Found 677 hits with Last Name = 'ohren' 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 |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50347563
 (CHEMBL1801740)Show SMILES CCc1nc2c(C)cc(CC(C)C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C29H31N7/c1-5-26-31-27-18(4)15-21(14-17(2)3)30-29(27)36(26)25-13-11-20-16-19(10-12-23(20)25)22-8-6-7-9-24(22)28-32-34-35-33-28/h6-10,12,15-17,25H,5,11,13-14H2,1-4H3,(H,32,33,34,35)/t25-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to human Angiotensin receptor 1 |
J Med Chem 54: 4219-33 (2011)
Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J |
More data for this Ligand-Target Pair | |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50347563
 (CHEMBL1801740)Show SMILES CCc1nc2c(C)cc(CC(C)C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C29H31N7/c1-5-26-31-27-18(4)15-21(14-17(2)3)30-29(27)36(26)25-13-11-20-16-19(10-12-23(20)25)22-8-6-7-9-24(22)28-32-34-35-33-28/h6-10,12,15-17,25H,5,11,13-14H2,1-4H3,(H,32,33,34,35)/t25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Binding affinity to human Angiotensin receptor 2 |
J Med Chem 54: 4219-33 (2011)
Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J |
More data for this Ligand-Target Pair | |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50043280
 (4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...)Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C Show InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting |
J Med Chem 54: 4219-33 (2011)
Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J |
More data for this Ligand-Target Pair | |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50043280
 (4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...)Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C Show InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| Purchase
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after |
Bioorg Med Chem Lett 23: 767-72 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase receptor TYRO3
(Homo sapiens (Human)) | BDBM50425862
 (CHEMBL2312654)Show SMILES CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cc(C)no1 |(9.04,-43.08,;10.39,-42.35,;11.7,-43.16,;10.44,-40.81,;9.13,-40,;9.18,-38.46,;10.53,-37.74,;11.85,-38.53,;11.8,-40.08,;10.57,-36.2,;9.81,-34.87,;8.27,-34.86,;7.51,-33.53,;5.96,-33.52,;5.2,-32.19,;5.97,-30.85,;5.21,-29.52,;5.98,-28.19,;3.67,-29.52,;2.89,-30.86,;1.35,-30.86,;3.66,-32.19,;8.27,-32.2,;9.8,-32.19,;10.58,-33.53,;12.11,-33.53,;12.6,-34.99,;14.14,-34.99,;15.06,-36.23,;14.61,-33.52,;13.35,-32.62,)| Show InChI InChI=1S/C22H26Cl2N6O/c1-13-8-20(31-29-13)19-12-25-22(27-17-10-14(23)9-15(24)11-17)28-21(19)26-16-4-6-18(7-5-16)30(2)3/h8-12,16,18H,4-7H2,1-3H3,(H2,25,26,27,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Sky (unknown origin) by ELISA kinase assay in presence of 60 uM ATP |
Bioorg Med Chem Lett 23: 1051-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.028 BindingDB Entry DOI: 10.7270/Q2XW4M38 |
More data for this Ligand-Target Pair | |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50347563
 (CHEMBL1801740)Show SMILES CCc1nc2c(C)cc(CC(C)C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C29H31N7/c1-5-26-31-27-18(4)15-21(14-17(2)3)30-29(27)36(26)25-13-11-20-16-19(10-12-23(20)25)22-8-6-7-9-24(22)28-32-34-35-33-28/h6-10,12,15-17,25H,5,11,13-14H2,1-4H3,(H,32,33,34,35)/t25-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after |
Bioorg Med Chem Lett 23: 767-72 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7 |
More data for this Ligand-Target Pair | |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50347563
