Found 36 hits with Last Name = 'brooks' and Initial = 'dp' 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 |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM85335
(SB 234551 | SB-234551)Show SMILES CCCCn1ncc(\C=C(/Cc2cc3OCOc3cc2OC)C(O)=O)c1-c1ccc(OC)cc1OCc1ccccc1C(O)=O |(5.96,3.45,;6.87,2.2,;8.4,2.36,;9.31,1.12,;10.84,1.28,;11.61,2.61,;13.11,2.29,;13.27,.76,;14.61,-.01,;15.94,.76,;15.94,2.3,;17.28,3.07,;18.61,2.3,;19.94,3.07,;21.41,2.6,;22.31,3.84,;21.41,5.09,;19.94,4.61,;18.61,5.38,;17.28,4.61,;15.94,5.38,;15.94,6.92,;17.28,-.01,;17.28,-1.55,;18.61,.76,;11.87,.13,;11.55,-1.37,;12.69,-2.4,;12.37,-3.91,;10.91,-4.38,;10.59,-5.89,;11.73,-6.92,;9.76,-3.35,;10.08,-1.85,;8.94,-.82,;7.47,-1.29,;6.33,-.26,;6.65,1.24,;5.51,2.27,;4.04,1.8,;3.72,.29,;4.86,-.74,;4.54,-2.24,;3.08,-2.72,;5.69,-3.28,)| Show InChI InChI=1S/C34H34N2O9/c1-4-5-12-36-32(27-11-10-25(41-2)16-29(27)43-19-21-8-6-7-9-26(21)34(39)40)24(18-35-36)14-23(33(37)38)13-22-15-30-31(45-20-44-30)17-28(22)42-3/h6-11,14-18H,4-5,12-13,19-20H2,1-3H3,(H,37,38)(H,39,40)/b23-14+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
| PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 286: 650-6 (1998)
BindingDB Entry DOI: 10.7270/Q2V40SSK |
More data for this Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50041617
((1S,2R,3S)-1-Benzo[1,3]dioxol-5-yl-3-(2-carboxymet...)Show SMILES CCCOc1ccc2[C@@H]([C@H]([C@@H](c2c1)c1ccc(OC)cc1OCC(O)=O)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H28O9/c1-3-10-35-18-6-7-19-21(12-18)27(20-8-5-17(34-2)13-23(20)36-14-25(30)31)28(29(32)33)26(19)16-4-9-22-24(11-16)38-15-37-22/h4-9,11-13,26-28H,3,10,14-15H2,1-2H3,(H,30,31)(H,32,33)/t26-,27+,28+/m0/s1 | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 286: 650-6 (1998)
BindingDB Entry DOI: 10.7270/Q2V40SSK |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50372608
(CHEMBL429736 | GSK-221149A)Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2coc(C)n2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C27H34N4O5/c1-4-16(2)23-25(32)29-22(20-13-18-7-5-6-8-19(18)14-20)26(33)31(23)24(21-15-36-17(3)28-21)27(34)30-9-11-35-12-10-30/h5-8,15-16,20,22-24H,4,9-14H2,1-3H3,(H,29,32)/t16-,22+,23+,24+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to human oxytocin receptor |
Bioorg Med Chem Lett 18: 90-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.008 BindingDB Entry DOI: 10.7270/Q2XD12H2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50061077
((1S,2R,3S)-1-Benzo[1,3]dioxol-5-yl-3-[2-(2-hydroxy...)Show SMILES CCCOc1ccc2[C@@H]([C@H]([C@@H](c2c1)c1ccc(OC)cc1OCCO)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H30O8/c1-3-11-34-19-6-7-20-22(14-19)27(21-8-5-18(33-2)15-24(21)35-12-10-30)28(29(31)32)26(20)17-4-9-23-25(13-17)37-16-36-23/h4-9,13-15,26-28,30H,3,10-12,16H2,1-2H3,(H,31,32)/t26-,27+,28+/m0/s1 | PDB
UniProtKB/SwissProt
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 286: 650-6 (1998)
BindingDB Entry DOI: 10.7270/Q2V40SSK |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50372608
(CHEMBL429736 | GSK-221149A)Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2coc(C)n2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C27H34N4O5/c1-4-16(2)23-25(32)29-22(20-13-18-7-5-6-8-19(18)14-20)26(33)31(23)24(21-15-36-17(3)28-21)27(34)30-9-11-35-12-10-30/h5-8,15-16,20,22-24H,4,9-14H2,1-3H3,(H,29,32)/t16-,22+,23+,24+/m0/s1 | PDB
Reactome pathway KEGG
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| PDB Article PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to recombinant oxytocin receptor |
Bioorg Med Chem Lett 18: 90-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.008 BindingDB Entry DOI: 10.7270/Q2XD12H2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50177595
