Found 3772 hits with Last Name = 'karanewsky' and Initial = 'd' 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-converting enzyme
(Oryctolagus cuniculus) | BDBM50018850
(1-(3-Mercapto-2-methyl-propionyl)-4-phenylsulfanyl...)Show SMILES C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(O)=O)Sc1ccccc1 Show InChI InChI=1S/C15H19NO3S2/c1-10(9-20)14(17)16-8-12(7-13(16)15(18)19)21-11-5-3-2-4-6-11/h2-6,10,12-13,20H,7-9H2,1H3,(H,18,19)/t10-,12+,13+/m1/s1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Inhibitory constant against rabbit lung Angiotensin I converting enzyme |
J Med Chem 31: 1148-60 (1988)
BindingDB Entry DOI: 10.7270/Q2V125DX |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50214923
((Z)-5-(4-fluoro-2-(hydroxymethyl)benzylidene)-10-m...)Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(F)cc3CO)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:24.24,32.33,c:23,t:21,30| Show InChI InChI=1S/C28H28FNO4/c1-15-13-28(2,3)30-20-8-7-19-25(24(15)20)23(12-16-5-6-18(29)11-17(16)14-31)34-22-10-9-21(32)27(33-4)26(19)22/h5-13,20,24,30-32H,14H2,1-4H3/b23-12- | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4158-62 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50334048
((-)-5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl...)Show SMILES CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2cc[nH]c12 |w:1.0| Show InChI InChI=1S/C21H23ClN2/c1-12-10-16(15-7-5-6-14-8-9-23-20(14)15)18(22)17-13(2)11-21(3,4)24-19(12)17/h5-10,13,23-24H,11H2,1-4H3 | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of radiolabeled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 18: 3504-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.029 BindingDB Entry DOI: 10.7270/Q2CR5V8F |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50334048
((-)-5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl...)Show SMILES CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2cc[nH]c12 |w:1.0| Show InChI InChI=1S/C21H23ClN2/c1-12-10-16(15-7-5-6-14-8-9-23-20(14)15)18(22)17-13(2)11-21(3,4)24-19(12)17/h5-10,13,23-24H,11H2,1-4H3 | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of radiolabeled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 18: 3504-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.029 BindingDB Entry DOI: 10.7270/Q2CR5V8F |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50214929
((Z)-5-(4-fluoro-2-((methoxymethoxy)methyl)benzylid...)Show SMILES COCOCc1cc(F)ccc1\C=C1/Oc2ccc(O)c(OC)c2C2=C1C1C(NC(C)(C)C=C1C)C=C2 |w:27.38,26.28,c:26,35,39| Show InChI InChI=1S/C30H32FNO5/c1-17-14-30(2,3)32-22-9-8-21-27(26(17)22)25(37-24-11-10-23(33)29(35-5)28(21)24)13-18-6-7-20(31)12-19(18)15-36-16-34-4/h6-14,22,26,32-33H,15-16H2,1-5H3/b25-13- | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4158-62 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50214949
((Z)-5-(2-fluorobenzylidene)-10-methoxy-2,2,4-trime...)Show SMILES COc1c(O)ccc2O\C(=C/c3ccccc3F)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28| Show InChI InChI=1S/C27H26FNO3/c1-15-14-27(2,3)29-19-10-9-17-24(23(15)19)22(13-16-7-5-6-8-18(16)28)32-21-12-11-20(30)26(31-4)25(17)21/h5-14,19,23,29-30H,1-4H3/b22-13- | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4158-62 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50135460