 (CHEMBL1801740)Show SMILES CCc1nc2c(C)cc(CC(C)C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C29H31N7/c1-5-26-31-27-18(4)15-21(14-17(2)3)30-29(27)36(26)25-13-11-20-16-19(10-12-23(20)25)22-8-6-7-9-24(22)28-32-34-35-33-28/h6-10,12,15-17,25H,5,11,13-14H2,1-4H3,(H,32,33,34,35)/t25-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting |
J Med Chem 54: 4219-33 (2011)
Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase receptor TYRO3
(Homo sapiens (Human)) | BDBM50425864
 (CHEMBL2312649)Show SMILES CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1 |(47.36,-51.36,;48.9,-51.37,;49.67,-52.7,;49.68,-50.04,;48.92,-48.7,;49.7,-47.37,;51.23,-47.39,;52.01,-48.71,;51.22,-50.05,;52,-46.06,;51.24,-44.72,;49.7,-44.72,;48.94,-43.38,;47.4,-43.38,;46.63,-42.04,;47.41,-40.71,;46.64,-39.37,;47.41,-38.04,;45.1,-39.37,;44.33,-40.71,;42.79,-40.71,;45.1,-42.04,;49.7,-42.05,;51.24,-42.05,;52.01,-43.39,;53.55,-43.39,;54.32,-44.72,;54.32,-42.06,;55.86,-42.06,;56.62,-43.39,;58.16,-43.4,;58.94,-42.07,;60.48,-42.08,;58.17,-40.73,;56.62,-40.72,)| Show InChI InChI=1S/C25H35Cl2N7O/c1-33(2)21-6-4-18(5-7-21)29-23-22(24(35)30-19-8-10-34(3)11-9-19)15-28-25(32-23)31-20-13-16(26)12-17(27)14-20/h12-15,18-19,21H,4-11H2,1-3H3,(H,30,35)(H2,28,29,31,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Sky (unknown origin) by ELISA kinase assay in presence of 60 uM ATP |
Bioorg Med Chem Lett 23: 1051-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.028 BindingDB Entry DOI: 10.7270/Q2XW4M38 |
More data for this Ligand-Target Pair | |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50009718
 (2-Ethyl-5,7-dimethyl-3-[2'-(1H-tetrazol-5-yl)-biph...)Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H23N7/c1-4-21-26-22-15(2)13-16(3)25-24(22)31(21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)23-27-29-30-28-23/h5-13H,4,14H2,1-3H3,(H,27,28,29,30) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting |
J Med Chem 54: 4219-33 (2011)
Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor
(Homo sapiens (Human)) | BDBM33294
 (phenylpropanoic acid derivative, 17j)Show SMILES Cc1oc(nc1CCCc1ccc(C[C@@H](C(O)=O)n2nccn2)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C24H24N4O3/c1-17-21(27-23(31-17)20-7-3-2-4-8-20)9-5-6-18-10-12-19(13-11-18)16-22(24(29)30)28-25-14-15-26-28/h2-4,7-8,10-15,22H,5-6,9,16H2,1H3,(H,29,30)/t22-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| MMDB PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | 3 | n/a | 13 | n/a | n/a | 7.4 | 23 |
Pfizer
| Assay Description Human 6His-PPAR ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysine SPA ... |
Bioorg Med Chem 17: 7113-25 (2009)
Article DOI: 10.1016/j.bmc.2009.09.001 BindingDB Entry DOI: 10.7270/Q2BP0158 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Tyrosine-protein kinase receptor TYRO3
(Homo sapiens (Human)) | BDBM50425870
 (CHEMBL2311550)Show SMILES CC[C@@H](CO)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1 |r| Show InChI InChI=1S/C21H28Cl2N6O2/c1-3-15(12-30)25-19-18(20(31)26-16-4-6-29(2)7-5-16)11-24-21(28-19)27-17-9-13(22)8-14(23)10-17/h8-11,15-16,30H,3-7,12H2,1-2H3,(H,26,31)(H2,24,25,27,28)/t15-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Sky (unknown origin) by ELISA kinase assay in presence of 60 uM ATP |
Bioorg Med Chem Lett 23: 1051-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.028 BindingDB Entry DOI: 10.7270/Q2XW4M38 |
More data for this Ligand-Target Pair | |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50347564
 (CHEMBL1801741)Show SMILES CC(C)Cc1cc(C)c2nc(C(C)C)n([C@H]3CCc4cc(ccc34)-c3ccccc3-c3nnn[nH]3)c2n1 |r| Show InChI InChI=1S/C30H33N7/c1-17(2)14-22-15-19(5)27-30(31-22)37(29(32-27)18(3)4)26-13-11-21-16-20(10-12-24(21)26)23-8-6-7-9-25(23)28-33-35-36-34-28/h6-10,12,15-18,26H,11,13-14H2,1-5H3,(H,33,34,35,36)/t26-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting |
J Med Chem 54: 4219-33 (2011)
Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor
(Homo sapiens (Human)) | BDBM33293
 (phenylpropanoic acid derivative, 17i | racemic)Show SMILES Cc1oc(nc1CCCc1ccc(CC(C(O)=O)n2nccn2)cc1)-c1ccccc1 Show InChI InChI=1S/C24H24N4O3/c1-17-21(27-23(31-17)20-7-3-2-4-8-20)9-5-6-18-10-12-19(13-11-18)16-22(24(29)30)28-25-14-15-26-28/h2-4,7-8,10-15,22H,5-6,9,16H2,1H3,(H,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | 5 | n/a | 15 | n/a | n/a | 7.4 | 23 |
Pfizer
| Assay Description Human 6His-PPAR ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysine SPA ... |
Bioorg Med Chem 17: 7113-25 (2009)
Article DOI: 10.1016/j.bmc.2009.09.001 BindingDB Entry DOI: 10.7270/Q2BP0158 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50426788
 (CHEMBL2322444)Show SMILES CCc1nc2ccn(Cc3ccccc3C)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C32H29N7O/c1-3-29-33-27-16-17-38(19-23-9-5-4-8-20(23)2)32(40)30(27)39(29)28-15-13-22-18-21(12-14-25(22)28)24-10-6-7-11-26(24)31-34-36-37-35-31/h4-12,14,16-18,28H,3,13,15,19H2,1-2H3,(H,34,35,36,37)/t28-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after |
Bioorg Med Chem Lett 23: 767-72 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7 |
More data for this Ligand-Target Pair | |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50347565
 (CHEMBL1801743)Show SMILES CCc1nc2c(C)cc(Cc3ccccc3)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C32H29N7/c1-3-29-34-30-20(2)17-24(18-21-9-5-4-6-10-21)33-32(30)39(29)28-16-14-23-19-22(13-15-26(23)28)25-11-7-8-12-27(25)31-35-37-38-36-31/h4-13,15,17,19,28H,3,14,16,18H2,1-2H3,(H,35,36,37,38)/t28-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting |
J Med Chem 54: 4219-33 (2011)
Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase receptor TYRO3
(Homo sapiens (Human)) | BDBM50425871
 (CHEMBL2312651)Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@H]1CCCCNC1=O |r| Show InChI InChI=1S/C23H29Cl2N7O2/c1-32-8-5-16(6-9-32)28-21(33)18-13-27-23(29-17-11-14(24)10-15(25)12-17)31-20(18)30-19-4-2-3-7-26-22(19)34/h10-13,16,19H,2-9H2,1H3,(H,26,34)(H,28,33)(H2,27,29,30,31)/t19-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Sky (unknown origin) by ELISA kinase assay in presence of 60 uM ATP |
Bioorg Med Chem Lett 23: 1051-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.028 BindingDB Entry DOI: 10.7270/Q2XW4M38 |
More data for this Ligand-Target Pair | |
Casein kinase I isoform delta
(Homo sapiens (Human)) | BDBM50439432
 (CHEMBL2420703)Show InChI InChI=1S/C18H17FN4O/c1-23-11-15(17(22-23)12-2-4-13(19)5-3-12)14-6-7-21-16-10-20-8-9-24-18(14)16/h2-7,11,20H,8-10H2,1H3 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet 
| CHEMBL MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of CK1 delta (unknown origin) using PLSRTLpSVASLPGL as substrate after 60 mins by microplate reader analysis |
J Med Chem 56: 6819-28 (2013)
Article DOI: 10.1021/jm4006324 BindingDB Entry DOI: 10.7270/Q2125V36 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Casein kinase I isoform delta
(Homo sapiens (Human)) | BDBM50439431
 (CHEMBL2420704)Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccnc(c1)C1COCCN1 Show InChI InChI=1S/C19H19FN4O/c1-24-11-16(19(23-24)13-2-4-15(20)5-3-13)14-6-7-21-17(10-14)18-12-25-9-8-22-18/h2-7,10-11,18,22H,8-9,12H2,1H3 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet 
| CHEMBL PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of CK1 delta (unknown origin) using PLSRTLpSVASLPGL as substrate after 60 mins by microplate reader analysis |
J Med Chem 56: 6819-28 (2013)
Article DOI: 10.1021/jm4006324 BindingDB Entry DOI: 10.7270/Q2125V36 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50347566
