc12 Show InChI InChI=1S/C19H21FN2O3S/c1-3-19(23)22-10-4-5-14-12-16(7-8-17(14)22)21-26(24,25)18-9-6-15(20)11-13(18)2/h6-9,11-12,21H,3-5,10H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50250913
(CHEMBL4073812 | US10696655, Example 67 | US1116807...)Show SMILES CNC(=O)c1c[nH]c2cnc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C23H22F2N6O/c1-26-23(32)18-10-27-19-11-28-21(8-16(18)19)31-5-3-4-13-6-15(14-9-29-30(2)12-14)17(22(24)25)7-20(13)31/h6-12,22,27H,3-5H2,1-2H3,(H,26,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50250910
(CHEMBL4072630 | US10696655, Example 18 | US1116807...)Show SMILES Cn1cc(cn1)-c1cc2CCCN(c3ccc4n(C)c(=O)n(C)c4c3)c2cc1C(F)F Show InChI InChI=1S/C23H23F2N5O/c1-27-13-15(12-26-27)17-9-14-5-4-8-30(20(14)11-18(17)22(24)25)16-6-7-19-21(10-16)29(3)23(31)28(19)2/h6-7,9-13,22H,4-5,8H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50250880
(CHEMBL4068116)Show SMILES C[C@@H]1CC(=O)Nc2cccc(N3CCCc4cc(-c5cnn(C)c5)c(cc34)C(F)F)c2N1 |r| Show InChI InChI=1S/C24H25F2N5O/c1-14-9-22(32)29-19-6-3-7-20(23(19)28-14)31-8-4-5-15-10-17(16-12-27-30(2)13-16)18(24(25)26)11-21(15)31/h3,6-7,10-14,24,28H,4-5,8-9H2,1-2H3,(H,29,32)/t14-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50250888
(CHEMBL4094232)Show InChI InChI=1S/C15H16N2O3S2/c1-10-3-8-15(21-10)22(19,20)16-12-5-6-13-11(9-12)4-7-14(18)17(13)2/h3,5-6,8-9,16H,4,7H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50250890
(CHEMBL4086422 | US10696655, Example 87 | US1116807...)Show SMILES CC(=O)N1CCCc2cc(ccc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C25H26F2N4O/c1-16(32)30-9-3-5-17-11-20(7-8-23(17)30)31-10-4-6-18-12-21(19-14-28-29(2)15-19)22(25(26)27)13-24(18)31/h7-8,11-15,25H,3-6,9-10H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50250909
(CHEMBL4076254 | US10696655, Example 113 | US111680...)Show SMILES CNC(=O)N1CCOc2ccc(cc2C1)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C25H27F2N5O2/c1-28-25(33)31-8-9-34-23-6-5-19(10-17(23)15-31)32-7-3-4-16-11-20(18-13-29-30(2)14-18)21(24(26)27)12-22(16)32/h5-6,10-14,24H,3-4,7-9,15H2,1-2H3,(H,28,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50201806
(CHEMBL3905288)Show SMILES Cc1cc(I)cc2C3C=CCC3C(Nc12)c1cccc(N)c1 |c:8| Show InChI InChI=1S/C19H19IN2/c1-11-8-13(20)10-17-15-6-3-7-16(15)19(22-18(11)17)12-4-2-5-14(21)9-12/h2-6,8-10,15-16,19,22H,7,21H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of PTP1B (unknown origin) |
Eur J Med Chem 122: 756-769 (2016)
Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D |
More data for this Ligand-Target Pair | |
Chromatin remodeling regulator CECR2
(Homo sapiens (Human)) | BDBM50178219
(CHEMBL3814752)Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1 |r| Show InChI InChI=1S/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/m1/s1 | PDB
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UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant CECR2 (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50308851
((S)-2-(4-(2-acetamido-3-(4-(3-hydroxy-2-(methoxyca...)Show SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(O)c1)NC(C)=O |r| Show InChI InChI=1S/C25H30N2O10/c1-15(28)27-17(12-16-8-9-20(19(30)13-16)37-14-22(31)32)24(33)26-10-3-4-11-36-21-7-5-6-18(29)23(21)25(34)35-2/h5-9,13,17,29-30H,3-4,10-12,14H2,1-2H3,(H,26,33)(H,27,28)(H,31,32)/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition of PTP1B (unknown origin) |
Eur J Med Chem 122: 756-769 (2016)
Article DOI: 10.1016/j.ejmech.2016.05.060 BindingDB Entry DOI: 10.7270/Q25Q4Z2D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50178219
(CHEMBL3814752)Show SMILES C[C@@H]1CC(=O)Nc2cccc(-c3ccc4n(C)nc(-c5cnn(C)c5)c4c3)c2N1 |r| Show InChI InChI=1S/C22H22N6O/c1-13-9-20(29)25-18-6-4-5-16(22(18)24-13)14-7-8-19-17(10-14)21(26-28(19)3)15-11-23-27(2)12-15/h4-8,10-13,24H,9H2,1-3H3,(H,25,29)/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50250896
(CHEMBL4065346 | US10696655, Example 52 | US1116807...)Show SMILES CNC(=O)c1c[nH]c2ccc(cc12)N1CCCc2cc(-c3cnn(C)c3)c(cc12)C(F)F Show InChI InChI=1S/C24H23F2N5O/c1-27-24(32)20-12-28-21-6-5-16(9-18(20)21)31-7-3-4-14-8-17(15-11-29-30(2)13-15)19(23(25)26)10-22(14)31/h5-6,8-13,23,28H,3-4,7H2,1-2H3,(H,27,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |
Bromodomain-containing protein 4
(Homo sapiens (Human)) | BDBM50250895
(CHEMBL4070185)Show SMILES COc1cccc2CCCN(CCCNC(=O)c3cccc4NC(=O)[C@@H](C)Nc34)c12 |r| Show InChI InChI=1S/C23H28N4O3/c1-15-22(28)26-18-10-4-9-17(20(18)25-15)23(29)24-12-6-14-27-13-5-8-16-7-3-11-19(30-2)21(16)27/h3-4,7,9-11,15,25H,5-6,8,12-14H2,1-2H3,(H,24,29)(H,26,28)/t15-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay |
J Med Chem 60: 10151-10171 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 |
More data for this Ligand-Target Pair | |