((2S)-5-amino-2-{[(2S)-1-{[(4R,7S,10S,13S,16R)-13-[...)Show SMILES CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)[C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)cc1 |r| Show InChI InChI=1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/t23-,24+,27-,28+,29-,30-,31-,35-,36-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to human oxytocin receptor |
Bioorg Med Chem Lett 18: 90-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.008 BindingDB Entry DOI: 10.7270/Q2XD12H2 |
More data for this Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50041617
((1S,2R,3S)-1-Benzo[1,3]dioxol-5-yl-3-(2-carboxymet...)Show SMILES CCCOc1ccc2[C@@H]([C@H]([C@@H](c2c1)c1ccc(OC)cc1OCC(O)=O)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H28O9/c1-3-10-35-18-6-7-19-21(12-18)27(20-8-5-17(34-2)13-23(20)36-14-25(30)31)28(29(32)33)26(19)16-4-9-22-24(11-16)38-15-37-22/h4-9,11-13,26-28H,3,10,14-15H2,1-2H3,(H,30,31)(H,32,33)/t26-,27+,28+/m0/s1 | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 286: 650-6 (1998)
BindingDB Entry DOI: 10.7270/Q2V40SSK |
More data for this Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50177595
((2S)-5-amino-2-{[(2S)-1-{[(4R,7S,10S,13S,16R)-13-[...)Show SMILES CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)[C@@H](C)CC)[C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)cc1 |r| Show InChI InChI=1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/t23-,24+,27-,28+,29-,30-,31-,35-,36-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to recombinant oxytocin receptor |
Bioorg Med Chem Lett 18: 90-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.008 BindingDB Entry DOI: 10.7270/Q2XD12H2 |
More data for this Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50061101
(4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...)Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1 Show InChI InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32) | PDB
UniProtKB/SwissProt
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| PDB PubMed
| 134 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 286: 650-6 (1998)
BindingDB Entry DOI: 10.7270/Q2V40SSK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50061077
((1S,2R,3S)-1-Benzo[1,3]dioxol-5-yl-3-[2-(2-hydroxy...)Show SMILES CCCOc1ccc2[C@@H]([C@H]([C@@H](c2c1)c1ccc(OC)cc1OCCO)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H30O8/c1-3-11-34-19-6-7-20-22(14-19)27(21-8-5-18(33-2)15-24(21)35-12-10-30)28(29(31)32)26(20)17-4-9-23-25(13-17)37-16-36-23/h4-9,13-15,26-28,30H,3,10-12,16H2,1-2H3,(H,31,32)/t26-,27+,28+/m0/s1 | PDB
UniProtKB/SwissProt
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| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 286: 650-6 (1998)
BindingDB Entry DOI: 10.7270/Q2V40SSK |
More data for this Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM85335
(SB 234551 | SB-234551)Show SMILES CCCCn1ncc(\C=C(/Cc2cc3OCOc3cc2OC)C(O)=O)c1-c1ccc(OC)cc1OCc1ccccc1C(O)=O |(5.96,3.45,;6.87,2.2,;8.4,2.36,;9.31,1.12,;10.84,1.28,;11.61,2.61,;13.11,2.29,;13.27,.76,;14.61,-.01,;15.94,.76,;15.94,2.3,;17.28,3.07,;18.61,2.3,;19.94,3.07,;21.41,2.6,;22.31,3.84,;21.41,5.09,;19.94,4.61,;18.61,5.38,;17.28,4.61,;15.94,5.38,;15.94,6.92,;17.28,-.01,;17.28,-1.55,;18.61,.76,;11.87,.13,;11.55,-1.37,;12.69,-2.4,;12.37,-3.91,;10.91,-4.38,;10.59,-5.89,;11.73,-6.92,;9.76,-3.35,;10.08,-1.85,;8.94,-.82,;7.47,-1.29,;6.33,-.26,;6.65,1.24,;5.51,2.27,;4.04,1.8,;3.72,.29,;4.86,-.74,;4.54,-2.24,;3.08,-2.72,;5.69,-3.28,)| Show InChI InChI=1S/C34H34N2O9/c1-4-5-12-36-32(27-11-10-25(41-2)16-29(27)43-19-21-8-6-7-9-26(21)34(39)40)24(18-35-36)14-23(33(37)38)13-22-15-30-31(45-20-44-30)17-28(22)42-3/h6-11,14-18H,4-5,12-13,19-20H2,1-3H3,(H,37,38)(H,39,40)/b23-14+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
| PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 286: 650-6 (1998)
BindingDB Entry DOI: 10.7270/Q2V40SSK |
More data for this Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50372608
(CHEMBL429736 | GSK-221149A)Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2coc(C)n2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C27H34N4O5/c1-4-16(2)23-25(32)29-22(20-13-18-7-5-6-8-19(18)14-20)26(33)31(23)24(21-15-36-17(3)28-21)27(34)30-9-11-35-12-10-30/h5-8,15-16,20,22-24H,4,9-14H2,1-3H3,(H,29,32)/t16-,22+,23+,24+/m0/s1 | PDB
UniProtKB/SwissProt
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Similars
| Article PubMed
| 950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to human vasopressin V2 receptor |
Bioorg Med Chem Lett 18: 90-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.008 BindingDB Entry DOI: 10.7270/Q2XD12H2 |
More data for this Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50372608
(CHEMBL429736 | GSK-221149A)Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2coc(C)n2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C27H34N4O5/c1-4-16(2)23-25(32)29-22(20-13-18-7-5-6-8-19(18)14-20)26(33)31(23)24(21-15-36-17(3)28-21)27(34)30-9-11-35-12-10-30/h5-8,15-16,20,22-24H,4,9-14H2,1-3H3,(H,29,32)/t16-,22+,23+,24+/m0/s1 | UniProtKB/SwissProt
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| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to human vasopressin V1b receptor |
Bioorg Med Chem Lett 18: 90-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.008 BindingDB Entry DOI: 10.7270/Q2XD12H2 |
More data for this Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50372608
(CHEMBL429736 | GSK-221149A)Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2coc(C)n2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C27H34N4O5/c1-4-16(2)23-25(32)29-22(20-13-18-7-5-6-8-19(18)14-20)26(33)31(23)24(21-15-36-17(3)28-21)27(34)30-9-11-35-12-10-30/h5-8,15-16,20,22-24H,4,9-14H2,1-3H3,(H,29,32)/t16-,22+,23+,24+/m0/s1 | PDB
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Similars
| Article PubMed
| >1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Binding affinity to human vasopressin V1a receptor |
Bioorg Med Chem Lett 18: 90-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.008 BindingDB Entry DOI: 10.7270/Q2XD12H2 |
More data for this Ligand-Target Pair | |
Type-1 angiotensin II receptor B
(RAT) | BDBM50282363
(4-[2-Butyl-5-((E)-2-carboxy-3-thiophen-2-yl-propen...)Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(C(O)=O)c(Cl)c1Cl Show InChI InChI=1S/C23H22Cl2N2O4S/c1-2-3-6-19-26-12-16(10-15(22(28)29)11-17-5-4-9-32-17)27(19)13-14-7-8-18(23(30)31)21(25)20(14)24/h4-5,7-10,12H,2-3,6,11,13H2,1H3,(H,28,29)(H,30,31)/b15-10+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for inhibition of [125I]- AII specific binding to rat mesenteric arteries, expressed as IC50 |
Bioorg Med Chem Lett 4: 23-28 (1994)
Article DOI: 10.1016/S0960-894X(01)81116-1 BindingDB Entry DOI: 10.7270/Q29G5MRF |
More data for this Ligand-Target Pair | |
Type-1 angiotensin II receptor B
(RAT) | BDBM50048078
(4-[2-Butyl-5-((E)-2-carboxy-3-thiophen-2-yl-propen...)Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(C(O)=O)c(Cl)c1 Show InChI InChI=1S/C23H23ClN2O4S/c1-2-3-6-21-25-13-17(11-16(22(27)28)12-18-5-4-9-31-18)26(21)14-15-7-8-19(23(29)30)20(24)10-15/h4-5,7-11,13H,2-3,6,12,14H2,1H3,(H,27,28)(H,29,30)/b16-11+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for inhibition of [125I]- AII specific binding to rat mesenteric arteries, expressed as IC50 |
Bioorg Med Chem Lett 4: 23-28 (1994)
Article DOI: 10.1016/S0960-894X(01)81116-1 BindingDB Entry DOI: 10.7270/Q29G5MRF |
More data for this Ligand-Target Pair | |
Type-1 angiotensin II receptor B
(RAT) | BDBM50011977