((2E,4E,6Z)-7-[4-(2,2-Difluoro-ethoxy)-4'-fluoro-5-...)Show SMILES CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1ccc(F)cc1 Show InChI InChI=1S/C26H27F3O3/c1-16(2)22-13-20(19-8-10-21(27)11-9-19)14-23(26(22)32-15-24(28)29)18(4)7-5-6-17(3)12-25(30)31/h5-14,16,24H,15H2,1-4H3,(H,30,31)/b6-5+,17-12+,18-7- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Binding affinity against RXR alpha receptor using [3H]-9-cis-RA as radioligand in CV-1 cells |
Bioorg Med Chem Lett 13: 4071-5 (2003)
BindingDB Entry DOI: 10.7270/Q2V987GP |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50135453
((2E,4E,6Z)-7-[2-(2,2-Difluoro-ethoxy)-3-isopropyl-...)Show SMILES CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1cccs1 Show InChI InChI=1S/C24H26F2O3S/c1-15(2)19-12-18(21-9-6-10-30-21)13-20(24(19)29-14-22(25)26)17(4)8-5-7-16(3)11-23(27)28/h5-13,15,22H,14H2,1-4H3,(H,27,28)/b7-5+,16-11+,17-8- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Binding affinity against RXR alpha receptor using [3H]-9-cis-RA as radioligand in CV-1 cells |
Bioorg Med Chem Lett 13: 4071-5 (2003)
BindingDB Entry DOI: 10.7270/Q2V987GP |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50377346
(CHEMBL403274)Show SMILES CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cc(F)cc2cc[nH]c12 |w:1.0| Show InChI InChI=1S/C21H22ClFN2/c1-11-7-15(16-9-14(23)8-13-5-6-24-20(13)16)18(22)17-12(2)10-21(3,4)25-19(11)17/h5-9,12,24-25H,10H2,1-4H3 | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of radiolabeled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 18: 3504-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.029 BindingDB Entry DOI: 10.7270/Q2CR5V8F |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM18161
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062 BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Androgen receptor
(Homo sapiens (Human)) | BDBM18216
((2R)-2-methyl-1-(2,2,2-trifluoroethyl)-9-(trifluor...)Show SMILES C[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C15H12F6N2O2/c1-7-5-25-12-4-10-8(2-11(12)23(7)6-14(16,17)18)9(15(19,20)21)3-13(24)22-10/h2-4,7H,5-6H2,1H3,(H,22,24)/t7-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062 BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50214919
((Z)-(5-fluoro-2-((9-hydroxy-10-methoxy-2,2,4-trime...)Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(F)cc3C(=O)N3CCCCC3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:30.31,38.40,c:30,t:28,37| Show InChI InChI=1S/C33H35FN2O4/c1-19-18-33(2,3)35-24-11-10-22-29(28(19)24)27(40-26-13-12-25(37)31(39-4)30(22)26)16-20-8-9-21(34)17-23(20)32(38)36-14-6-5-7-15-36/h8-13,16-18,24,28,35,37H,5-7,14-15H2,1-4H3/b27-16- | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4158-62 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(RAT) | BDBM50133128
(5-{2-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-phen...)Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)C1=C(CCC1)\C=C\C(\C)=C\C(O)=O |t:18| Show InChI InChI=1S/C25H32F2O3/c1-15(2)19-12-21(16(3)4)25(30-14-23(26)27)22(13-19)20-8-6-7-18(20)10-9-17(5)11-24(28)29/h9-13,15-16,23H,6-8,14H2,1-5H3,(H,28,29)/b10-9+,17-11+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibitory concentration against Rhizopus chinensis pepsin |
J Med Chem 46: 4087-103 (2003)
Article DOI: 10.1021/jm020401k BindingDB Entry DOI: 10.7270/Q2VM4BNR |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-beta
(Rattus norvegicus) | BDBM50133119