 (CHEMBL1801738)Show SMILES CCc1nc2c(C)cc(CC)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C27H27N7/c1-4-19-14-16(3)25-27(28-19)34(24(5-2)29-25)23-13-11-18-15-17(10-12-21(18)23)20-8-6-7-9-22(20)26-30-32-33-31-26/h6-10,12,14-15,23H,4-5,11,13H2,1-3H3,(H,30,31,32,33)/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting |
J Med Chem 54: 4219-33 (2011)
Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J |
More data for this Ligand-Target Pair | |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50426777
 (CHEMBL2322175)Show SMILES CCc1nc2c(C)cn(Cc3ccccc3C)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C33H31N7O/c1-4-29-34-30-21(3)18-39(19-24-10-6-5-9-20(24)2)33(41)31(30)40(29)28-16-14-23-17-22(13-15-26(23)28)25-11-7-8-12-27(25)32-35-37-38-36-32/h5-13,15,17-18,28H,4,14,16,19H2,1-3H3,(H,35,36,37,38)/t28-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after |
Bioorg Med Chem Lett 23: 767-72 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7 |
More data for this Ligand-Target Pair | |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50426776
 (CHEMBL2322176)Show SMILES CCc1nc2c(C)cn(Cc3ccccc3C#N)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C33H28N8O/c1-3-29-35-30-20(2)18-40(19-24-9-5-4-8-23(24)17-34)33(42)31(30)41(29)28-15-13-22-16-21(12-14-26(22)28)25-10-6-7-11-27(25)32-36-38-39-37-32/h4-12,14,16,18,28H,3,13,15,19H2,1-2H3,(H,36,37,38,39)/t28-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after |
Bioorg Med Chem Lett 23: 767-72 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7 |
More data for this Ligand-Target Pair | |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50347567
 (CHEMBL1801712)Show SMILES CCc1nc2c(C)cc(C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C26H25N7/c1-4-23-28-24-15(2)13-16(3)27-26(24)33(23)22-12-10-18-14-17(9-11-20(18)22)19-7-5-6-8-21(19)25-29-31-32-30-25/h5-9,11,13-14,22H,4,10,12H2,1-3H3,(H,29,30,31,32)/t22-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting |
J Med Chem 54: 4219-33 (2011)
Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J |
More data for this Ligand-Target Pair | |
Casein kinase I isoform delta
(Homo sapiens (Human)) | BDBM50364141
 (CHEMBL1951415)Show InChI InChI=1S/C19H20FN5/c20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,21,22,24) | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet 
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of CK1 delta (unknown origin) using PLSRTLpSVASLPGL as substrate after 60 mins by microplate reader analysis |
J Med Chem 56: 6819-28 (2013)
Article DOI: 10.1021/jm4006324 BindingDB Entry DOI: 10.7270/Q2125V36 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50347568
 (CHEMBL1801735)Show SMILES Cc1cc(C)c2nc(C3CC3)n([C@H]3CCc4cc(ccc34)-c3ccccc3-c3nnn[nH]3)c2n1 |r| Show InChI InChI=1S/C27H25N7/c1-15-13-16(2)28-27-24(15)29-26(17-7-8-17)34(27)23-12-10-19-14-18(9-11-21(19)23)20-5-3-4-6-22(20)25-30-32-33-31-25/h3-6,9,11,13-14,17,23H,7-8,10,12H2,1-2H3,(H,30,31,32,33)/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting |
J Med Chem 54: 4219-33 (2011)
Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase receptor TYRO3
(Homo sapiens (Human)) | BDBM50425872
 (CHEMBL2312650)Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1NC1CCOCC1 Show InChI InChI=1S/C22H28Cl2N6O2/c1-30-6-2-16(3-7-30)27-21(31)19-13-25-22(28-18-11-14(23)10-15(24)12-18)29-20(19)26-17-4-8-32-9-5-17/h10-13,16-17H,2-9H2,1H3,(H,27,31)(H2,25,26,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Sky (unknown origin) by ELISA kinase assay in presence of 60 uM ATP |
Bioorg Med Chem Lett 23: 1051-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.028 BindingDB Entry DOI: 10.7270/Q2XW4M38 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase receptor TYRO3
(Homo sapiens (Human)) | BDBM50425863