((E)-2-butyl-1-(p-carboxybenzyl)-alpha-2-thenylimid...)Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for inhibition of [125I]- AII specific binding to rat mesenteric arteries, expressed as IC50 |
Bioorg Med Chem Lett 4: 23-28 (1994)
Article DOI: 10.1016/S0960-894X(01)81116-1 BindingDB Entry DOI: 10.7270/Q29G5MRF |
More data for this Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50282362
(4-[2-Butyl-5-((E)-2-carboxy-3-thiophen-2-yl-propen...)Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(C(O)=O)c2ccccc12 Show InChI InChI=1S/C27H26N2O4S/c1-2-3-10-25-28-16-20(14-19(26(30)31)15-21-7-6-13-34-21)29(25)17-18-11-12-24(27(32)33)23-9-5-4-8-22(18)23/h4-9,11-14,16H,2-3,10,15,17H2,1H3,(H,30,31)(H,32,33)/b19-14+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for Angiotensin II receptor, type 1 affinity in the absence of BSA |
Bioorg Med Chem Lett 4: 23-28 (1994)
Article DOI: 10.1016/S0960-894X(01)81116-1 BindingDB Entry DOI: 10.7270/Q29G5MRF |
More data for this Ligand-Target Pair | |
Type-1 angiotensin II receptor B
(RAT) | BDBM50011975
(4-[2-Butyl-5-((E)-2-carboxy-3-thiophen-2-yl-propen...)Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1Cl)C(O)=O Show InChI InChI=1S/C23H23ClN2O4S/c1-2-3-6-21-25-13-18(10-17(23(29)30)11-19-5-4-9-31-19)26(21)14-16-8-7-15(22(27)28)12-20(16)24/h4-5,7-10,12-13H,2-3,6,11,14H2,1H3,(H,27,28)(H,29,30)/b17-10+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for inhibition of [125I]- AII specific binding to rat mesenteric arteries, expressed as IC50 |
Bioorg Med Chem Lett 4: 23-28 (1994)
Article DOI: 10.1016/S0960-894X(01)81116-1 BindingDB Entry DOI: 10.7270/Q29G5MRF |
More data for this Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50011977
((E)-2-butyl-1-(p-carboxybenzyl)-alpha-2-thenylimid...)Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank Article
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for Angiotensin II receptor, type 1 affinity in the absence of bovine serum albumin (BSA) |
Bioorg Med Chem Lett 4: 23-28 (1994)
Article DOI: 10.1016/S0960-894X(01)81116-1 BindingDB Entry DOI: 10.7270/Q29G5MRF |
More data for this Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50011977
((E)-2-butyl-1-(p-carboxybenzyl)-alpha-2-thenylimid...)Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank Article
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for Angiotensin II receptor, type 1 affinity in the presence of 0.25% bovine serum albumin (BSA) |
Bioorg Med Chem Lett 4: 23-28 (1994)
Article DOI: 10.1016/S0960-894X(01)81116-1 BindingDB Entry DOI: 10.7270/Q29G5MRF |
More data for this Ligand-Target Pair | |
Type-1 angiotensin II receptor B
(RAT) | BDBM50282362
(4-[2-Butyl-5-((E)-2-carboxy-3-thiophen-2-yl-propen...)Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(C(O)=O)c2ccccc12 Show InChI InChI=1S/C27H26N2O4S/c1-2-3-10-25-28-16-20(14-19(26(30)31)15-21-7-6-13-34-21)29(25)17-18-11-12-24(27(32)33)23-9-5-4-8-22(18)23/h4-9,11-14,16H,2-3,10,15,17H2,1H3,(H,30,31)(H,32,33)/b19-14+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for inhibition of [125I]- AII specific binding to rat mesenteric arteries, expressed as IC50 |
Bioorg Med Chem Lett 4: 23-28 (1994)
Article DOI: 10.1016/S0960-894X(01)81116-1 BindingDB Entry DOI: 10.7270/Q29G5MRF |
More data for this Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50282362
(4-[2-Butyl-5-((E)-2-carboxy-3-thiophen-2-yl-propen...)Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(C(O)=O)c2ccccc12 Show InChI InChI=1S/C27H26N2O4S/c1-2-3-10-25-28-16-20(14-19(26(30)31)15-21-7-6-13-34-21)29(25)17-18-11-12-24(27(32)33)23-9-5-4-8-22(18)23/h4-9,11-14,16H,2-3,10,15,17H2,1H3,(H,30,31)(H,32,33)/b19-14+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for Angiotensin II receptor, type 1 affinity in the presence of 0.25% BSA |