(5-{2-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-p...)Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)(F)F)c(c1)C1=C(CCC1)\C=C\C(\C)=C\C(O)=O |t:19| Show InChI InChI=1S/C25H31F3O3/c1-15(2)19-12-21(16(3)4)24(31-14-25(26,27)28)22(13-19)20-8-6-7-18(20)10-9-17(5)11-23(29)30/h9-13,15-16H,6-8,14H2,1-5H3,(H,29,30)/b10-9+,17-11+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity for Retinoic acid receptor RXR-beta was determined by competing with 3[H]-9-cis-RA |
J Med Chem 46: 4087-103 (2003)
Article DOI: 10.1021/jm020401k BindingDB Entry DOI: 10.7270/Q2VM4BNR |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50214932
((Z)-5-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methy...)Show SMILES COc1c(O)ccc2O\C(=C/c3cc(F)cc4COCOc34)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.27,34.36,c:26,t:24,33| Show InChI InChI=1S/C29H28FNO5/c1-15-12-29(2,3)31-20-6-5-19-25(24(15)20)23(36-22-8-7-21(32)28(33-4)26(19)22)11-16-9-18(30)10-17-13-34-14-35-27(16)17/h5-12,20,24,31-32H,13-14H2,1-4H3/b23-11- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4158-62 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW |
More data for this Ligand-Target Pair | |
Cathepsin S
(Homo sapiens (Human)) | BDBM19622
((2S)-2-[(7-chloro-1,3-benzoxazol-2-yl)amino]-3-cyc...)Show SMILES COc1ccc(NC[C@H](C)NC(=O)[C@H](CC2CCCCC2)Nc2nc3cccc(Cl)c3o2)cc1 |r| Show InChI InChI=1S/C26H33ClN4O3/c1-17(16-28-19-11-13-20(33-2)14-12-19)29-25(32)23(15-18-7-4-3-5-8-18)31-26-30-22-10-6-9-21(27)24(22)34-26/h6,9-14,17-18,23,28H,3-5,7-8,15-16H2,1-2H3,(H,29,32)(H,30,31)/t17-,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | -53.4 | n/a | n/a | n/a | n/a | n/a | 5.5 | 37 |
GNF
| Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo... |
Bioorg Med Chem Lett 16: 1975-80 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.095 BindingDB Entry DOI: 10.7270/Q2PZ573M |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50135462
((2E,4E,6Z)-7-[4-(2,2-Difluoro-ethoxy)-3'-fluoro-5-...)Show SMILES CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1cccc(F)c1 Show InChI InChI=1S/C26H27F3O3/c1-16(2)22-13-20(19-9-6-10-21(27)12-19)14-23(26(22)32-15-24(28)29)18(4)8-5-7-17(3)11-25(30)31/h5-14,16,24H,15H2,1-4H3,(H,30,31)/b7-5+,17-11+,18-8- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Binding affinity against RXR alpha receptor using [3H]-9-cis-RA as radioligand in CV-1 cells |
Bioorg Med Chem Lett 13: 4071-5 (2003)
BindingDB Entry DOI: 10.7270/Q2V987GP |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(RAT) | BDBM50133119
(5-{2-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-p...)Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)(F)F)c(c1)C1=C(CCC1)\C=C\C(\C)=C\C(O)=O |t:19| Show InChI InChI=1S/C25H31F3O3/c1-15(2)19-12-21(16(3)4)24(31-14-25(26,27)28)22(13-19)20-8-6-7-18(20)10-9-17(5)11-23(29)30/h9-13,15-16H,6-8,14H2,1-5H3,(H,29,30)/b10-9+,17-11+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity for Retinoic acid receptor RXR-alpha was determined by competing with 3[H]-9-cis-RA |
J Med Chem 46: 4087-103 (2003)
Article DOI: 10.1021/jm020401k BindingDB Entry DOI: 10.7270/Q2VM4BNR |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129719
(7-(3,5-Di-tert-butyl-2-methoxy-phenyl)-3-methyl-oc...)Show SMILES COc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(\C)=C/C=C/C(/C)=C/C(O)=O Show InChI InChI=1S/C24H34O3/c1-16(13-21(25)26)11-10-12-17(2)19-14-18(23(3,4)5)15-20(22(19)27-9)24(6,7)8/h10-15H,1-9H3,(H,25,26)/b11-10+,16-13+,17-12- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Binding affinity against Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]-9-cis-RA as radioligand |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129723