 (CHEMBL2312652)Show SMILES CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r| Show InChI InChI=1S/C21H26Cl2N6O3/c1-29-4-2-14(3-5-29)25-20(31)16-9-24-21(26-15-7-12(22)6-13(23)8-15)28-19(16)27-17-10-32-11-18(17)30/h6-9,14,17-18,30H,2-5,10-11H2,1H3,(H,25,31)(H2,24,26,27,28)/t17-,18-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Sky (unknown origin) by ELISA kinase assay in presence of 60 uM ATP |
Bioorg Med Chem Lett 23: 1051-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.028 BindingDB Entry DOI: 10.7270/Q2XW4M38 |
More data for this Ligand-Target Pair | |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50347569
 (CHEMBL1801734)Show SMILES CC(C)c1nc2c(C)cc(C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C27H27N7/c1-15(2)26-29-24-16(3)13-17(4)28-27(24)34(26)23-12-10-19-14-18(9-11-21(19)23)20-7-5-6-8-22(20)25-30-32-33-31-25/h5-9,11,13-15,23H,10,12H2,1-4H3,(H,30,31,32,33)/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting |
J Med Chem 54: 4219-33 (2011)
Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J |
More data for this Ligand-Target Pair | |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50347570
 (CHEMBL1801744)Show SMILES CCc1nc2c(C)cc(CC(C)C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C29H31N3O2/c1-5-26-31-27-18(4)15-21(14-17(2)3)30-28(27)32(26)25-13-11-20-16-19(10-12-23(20)25)22-8-6-7-9-24(22)29(33)34/h6-10,12,15-17,25H,5,11,13-14H2,1-4H3,(H,33,34)/t25-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting |
J Med Chem 54: 4219-33 (2011)
Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J |
More data for this Ligand-Target Pair | |
Casein kinase I isoform delta
(Homo sapiens (Human)) | BDBM50439433
 (CHEMBL2420702)Show InChI InChI=1S/C17H17FN4/c1-19-10-15-9-13(7-8-20-15)16-11-22(2)21-17(16)12-3-5-14(18)6-4-12/h3-9,11,19H,10H2,1-2H3 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet 
| CHEMBL MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of CK1 delta (unknown origin) using PLSRTLpSVASLPGL as substrate after 60 mins by microplate reader analysis |
J Med Chem 56: 6819-28 (2013)
Article DOI: 10.1021/jm4006324 BindingDB Entry DOI: 10.7270/Q2125V36 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50426774
 (CHEMBL2322437)Show SMILES CCc1nc2ccn(Cc3ccccc3)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C31H27N7O/c1-2-28-32-26-16-17-37(19-20-8-4-3-5-9-20)31(39)29(26)38(28)27-15-13-22-18-21(12-14-24(22)27)23-10-6-7-11-25(23)30-33-35-36-34-30/h3-12,14,16-18,27H,2,13,15,19H2,1H3,(H,33,34,35,36)/t27-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL MMDB PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after |
Bioorg Med Chem Lett 23: 767-72 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7 |
More data for this Ligand-Target Pair | |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50347571
 (CHEMBL1801714)Show SMILES CCCc1nc2c(C)cc(C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C27H27N7/c1-4-7-24-29-25-16(2)14-17(3)28-27(25)34(24)23-13-11-19-15-18(10-12-21(19)23)20-8-5-6-9-22(20)26-30-32-33-31-26/h5-6,8-10,12,14-15,23H,4,7,11,13H2,1-3H3,(H,30,31,32,33)/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 13.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting |
J Med Chem 54: 4219-33 (2011)
Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6 (2D6)
(Homo sapiens (Human)) | BDBM50360603
 (CHEMBL1933536)Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)N1C[C@]2(CCN(C2)C2CCNC2)c2ccccc12 |r| Show InChI InChI=1S/C24H25ClN4O/c25-17-5-6-20-16(11-17)12-21(27-20)23(30)29-15-24(19-3-1-2-4-22(19)29)8-10-28(14-24)18-7-9-26-13-18/h1-6,11-12,18,26-27H,7-10,13-15H2/t18?,24-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 using dextromethorphan as substrate |
Bioorg Med Chem Lett 22: 190-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.036 BindingDB Entry DOI: 10.7270/Q2CF9QJS |