Bioorg Med Chem Lett 4: 23-28 (1994)
Article DOI: 10.1016/S0960-894X(01)81116-1 BindingDB Entry DOI: 10.7270/Q29G5MRF |
More data for this Ligand-Target Pair | |
Type-1 angiotensin II receptor B
(RAT) | BDBM50048076
(4-[2-Butyl-5-((E)-2-carboxy-3-thiophen-2-yl-propen...)Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1cc(Cl)c(cc1Cl)C(O)=O Show InChI InChI=1S/C23H22Cl2N2O4S/c1-2-3-6-21-26-12-16(8-14(22(28)29)9-17-5-4-7-32-17)27(21)13-15-10-20(25)18(23(30)31)11-19(15)24/h4-5,7-8,10-12H,2-3,6,9,13H2,1H3,(H,28,29)(H,30,31)/b14-8+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for inhibition of [125I]- AII specific binding to rat mesenteric arteries, expressed as IC50 |
Bioorg Med Chem Lett 4: 23-28 (1994)
Article DOI: 10.1016/S0960-894X(01)81116-1 BindingDB Entry DOI: 10.7270/Q29G5MRF |
More data for this Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50048069
((E)-3-(3-Benzyl-2-butyl-3H-imidazol-4-yl)-2-thioph...)Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1 Show InChI InChI=1S/C22H24N2O2S/c1-2-3-11-21-23-15-19(24(21)16-17-8-5-4-6-9-17)13-18(22(25)26)14-20-10-7-12-27-20/h4-10,12-13,15H,2-3,11,14,16H2,1H3,(H,25,26)/b18-13+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for binding affinity to Angiotensin II receptor, type 1 |
Bioorg Med Chem Lett 4: 23-28 (1994)
Article DOI: 10.1016/S0960-894X(01)81116-1 BindingDB Entry DOI: 10.7270/Q29G5MRF |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50372613
(CHEMBL410420)Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc(Br)s2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C26H32BrN3O3S/c1-14(2)11-19-24(31)29-22(18-12-16-7-5-6-8-17(16)13-18)26(33)30(19)23(25(32)28-15(3)4)20-9-10-21(27)34-20/h5-10,14-15,18-19,22-23H,11-13H2,1-4H3,(H,28,32)(H,29,31)/t19-,22-,23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 18: 90-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.008 BindingDB Entry DOI: 10.7270/Q2XD12H2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50372609
(CHEMBL401960)Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc(o2)C(F)(F)F)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C27H32F3N3O4/c1-14(2)11-19-24(34)32-22(18-12-16-7-5-6-8-17(16)13-18)26(36)33(19)23(25(35)31-15(3)4)20-9-10-21(37-20)27(28,29)30/h5-10,14-15,18-19,22-23H,11-13H2,1-4H3,(H,31,35)(H,32,34)/t19-,22-,23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 18: 90-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.008 BindingDB Entry DOI: 10.7270/Q2XD12H2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50372611
(CHEMBL196478)Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc(F)cc2F)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C28H33F2N3O3/c1-15(2)11-23-26(34)32-24(19-12-17-7-5-6-8-18(17)13-19)28(36)33(23)25(27(35)31-16(3)4)21-10-9-20(29)14-22(21)30/h5-10,14-16,19,23-25H,11-13H2,1-4H3,(H,31,35)(H,32,34)/t23-,24-,25-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 18: 90-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.008 BindingDB Entry DOI: 10.7270/Q2XD12H2 |
More data for this Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50003266
((E)-3-[2-Butyl-3-(2-chloro-benzyl)-3H-imidazol-4-y...)Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccccc1Cl Show InChI InChI=1S/C22H23ClN2O2S/c1-2-3-10-21-24-14-18(25(21)15-16-7-4-5-9-20(16)23)12-17(22(26)27)13-19-8-6-11-28-19/h4-9,11-12,14H,2-3,10,13,15H2,1H3,(H,26,27)/b17-12+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article
| n/a | n/a | 4.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for binding affinity to Angiotensin II receptor, type 1 |
Bioorg Med Chem Lett 4: 23-28 (1994)
Article DOI: 10.1016/S0960-894X(01)81116-1 BindingDB Entry DOI: 10.7270/Q29G5MRF |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50372614