(7-[2-(2-Fluoro-ethoxy)-3,5-diisopropyl-phenyl]-3-m...)Show SMILES CC(C)c1cc(C(C)C)c(OCCF)c(c1)C(\C)=C/C=C/C(/C)=C/C(O)=O Show InChI InChI=1S/C23H31FO3/c1-15(2)19-13-20(16(3)4)23(27-11-10-24)21(14-19)18(6)9-7-8-17(5)12-22(25)26/h7-9,12-16H,10-11H2,1-6H3,(H,25,26)/b8-7+,17-12+,18-9- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Binding affinity against Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]-9-cis-RA as radioligand |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129717
(7-(3,5-Diisopropyl-2-methoxy-phenyl)-3-methyl-octa...)Show SMILES COc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)C)C(C)C Show InChI InChI=1S/C22H30O3/c1-14(2)18-12-19(15(3)4)22(25-7)20(13-18)17(6)10-8-9-16(5)11-21(23)24/h8-15H,1-7H3,(H,23,24)/b9-8+,16-11+,17-10- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description Binding affinity against Retinoic acid receptor RXR-alpha was determined in vitro by using [3H]-9-cis-RA as radioligand |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50214942
((Z)-5-(4-hydroxybenzylidene)-10-methoxy-2,2,4-trim...)Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(O)cc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28| Show InChI InChI=1S/C27H27NO4/c1-15-14-27(2,3)28-19-10-9-18-24(23(15)19)22(13-16-5-7-17(29)8-6-16)32-21-12-11-20(30)26(31-4)25(18)21/h5-14,19,23,28-30H,1-4H3/b22-13- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4158-62 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW |
More data for this Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM19564
((2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-met...)Show SMILES COc1ccc(NCCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)c2cccc(C)c2)cc1 |r| Show InChI InChI=1S/C30H31N3O3/c1-21-6-5-9-25(18-21)29(34)33-28(20-22-10-11-23-7-3-4-8-24(23)19-22)30(35)32-17-16-31-26-12-14-27(36-2)15-13-26/h3-15,18-19,28,31H,16-17,20H2,1-2H3,(H,32,35)(H,33,34)/t28-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GNF
| Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo... |
Bioorg Med Chem Lett 15: 4979-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.017 BindingDB Entry DOI: 10.7270/Q2ZG6QJ8 |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50377413
(CHEMBL257379)Show SMILES Cc1cccc(c1)[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H16F6N2O2/c1-11-3-2-4-12(5-11)17-9-31-18-8-15-13(6-16(18)29(17)10-20(22,23)24)14(21(25,26)27)7-19(30)28-15/h2-8,17H,9-10H2,1H3,(H,28,30)/t17-/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
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062 BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM19566
((2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-met...)Show SMILES COc1ccc(NCCNC(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)c2cccc(C)c2)cc1 |r| Show InChI InChI=1S/C32H33N3O3/c1-23-7-6-10-27(21-23)31(36)35-30(22-24-11-13-26(14-12-24)25-8-4-3-5-9-25)32(37)34-20-19-33-28-15-17-29(38-2)18-16-28/h3-18,21,30,33H,19-20,22H2,1-2H3,(H,34,37)(H,35,36)/t30-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GNF
| Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo... |
Bioorg Med Chem Lett 15: 4979-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.017 BindingDB Entry DOI: 10.7270/Q2ZG6QJ8 |
More data for this Ligand-Target Pair | |
Androgen receptor
(Homo sapiens (Human)) | BDBM50377414