More data for this Ligand-Target Pair | |
Casein kinase I isoform delta
(Homo sapiens (Human)) | BDBM50439434
 (CHEMBL2420701)Show InChI InChI=1S/C16H14FN3O/c1-20-9-15(12-6-7-18-14(8-12)10-21)16(19-20)11-2-4-13(17)5-3-11/h2-9,21H,10H2,1H3 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of CK1 delta (unknown origin) using PLSRTLpSVASLPGL as substrate after 60 mins by microplate reader analysis |
J Med Chem 56: 6819-28 (2013)
Article DOI: 10.1021/jm4006324 BindingDB Entry DOI: 10.7270/Q2125V36 |
More data for this Ligand-Target Pair | |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50426787
 (CHEMBL2322445)Show SMILES CCc1nc2ccn(Cc3ccccc3C#N)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C32H26N8O/c1-2-29-34-27-15-16-39(19-23-8-4-3-7-22(23)18-33)32(41)30(27)40(29)28-14-12-21-17-20(11-13-25(21)28)24-9-5-6-10-26(24)31-35-37-38-36-31/h3-11,13,15-17,28H,2,12,14,19H2,1H3,(H,35,36,37,38)/t28-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after |
Bioorg Med Chem Lett 23: 767-72 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase receptor TYRO3
(Homo sapiens (Human)) | BDBM50425866
 (CHEMBL2312657)Show SMILES O[C@@H]1COC[C@H]1Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1Br |r| Show InChI InChI=1S/C14H13BrCl2N4O2/c15-10-4-18-14(19-9-2-7(16)1-8(17)3-9)21-13(10)20-11-5-23-6-12(11)22/h1-4,11-12,22H,5-6H2,(H2,18,19,20,21)/t11-,12-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Sky (unknown origin) by ELISA kinase assay in presence of 60 uM ATP |
Bioorg Med Chem Lett 23: 1051-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.028 BindingDB Entry DOI: 10.7270/Q2XW4M38 |
More data for this Ligand-Target Pair | |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50347572
 (CHEMBL1801737)Show SMILES CCc1nc2c(C)c(CC)c(C)nc2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C28H29N7/c1-5-20-16(3)26-28(29-17(20)4)35(25(6-2)30-26)24-14-12-19-15-18(11-13-22(19)24)21-9-7-8-10-23(21)27-31-33-34-32-27/h7-11,13,15,24H,5-6,12,14H2,1-4H3,(H,31,32,33,34)/t24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 15.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting |
J Med Chem 54: 4219-33 (2011)
Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J |
More data for this Ligand-Target Pair | |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50347573
 (CHEMBL1801739)Show SMILES CCc1cc(C)c2nc(C(C)C)n([C@H]3CCc4cc(ccc34)-c3ccccc3-c3nnn[nH]3)c2n1 |r| Show InChI InChI=1S/C28H29N7/c1-5-20-14-17(4)25-28(29-20)35(27(30-25)16(2)3)24-13-11-19-15-18(10-12-22(19)24)21-8-6-7-9-23(21)26-31-33-34-32-26/h6-10,12,14-16,24H,5,11,13H2,1-4H3,(H,31,32,33,34)/t24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 16.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting |
J Med Chem 54: 4219-33 (2011)
Article DOI: 10.1021/jm200409s BindingDB Entry DOI: 10.7270/Q2SB463J |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase kinase 4
(Homo sapiens (Human)) | BDBM50425862
 (CHEMBL2312654)Show SMILES CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cc(C)no1 |(9.04,-43.08,;10.39,-42.35,;11.7,-43.16,;10.44,-40.81,;9.13,-40,;9.18,-38.46,;10.53,-37.74,;11.85,-38.53,;11.8,-40.08,;10.57,-36.2,;9.81,-34.87,;8.27,-34.86,;7.51,-33.53,;5.96,-33.52,;5.2,-32.19,;5.97,-30.85,;5.21,-29.52,;5.98,-28.19,;3.67,-29.52,;2.89,-30.86,;1.35,-30.86,;3.66,-32.19,;8.27,-32.2,;9.8,-32.19,;10.58,-33.53,;12.11,-33.53,;12.6,-34.99,;14.14,-34.99,;15.06,-36.23,;14.61,-33.52,;13.35,-32.62,)| Show InChI InChI=1S/C22H26Cl2N6O/c1-13-8-20(31-29-13)19-12-25-22(27-17-10-14(23)9-15(24)11-17)28-21(19)26-16-4-6-18(7-5-16)30(2)3/h8-12,16,18H,4-7H2,1-3H3,(H2,25,26,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of MAP4K4 (unknown origin) in presence of ATP |