(CHEMBL209864)Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2ccc(C)o2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C27H35N3O4/c1-15(2)12-21-25(31)29-23(20-13-18-8-6-7-9-19(18)14-20)27(33)30(21)24(26(32)28-16(3)4)22-11-10-17(5)34-22/h6-11,15-16,20-21,23-24H,12-14H2,1-5H3,(H,28,32)(H,29,31)/t21-,23-,24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 18: 90-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.008 BindingDB Entry DOI: 10.7270/Q2XD12H2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50372612
(CHEMBL401910)Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)NC(C)C)c2coc(C)n2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C26H34N4O4/c1-14(2)10-21-24(31)29-22(19-11-17-8-6-7-9-18(17)12-19)26(33)30(21)23(25(32)27-15(3)4)20-13-34-16(5)28-20/h6-9,13-15,19,21-23H,10-12H2,1-5H3,(H,27,32)(H,29,31)/t21-,22-,23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 18: 90-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.008 BindingDB Entry DOI: 10.7270/Q2XD12H2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50372617
(CHEMBL403149)Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)N2CCC2)c2coc(C)n2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C26H32N4O4/c1-15(2)11-21-24(31)28-22(19-12-17-7-4-5-8-18(17)13-19)25(32)30(21)23(20-14-34-16(3)27-20)26(33)29-9-6-10-29/h4-5,7-8,14-15,19,21-23H,6,9-13H2,1-3H3,(H,28,31)/t21-,22-,23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 18: 90-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.008 BindingDB Entry DOI: 10.7270/Q2XD12H2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50372615
(CHEMBL256391)Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)N(C)CCO)c2coc(C)n2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C26H34N4O5/c1-15(2)11-21-24(32)28-22(19-12-17-7-5-6-8-18(17)13-19)25(33)30(21)23(20-14-35-16(3)27-20)26(34)29(4)9-10-31/h5-8,14-15,19,21-23,31H,9-13H2,1-4H3,(H,28,32)/t21-,22-,23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 18: 90-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.008 BindingDB Entry DOI: 10.7270/Q2XD12H2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50372608
(CHEMBL429736 | GSK-221149A)Show SMILES CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2coc(C)n2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C27H34N4O5/c1-4-16(2)23-25(32)29-22(20-13-18-7-5-6-8-19(18)14-20)26(33)31(23)24(21-15-36-17(3)28-21)27(34)30-9-11-35-12-10-30/h5-8,15-16,20,22-24H,4,9-14H2,1-3H3,(H,29,32)/t16-,22+,23+,24+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 18: 90-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.008 BindingDB Entry DOI: 10.7270/Q2XD12H2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50372616
(CHEMBL271039)Show SMILES CC(C)C[C@H]1N([C@@H](C(=O)N2CCOCC2)c2coc(C)n2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C27H34N4O5/c1-16(2)12-22-25(32)29-23(20-13-18-6-4-5-7-19(18)14-20)26(33)31(22)24(21-15-36-17(3)28-21)27(34)30-8-10-35-11-9-30/h4-7,15-16,20,22-24H,8-14H2,1-3H3,(H,29,32)/t22-,23-,24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 18: 90-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.008 BindingDB Entry DOI: 10.7270/Q2XD12H2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50372610
(CHEMBL401858)Show SMILES CC[C@@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2coc(C)n2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C27H34N4O5/c1-4-16(2)23-25(32)29-22(20-13-18-7-5-6-8-19(18)14-20)26(33)31(23)24(21-15-36-17(3)28-21)27(34)30-9-11-35-12-10-30/h5-8,15-16,20,22-24H,4,9-14H2,1-3H3,(H,29,32)/t16-,22-,23-,24-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 18: 90-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.008 BindingDB Entry DOI: 10.7270/Q2XD12H2 |
More data for this Ligand-Target Pair | |