(CHEMBL402835)Show SMILES FC(F)(F)CN1[C@@H](COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C20H14F6N2O2/c21-19(22,23)10-28-15-6-12-13(20(24,25)26)7-18(29)27-14(12)8-17(15)30-9-16(28)11-4-2-1-3-5-11/h1-8,16H,9-10H2,(H,27,29)/t16-/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
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of [3H]DHT from human Androgen receptor in human MDA-MB-453 cells |
Bioorg Med Chem Lett 18: 2967-71 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.062 BindingDB Entry DOI: 10.7270/Q2R2128X |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50377350
(CHEMBL257152)Show SMILES CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1ccc(F)c2cc[nH]c12 |w:1.0| Show InChI InChI=1S/C21H22ClFN2/c1-11-9-15(13-5-6-16(23)14-7-8-24-20(13)14)18(22)17-12(2)10-21(3,4)25-19(11)17/h5-9,12,24-25H,10H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of radiolabeled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 18: 3504-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.029 BindingDB Entry DOI: 10.7270/Q2CR5V8F |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM50367254
(ENALAPRILAT)Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Inhibitory activity against rabbit lung angiotensin-1 converting enzyme |
J Med Chem 31: 1148-60 (1988)
BindingDB Entry DOI: 10.7270/Q2V125DX |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50214922
((Z)-5-(3-hydroxybenzylidene)-10-methoxy-2,2,4-trim...)Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(O)c3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28| Show InChI InChI=1S/C27H27NO4/c1-15-14-27(2,3)28-19-9-8-18-24(23(15)19)22(13-16-6-5-7-17(29)12-16)32-21-11-10-20(30)26(31-4)25(18)21/h5-14,19,23,28-30H,1-4H3/b22-13- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4158-62 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW |
More data for this Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM19553
((2S)-3-(4-chlorophenyl)-N-{2-[(4-methoxyphenyl)ami...)Show SMILES COc1ccc(NCCNC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)c2cccc(C)c2)cc1 |r| Show InChI InChI=1S/C26H28ClN3O3/c1-18-4-3-5-20(16-18)25(31)30-24(17-19-6-8-21(27)9-7-19)26(32)29-15-14-28-22-10-12-23(33-2)13-11-22/h3-13,16,24,28H,14-15,17H2,1-2H3,(H,29,32)(H,30,31)/t24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GNF
| Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo... |
Bioorg Med Chem Lett 15: 4979-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.017 BindingDB Entry DOI: 10.7270/Q2ZG6QJ8 |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50214928
((Z)-(2-((9-hydroxy-10-methoxy-2,2,4-trimethyl-1,2-...)Show SMILES COc1c(O)ccc2O\C(=C/c3sccc3C(=O)N3CCCCC3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:36.37,28.29,c:28,t:26,35| Show InChI InChI=1S/C31H34N2O4S/c1-18-17-31(2,3)32-21-9-8-20-27(26(18)21)24(37-23-11-10-22(34)29(36-4)28(20)23)16-25-19(12-15-38-25)30(35)33-13-6-5-7-14-33/h8-12,15-17,21,26,32,34H,5-7,13-14H2,1-4H3/b24-16- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4158-62 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129720
((2E,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O Show InChI InChI=1S/C25H34F2O3/c1-16(12-22(28)29)10-9-11-17(2)19-13-18(24(3,4)5)14-20(25(6,7)8)23(19)30-15-21(26)27/h9-14,21H,15H2,1-8H3,(H,28,29)/b10-9+,16-12+,17-11- | 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
| PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Binding affinity against RXR alpha receptor using [3H]-9-cis-RA as radioligand in CV-1 cells |
Bioorg Med Chem Lett 13: 4071-5 (2003)