Bioorg Med Chem Lett 23: 1051-5 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.028 BindingDB Entry DOI: 10.7270/Q2XW4M38 |
More data for this Ligand-Target Pair | |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50426770
 (CHEMBL2322441)Show SMILES CCc1nc2ccn(CC(C)C)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C28H29N7O/c1-4-25-29-23-13-14-34(16-17(2)3)28(36)26(23)35(25)24-12-10-19-15-18(9-11-21(19)24)20-7-5-6-8-22(20)27-30-32-33-31-27/h5-9,11,13-15,17,24H,4,10,12,16H2,1-3H3,(H,30,31,32,33)/t24-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after |
Bioorg Med Chem Lett 23: 767-72 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7 |
More data for this Ligand-Target Pair | |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50426772
 (CHEMBL2322439)Show SMILES CCc1nc2ccn(CC(=O)OCc3ccccc3)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C33H29N7O3/c1-2-29-34-27-16-17-39(19-30(41)43-20-21-8-4-3-5-9-21)33(42)31(27)40(29)28-15-13-23-18-22(12-14-25(23)28)24-10-6-7-11-26(24)32-35-37-38-36-32/h3-12,14,16-18,28H,2,13,15,19-20H2,1H3,(H,35,36,37,38)/t28-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after |
Bioorg Med Chem Lett 23: 767-72 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha (PPAR alpha)
(Homo sapiens (Human)) | BDBM33293
 (phenylpropanoic acid derivative, 17i | racemic)Show SMILES Cc1oc(nc1CCCc1ccc(CC(C(O)=O)n2nccn2)cc1)-c1ccccc1 Show InChI InChI=1S/C24H24N4O3/c1-17-21(27-23(31-17)20-7-3-2-4-8-20)9-5-6-18-10-12-19(13-11-18)16-22(24(29)30)28-25-14-15-26-28/h2-4,7-8,10-15,22H,5-6,9,16H2,1H3,(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet 
| PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | 24 | n/a | 182 | n/a | n/a | 7.2 | 15 |
Pfizer
| Assay Description Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al... |
Bioorg Med Chem 17: 7113-25 (2009)
Article DOI: 10.1016/j.bmc.2009.09.001 BindingDB Entry DOI: 10.7270/Q2BP0158 |
More data for this Ligand-Target Pair | |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50426773
 (CHEMBL2322438)Show SMILES CCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C28H28N8O2/c1-4-24-29-22-13-14-35(16-25(37)34(2)3)28(38)26(22)36(24)23-12-10-18-15-17(9-11-20(18)23)19-7-5-6-8-21(19)27-30-32-33-31-27/h5-9,11,13-15,23H,4,10,12,16H2,1-3H3,(H,30,31,32,33)/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after |
Bioorg Med Chem Lett 23: 767-72 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7 |
More data for this Ligand-Target Pair | |
Casein kinase I delta/epsilon
(Homo sapiens (Human)) | BDBM50439432
 (CHEMBL2420703)Show InChI InChI=1S/C18H17FN4O/c1-23-11-15(17(22-23)12-2-4-13(19)5-3-12)14-6-7-21-16-10-20-8-9-24-18(14)16/h2-7,11,20H,8-10H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet 
| CHEMBL MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of CK1 epsilon (unknown origin) using PLSRTLpSVASLPGL as substrate after 85 mins by microplate reader analysis |
J Med Chem 56: 6819-28 (2013)
Article DOI: 10.1021/jm4006324 BindingDB Entry DOI: 10.7270/Q2125V36 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Casein kinase I delta/epsilon
(Homo sapiens (Human)) | BDBM50439431
 (CHEMBL2420704)Show SMILES Cn1cc(c(n1)-c1ccc(F)cc1)-c1ccnc(c1)C1COCCN1 Show InChI InChI=1S/C19H19FN4O/c1-24-11-16(19(23-24)13-2-4-15(20)5-3-13)14-6-7-21-17(10-14)18-12-25-9-8-22-18/h2-7,10-11,18,22H,8-9,12H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of CK1 epsilon (unknown origin) using PLSRTLpSVASLPGL as substrate after 85 mins by microplate reader analysis |
J Med Chem 56: 6819-28 (2013)
Article DOI: 10.1021/jm4006324 BindingDB Entry DOI: 10.7270/Q2125V36 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Casein kinase I delta/epsilon
(Homo sapiens (Human)) | BDBM50364141
