Found 14 hits with Last Name = 'leverett' and Initial = 'ca' 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 |
|---|
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50443101
(Cariprazine | RGH-188)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(-.77,5.69,;.57,4.92,;1.9,5.69,;.57,3.38,;-.77,2.61,;1.9,2.61,;1.9,1.07,;3.23,.3,;3.23,-1.24,;1.9,-2.01,;1.9,-3.55,;3.23,-4.32,;3.23,-5.86,;4.57,-6.63,;4.57,-8.17,;3.23,-8.94,;1.9,-8.17,;1.9,-6.63,;3.23,-10.48,;4.57,-11.25,;4.57,-12.79,;3.23,-13.56,;1.9,-12.79,;.57,-13.56,;1.9,-11.25,;.57,-10.48,;.57,-1.24,;.57,.3,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17- | PDB
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| Article
PubMed
| 0.0850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]Spiperone from dopamine D3 receptor (unknown origin) |
J Med Chem 60: 6480-6515 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00010
BindingDB Entry DOI: 10.7270/Q2PK0JDP |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50443101
(Cariprazine | RGH-188)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(-.77,5.69,;.57,4.92,;1.9,5.69,;.57,3.38,;-.77,2.61,;1.9,2.61,;1.9,1.07,;3.23,.3,;3.23,-1.24,;1.9,-2.01,;1.9,-3.55,;3.23,-4.32,;3.23,-5.86,;4.57,-6.63,;4.57,-8.17,;3.23,-8.94,;1.9,-8.17,;1.9,-6.63,;3.23,-10.48,;4.57,-11.25,;4.57,-12.79,;3.23,-13.56,;1.9,-12.79,;.57,-13.56,;1.9,-11.25,;.57,-10.48,;.57,-1.24,;.57,.3,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17- | PDB
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| DrugBank
Article
PubMed
| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]Spiperone from human dopamine D2L receptor expressed in CHO cells |
J Med Chem 60: 6480-6515 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00010
BindingDB Entry DOI: 10.7270/Q2PK0JDP |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50443101
(Cariprazine | RGH-188)Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(-.77,5.69,;.57,4.92,;1.9,5.69,;.57,3.38,;-.77,2.61,;1.9,2.61,;1.9,1.07,;3.23,.3,;3.23,-1.24,;1.9,-2.01,;1.9,-3.55,;3.23,-4.32,;3.23,-5.86,;4.57,-6.63,;4.57,-8.17,;3.23,-8.94,;1.9,-8.17,;1.9,-6.63,;3.23,-10.48,;4.57,-11.25,;4.57,-12.79,;3.23,-13.56,;1.9,-12.79,;.57,-13.56,;1.9,-11.25,;.57,-10.48,;.57,-1.24,;.57,.3,)| Show InChI InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17- | PDB
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| DrugBank
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
Displacement of [3H]Spiperone from human D2S receptor expressed in CHO cells |
J Med Chem 60: 6480-6515 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00010
BindingDB Entry DOI: 10.7270/Q2PK0JDP |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50315426
((1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4...)Show SMILES CCOc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2C)cc1 |r| Show InChI InChI=1S/C23H30O6S/c1-4-29-16-7-5-14(6-8-16)10-15-11-17(18(28-3)9-13(15)2)23-22(27)21(26)20(25)19(12-24)30-23/h5-9,11,19-27H,4,10,12H2,1-3H3/t19-,20-,21+,22-,23+/m1/s1 | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Competitive inhibition of human SGLT2 expressed in CHO-K1 cells assessed as inhibition of [14C]-alpha-methylglucoside uptake |
Bioorg Med Chem 24: 1937-80 (2016)
Article DOI: 10.1016/j.bmc.2016.03.004
BindingDB Entry DOI: 10.7270/Q22B90WR |
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 2
(Homo sapiens (Human)) | BDBM50559516
(GSK-189075 | GSK-189075A | GSK189075A | Remogliflo...)Show SMILES [H][C@]1(COC(=O)OCC)O[C@@]([H])(Oc2nn(C(C)C)c(C)c2Cc2ccc(OC(C)C)cc2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O |r| | PDB
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| | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist potency against adenosine A2B receptor of guinea pig thoracic aortic smooth muscle |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Sodium/glucose cotransporter 1
(Homo sapiens (Human)) | BDBM50559516
(GSK-189075 | GSK-189075A | GSK189075A | Remogliflo...)Show SMILES [H][C@]1(COC(=O)OCC)O[C@@]([H])(Oc2nn(C(C)C)c(C)c2Cc2ccc(OC(C)C)cc2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O |r| | PDB
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| | 4.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Antagonist potency at cloned recombinant human adenosine A2B receptor transfected in CHO cells by cAMP assay |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50152828
(Apatinib | YN-968D1)Show SMILES CS(O)(=O)=O.O=C(Nc1ccc(cc1)C1(CCCC1)C#N)c1cccnc1NCc1ccncc1 Show InChI InChI=1S/C24H23N5O.CH4O3S/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)29-23(30)21-4-3-13-27-22(21)28-16-18-9-14-26-15-10-18;1-5(2,3)4/h3-10,13-15H,1-2,11-12,16H2,(H,27,28)(H,29,30);1H3,(H,2,3,4) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of VEGF2 receptor (unknown origin) by ELISA |