BindingDB Entry DOI: 10.7270/Q2V987GP |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50214935
(5-fluoro-2-((Z)-(9-hydroxy-10-methoxy-2,2,4-trimet...)Show SMILES COc1c(O)ccc2OC(=Cc3ccc(F)cc3CN=O)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:25.25,33.34,10.10,c:24,t:22,31| Show InChI InChI=1S/C28H27FN2O4/c1-15-13-28(2,3)31-20-8-7-19-25(24(15)20)23(12-16-5-6-18(29)11-17(16)14-30-33)35-22-10-9-21(32)27(34-4)26(19)22/h5-13,20,24,31-32H,14H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4158-62 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50377349
(CHEMBL253745)Show SMILES COc1ccc2cc[nH]c2c1-c1cc(C)c2NC(C)(C)CC(C)c2c1Cl |w:21.23,(12.35,-42.62,;12.35,-44.16,;11.02,-44.93,;9.69,-44.17,;8.36,-44.94,;8.37,-46.49,;7.24,-47.52,;7.87,-48.91,;9.39,-48.74,;9.7,-47.25,;11.03,-46.48,;12.36,-47.25,;12.36,-48.8,;13.69,-49.57,;13.69,-51.11,;15.02,-48.8,;16.36,-49.58,;17.71,-48.8,;18.1,-50.28,;19.19,-48.4,;17.71,-47.25,;16.37,-46.46,;16.37,-44.92,;15.03,-47.24,;13.68,-46.48,;13.68,-44.94,)| Show InChI InChI=1S/C22H25ClN2O/c1-12-10-15(18-16(26-5)7-6-14-8-9-24-21(14)18)19(23)17-13(2)11-22(3,4)25-20(12)17/h6-10,13,24-25H,11H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of radiolabeled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 18: 3504-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.029 BindingDB Entry DOI: 10.7270/Q2CR5V8F |
More data for this Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM19554
((2S)-3-(3-chlorophenyl)-N-{2-[(4-methoxyphenyl)ami...)Show SMILES COc1ccc(NCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2cccc(C)c2)cc1 |r| Show InChI InChI=1S/C26H28ClN3O3/c1-18-5-3-7-20(15-18)25(31)30-24(17-19-6-4-8-21(27)16-19)26(32)29-14-13-28-22-9-11-23(33-2)12-10-22/h3-12,15-16,24,28H,13-14,17H2,1-2H3,(H,29,32)(H,30,31)/t24-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GNF
| Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo... |
Bioorg Med Chem Lett 15: 4979-84 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.017 BindingDB Entry DOI: 10.7270/Q2ZG6QJ8 |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50214921
((Z)-5-(3-(pyridin-3-yl)benzylidene)-10-methoxy-2,2...)Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(c3)-c3cccnc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:27.28,35.37,c:27,t:25,34| Show InChI InChI=1S/C32H30N2O3/c1-19-17-32(2,3)34-24-11-10-23-29(28(19)24)27(37-26-13-12-25(35)31(36-4)30(23)26)16-20-7-5-8-21(15-20)22-9-6-14-33-18-22/h5-18,24,28,34-35H,1-4H3/b27-16- | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4158-62 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM50018849
(4-Cyclohexyl-1-{2-[hydroxy-(4-phenyl-butyl)-phosph...)Show SMILES OC(=O)[C@@H]1C[C@H](CN1C(=O)CP(O)(=O)CCCCc1ccccc1)C1CCCCC1 Show InChI InChI=1S/C23H34NO5P/c25-22(17-30(28,29)14-8-7-11-18-9-3-1-4-10-18)24-16-20(15-21(24)23(26)27)19-12-5-2-6-13-19/h1,3-4,9-10,19-21H,2,5-8,11-17H2,(H,26,27)(H,28,29)/t20-,21+/m1/s1 | PDB MMDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Inhibitory activity against rabbit lung angiotensin-1 converting enzyme |
J Med Chem 31: 1148-60 (1988)
BindingDB Entry DOI: 10.7270/Q2V125DX |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-beta
(Rattus norvegicus) | BDBM50133118
(5-{3-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-phen...)Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)-c1ccsc1\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C24H28F2O3S/c1-14(2)17-11-19(15(3)4)24(29-13-22(25)26)20(12-17)18-8-9-30-21(18)7-6-16(5)10-23(27)28/h6-12,14-15,22H,13H2,1-5H3,(H,27,28)/b7-6+,16-10+ | PDB MMDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity for Retinoic acid receptor RXR-beta was determined by competing with 3[H]-9-cis-RA |