 (CHEMBL1951415)Show InChI InChI=1S/C19H20FN5/c20-14-8-6-13(7-9-14)17-18(16-10-11-22-19(21)24-16)25(12-23-17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,21,22,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet 
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of CK1 epsilon (unknown origin) using PLSRTLpSVASLPGL as substrate after 85 mins by microplate reader analysis |
J Med Chem 56: 6819-28 (2013)
Article DOI: 10.1021/jm4006324 BindingDB Entry DOI: 10.7270/Q2125V36 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50426785
 (CHEMBL2322447)Show SMILES CCc1nc2ccn(Cc3ccccc3OC(F)(F)F)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C32H26F3N7O2/c1-2-28-36-25-15-16-41(18-21-7-3-6-10-27(21)44-32(33,34)35)31(43)29(25)42(28)26-14-12-20-17-19(11-13-23(20)26)22-8-4-5-9-24(22)30-37-39-40-38-30/h3-11,13,15-17,26H,2,12,14,18H2,1H3,(H,37,38,39,40)/t26-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after |
Bioorg Med Chem Lett 23: 767-72 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor
(Homo sapiens (Human)) | BDBM34017
 (CHEMBL104850 | phenylpropanoic acid derivative, 7)Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H24N2O4/c1-18-22(26-24(31-18)20-7-3-2-4-8-20)13-16-30-21-11-9-19(10-12-21)17-23(25(28)29)27-14-5-6-15-27/h2-12,14-15,23H,13,16-17H2,1H3,(H,28,29)/t23-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 29 | n/a | 26 | n/a | n/a | 7.4 | 23 |
Pfizer
| Assay Description Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysin... |
Bioorg Med Chem 16: 4883-907 (2008)
Article DOI: 10.1016/j.bmc.2008.03.043 BindingDB Entry DOI: 10.7270/Q2SN0797 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha (PPAR alpha)
(Homo sapiens (Human)) | BDBM33294
 (phenylpropanoic acid derivative, 17j)Show SMILES Cc1oc(nc1CCCc1ccc(C[C@@H](C(O)=O)n2nccn2)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C24H24N4O3/c1-17-21(27-23(31-17)20-7-3-2-4-8-20)9-5-6-18-10-12-19(13-11-18)16-22(24(29)30)28-25-14-15-26-28/h2-4,7-8,10-15,22H,5-6,9,16H2,1H3,(H,29,30)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet 
| MMDB PC cid PC sid PDB UniChem
Patents
| Article PubMed
| n/a | n/a | 34 | n/a | 61 | n/a | n/a | 7.2 | 15 |
Pfizer
| Assay Description Human PPAR alpha receptor was expressed as recombinant glutathione-S-transferase (GST)-fusion proteins in Escherichia coli. The purified GST-hPPAR al... |
Bioorg Med Chem 17: 7113-25 (2009)
Article DOI: 10.1016/j.bmc.2009.09.001 BindingDB Entry DOI: 10.7270/Q2BP0158 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase receptor TYRO3
(Homo sapiens (Human)) | BDBM50425842
 (CHEMBL2312292)Show SMILES COc1cc(CCNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)ccc1O Show InChI InChI=1S/C26H36N6O4/c1-36-22-16-18(9-10-21(22)33)11-13-28-26-29-17-20(24(31-26)30-19-6-2-3-7-19)25(35)27-12-5-15-32-14-4-8-23(32)34/h9-10,16-17,19,33H,2-8,11-15H2,1H3,(H,27,35)(H2,28,29,30,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of Sky (unknown origin) in presence of 60 uM ATP by ELISA |
Bioorg Med Chem Lett 23: 1046-50 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.013 BindingDB Entry DOI: 10.7270/Q26D5V9W |
More data for this Ligand-Target Pair | |
Angiotensin II receptor
(Homo sapiens (Human)) | BDBM50426783
 (CHEMBL2322449)Show SMILES CCc1nc2ccn(Cc3cccc(C)c3)c(=O)c2n1[C@H]1CCc2cc(ccc12)-c1ccccc1-c1nnn[nH]1 |r| Show InChI InChI=1S/C32H29N7O/c1-3-29-33-27-15-16-38(19-21-8-6-7-20(2)17-21)32(40)30(27)39(29)28-14-12-23-18-22(11-13-25(23)28)24-9-4-5-10-26(24)31-34-36-37-35-31/h4-11,13,15-18,28H,3,12,14,19H2,1-2H3,(H,34,35,36,37)/t28-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet 
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after |
Bioorg Med Chem Lett 23: 767-72 (2013)
Article DOI: 10.1016/j.bmcl.2012.11.088 BindingDB Entry DOI: 10.7270/Q2542PW7 |
More data for this Ligand-Target Pair | |