Bioorg Med Chem 24: 1937-80 (2016)
Article DOI: 10.1016/j.bmc.2016.03.004
BindingDB Entry DOI: 10.7270/Q22B90WR |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM50335784
(2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...)Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O |r| Show InChI InChI=1S/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/m1/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 using Gly-Pro-7-amido-4-methyl-coumarin as substrate incubated for 15 mins by fluorescence assay |
J Med Chem 60: 6480-6515 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00010
BindingDB Entry DOI: 10.7270/Q2PK0JDP |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase BTK
(Homo sapiens (Human)) | BDBM50175583
(ACP-196 | Acalabrutinib | US10239883, Example 6 | ...)Show SMILES [H][C@]1(CCCN1C(=O)C#CC)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C26H23N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m0/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Seattle Genetics, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BTK (unknown origin) |
J Med Chem 62: 7340-7382 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00196
BindingDB Entry DOI: 10.7270/Q2SX6HK5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM16285
(2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...)Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O |r| Show InChI InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1 | PDB
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| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DPP4 using Gly-Pro-7-amido-4-methyl-coumarin as substrate incubated for 15 mins by fluorescence assay |
J Med Chem 60: 6480-6515 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00010
BindingDB Entry DOI: 10.7270/Q2PK0JDP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50152829
(CHEMBL3780740)Show SMILES OS(O)(=O)=O.COc1ccc(Oc2cc(ncn2)N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)cc1 Show InChI InChI=1S/C24H24N4O5S.H2O4S/c1-28(21-14-22(26-15-25-21)33-19-9-7-17(31-2)8-10-19)11-12-32-18-5-3-16(4-6-18)13-20-23(29)27-24(30)34-20;1-5(2,3)4/h3-10,14-15,20H,11-13H2,1-2H3,(H,27,29,30);(H2,1,2,3,4) | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
Agonist activity at PPAR-gamma receptor (unknown origin) |
Bioorg Med Chem 24: 1937-80 (2016)
Article DOI: 10.1016/j.bmc.2016.03.004
BindingDB Entry DOI: 10.7270/Q22B90WR |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Mus musculus (Mouse)) | BDBM50293282
(CHEMBL504535 | Imrecoxib)Show SMILES CCCN1CC(=C(C1=O)c1ccc(C)cc1)c1ccc(cc1)S(C)(=O)=O |c:5| Show InChI InChI=1S/C21H23NO3S/c1-4-13-22-14-19(16-9-11-18(12-10-16)26(3,24)25)20(21(22)23)17-7-5-15(2)6-8-17/h5-12H,4,13-14H2,1-3H3 | PDB
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| Article
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
PharmaPhase Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of LPS-induced COX-2 in peritoneal macrophage of C57BL/J6 mouse assessed as prostaglandin E2 formation preincubated for 1 hr followed by L... |
Bioorg Med Chem 22: 2005-32 (2014)
Article DOI: 10.1016/j.bmc.2014.02.017
BindingDB Entry DOI: 10.7270/Q2WS8VS9 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50152829
(CHEMBL3780740)Show SMILES OS(O)(=O)=O.COc1ccc(Oc2cc(ncn2)N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)cc1 Show InChI InChI=1S/C24H24N4O5S.H2O4S/c1-28(21-14-22(26-15-25-21)33-19-9-7-17(31-2)8-10-19)11-12-32-18-5-3-16(4-6-18)13-20-23(29)27-24(30)34-20;1-5(2,3)4/h3-10,14-15,20H,11-13H2,1-2H3,(H,27,29,30);(H2,1,2,3,4) | PDB
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| CHEMBL
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at PPAR-alpha receptor (unknown origin) |
Bioorg Med Chem 24: 1937-80 (2016)
Article DOI: 10.1016/j.bmc.2016.03.004
BindingDB Entry DOI: 10.7270/Q22B90WR |
More data for this
Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Mus musculus) | BDBM50293282
(CHEMBL504535 | Imrecoxib)Show SMILES CCCN1CC(=C(C1=O)c1ccc(C)cc1)c1ccc(cc1)S(C)(=O)=O |c:5| Show InChI InChI=1S/C21H23NO3S/c1-4-13-22-14-19(16-9-11-18(12-10-16)26(3,24)25)20(21(22)23)17-7-5-15(2)6-8-17/h5-12H,4,13-14H2,1-3H3 | PDB
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| n/a | n/a | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
PharmaPhase Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of calcimycin-induced COX-1 in peritoneal macrophage of C57BL/J6 mouse assessed as 6-Keto prostaglandin F1alpha formation preincubated for... |
Bioorg Med Chem 22: 2005-32 (2014)
Article DOI: 10.1016/j.bmc.2014.02.017
BindingDB Entry DOI: 10.7270/Q2WS8VS9 |
More data for this
Ligand-Target Pair | |
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