J Med Chem 46: 4087-103 (2003)
Article DOI: 10.1021/jm020401k BindingDB Entry DOI: 10.7270/Q2VM4BNR |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50214933
((Z)-10-methoxy-2,2,4-trimethyl-5-((6-methylpyridin...)Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(C)n3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.23,30.30,c:21,t:19,28| Show InChI InChI=1S/C27H28N2O3/c1-15-14-27(3,4)29-19-10-9-18-24(23(15)19)22(13-17-8-6-7-16(2)28-17)32-21-12-11-20(30)26(31-5)25(18)21/h6-14,19,23,29-30H,1-5H3/b22-13- | PDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4158-62 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW |
More data for this Ligand-Target Pair | |
Procathepsin L
(Homo sapiens (Human)) | BDBM19610
((2S)-N-[(2S)-1-[(4-methoxyphenyl)amino]propan-2-yl...)Show SMILES COc1ccc(NC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1 |r| Show InChI InChI=1S/C24H33N3O3/c1-16(2)13-22(27-23(28)19-8-6-7-17(3)14-19)24(29)26-18(4)15-25-20-9-11-21(30-5)12-10-20/h6-12,14,16,18,22,25H,13,15H2,1-5H3,(H,26,29)(H,27,28)/t18-,22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
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| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GNF
| Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo... |
Bioorg Med Chem Lett 16: 1486-90 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.056 BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50214943
(10-methoxy-2,2,4-trimethyl-5-[1-o-tolyl-meth-(Z)-y...)Show SMILES COc1c(O)ccc2O\C(=C/c3ccccc3C)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28| Show InChI InChI=1S/C28H29NO3/c1-16-8-6-7-9-18(16)14-23-25-19(26-22(32-23)13-12-21(30)27(26)31-5)10-11-20-24(25)17(2)15-28(3,4)29-20/h6-15,20,24,29-30H,1-5H3/b23-14- | PDB
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| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4158-62 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Inhibitory activity against rabbit lung angiotensin-1 converting enzyme |
J Med Chem 31: 1148-60 (1988)
BindingDB Entry DOI: 10.7270/Q2V125DX |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50214927
((Z)-5-(4-chlorobenzylidene)-10-methoxy-2,2,4-trime...)Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(Cl)cc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28| Show InChI InChI=1S/C27H26ClNO3/c1-15-14-27(2,3)29-19-10-9-18-24(23(15)19)22(13-16-5-7-17(28)8-6-16)32-21-12-11-20(30)26(31-4)25(18)21/h5-14,19,23,29-30H,1-4H3/b22-13- | PDB
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4158-62 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50377338
(CHEMBL429842)Show SMILES CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cc(F)c(F)c2cc[nH]c12 |w:1.0| Show InChI InChI=1S/C21H21ClF2N2/c1-10-7-13(14-8-15(23)18(24)12-5-6-25-20(12)14)17(22)16-11(2)9-21(3,4)26-19(10)16/h5-8,11,25-26H,9H2,1-4H3 | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of radiolabeled Dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 18: 3504-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.029 BindingDB Entry DOI: 10.7270/Q2CR5V8F |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(RAT) | BDBM50133114
(5-{2-[2-(3-Fluoro-propoxy)-3,5-diisopropyl-phenyl]...)Show SMILES CC(C)c1cc(C(C)C)c(OCCCF)c(c1)C1=C(CCC1)\C=C\C(\C)=C\C(O)=O |t:18| Show InChI InChI=1S/C26H35FO3/c1-17(2)21-15-23(18(3)4)26(30-13-7-12-27)24(16-21)22-9-6-8-20(22)11-10-19(5)14-25(28)29/h10-11,14-18H,6-9,12-13H2,1-5H3,(H,28,29)/b11-10+,19-14+ | PDB MMDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity for Retinoic acid receptor RXR-alpha was determined by competing with 3[H]-9-cis-RA |
J Med Chem 46: 4087-103 (2003)
Article DOI: 10.1021/jm020401k BindingDB Entry DOI: 10.7270/Q2VM4BNR |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50214937
((Z)-5-(4-ethylbenzylidene)-10-methoxy-2,2,4-trimet...)Show SMILES CCc1ccc(\C=C2/Oc3ccc(O)c(OC)c3C3=C2C2C(NC(C)(C)C=C2C)C=C3)cc1 |w:21.31,20.21,c:19,28,32| Show InChI InChI=1S/C29H31NO3/c1-6-18-7-9-19(10-8-18)15-24-26-20(27-23(33-24)14-13-22(31)28(27)32-5)11-12-21-25(26)17(2)16-29(3,4)30-21/h7-16,21,25,30-31H,6H2,1-5H3/b24-15- | PDB
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4158-62 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-gamma
(Rattus norvegicus) | BDBM50133128
(5-{2-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-phen...)Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)C1=C(CCC1)\C=C\C(\C)=C\C(O)=O |t:18| Show InChI InChI=1S/C25H32F2O3/c1-15(2)19-12-21(16(3)4)25(30-14-23(26)27)22(13-19)20-8-6-7-18(20)10-9-17(5)11-24(28)29/h9-13,15-16,23H,6-8,14H2,1-5H3,(H,28,29)/b10-9+,17-11+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity for Retinoic acid receptor RXR-gamma was determined by competing with 3[H]-9-cis-RA |
J Med Chem 46: 4087-103 (2003)
Article DOI: 10.1021/jm020401k BindingDB Entry DOI: 10.7270/Q2VM4BNR |
More data for this Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50214945
(10-methoxy-2,2,4-trimethyl-5-[1-p-tolyl-meth-(Z)-y...)Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(C)cc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28| Show InChI InChI=1S/C28H29NO3/c1-16-6-8-18(9-7-16)14-23-25-19(26-22(32-23)13-12-21(30)27(26)31-5)10-11-20-24(25)17(2)15-28(3,4)29-20/h6-15,20,24,29-30H,1-5H3/b23-14- | PDB
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor |
Bioorg Med Chem Lett 17: 4158-62 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(RAT) | BDBM50133116
((2E,4E)-5-{3-[3,5-Di-tert-butyl-2-(3,3-difluoro-pr...)Show SMILES C\C(\C=C\c1sccc1-c1cc(cc(c1OCCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O Show InChI InChI=1S/C27H34F2O3S/c1-17(14-24(30)31)8-9-22-19(11-13-33-22)20-15-18(26(2,3)4)16-21(27(5,6)7)25(20)32-12-10-23(28)29/h8-9,11,13-16,23H,10,12H2,1-7H3,(H,30,31)/b9-8+,17-14+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description In vitro transcriptional activation in CV-1 cells expressing RXR-alpha |
J Med Chem 46: 4087-103 (2003)
Article DOI: 10.1021/jm020401k BindingDB Entry DOI: 10.7270/Q2VM4BNR |
More data for this Ligand-Target Pair | |
Retinoic acid receptor RXR-alpha
(RAT) | BDBM50133126
(5-[2-(3,5-Diisopropyl-2-propoxy-phenyl)-cyclopent-...)Show SMILES CCCOc1c(cc(cc1C1=C(CCC1)\C=C\C(\C)=C\C(O)=O)C(C)C)C(C)C |t:11| Show InChI InChI=1S/C26H36O3/c1-7-13-29-26-23(18(4)5)15-21(17(2)3)16-24(26)22-10-8-9-20(22)12-11-19(6)14-25(27)28/h11-12,14-18H,7-10,13H2,1-6H3,(H,27,28)/b12-11+,19-14+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Binding affinity for Retinoic acid receptor RXR-alpha was determined by competing with 3[H]-9-cis-RA |
J Med Chem 46: 4087-103 (2003)
Article DOI: 10.1021/jm020401k BindingDB Entry DOI: 10.7270/Q2VM4BNR |
More data for this Ligand-Target Pair | |