Found 564 hits with Last Name = 'sharma' and Initial = 'sk' 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 |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 0.00190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of EGCG by dilution assay |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 0.0521 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of ECG by dilution assay |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 0.109 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of EGC by dilution assay |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 0.281 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of quercetin by dilution assay |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413787
(CHEMBL449380)Show InChI InChI=1S/C12H15ClN6O4/c1-14-8-4-9(18-12(13)17-8)19(3-16-4)11-6(21)5(20)7(23-11)10(22)15-2/h3,5-7,11,20-21H,1-2H3,(H,15,22)(H,14,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.282 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022 BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(MOUSE-Mus musculus (Mouse)) | BDBM50474629
(CHEMBL415006)Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2ccc(N\C(N)=N\CCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cc12)ccc3O |TLB:65:64:88.68.67:83.81.82,84:83:64:88.68.67,73:88:64:83.81.82,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13| Show InChI InChI=1S/C68H77N13O12/c69-64(76-38-11-12-43-40(25-38)42-27-68(91)48-24-36-9-13-45(82)60-55(36)65(68,62(92-60)58(42)78-43)17-21-81(48)33-35-7-8-35)71-20-2-19-70-51(86)28-74-52(87)29-72-49(84)15-16-50(85)73-30-53(88)75-31-54(89)77-44-4-1-3-39-41-26-67(90)47-23-37-10-14-46(83)61-56(37)66(67,18-22-80(47)32-34-5-6-34)63(93-61)59(41)79-57(39)44/h1,3-4,9-14,25,34-35,47-48,62-63,78-79,82-83,90-91H,2,5-8,15-24,26-33H2,(H,70,86)(H,72,84)(H,73,85)(H,74,87)(H,75,88)(H,77,89)(H3,69,71,76)/t47?,48?,62-,63-,65?,66?,67+,68+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand co-expressed with delta and kappa opioid receptor... |
J Med Chem 47: 2969-72 (2004)
Article DOI: 10.1021/jm0342358 BindingDB Entry DOI: 10.7270/Q2N58Q39 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM21221
((2S,3S,4R,5R)-5-(2-chloro-6-{[(3-iodophenyl)methyl...)Show SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022 BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413786
(CHEMBL483954)Show InChI InChI=1S/C11H13ClN6O4/c1-14-9(21)6-4(19)5(20)10(22-6)18-2-15-3-7(13)16-11(12)17-8(3)18/h2,4-6,10,19-20H,1H3,(H,14,21)(H2,13,16,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022 BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(MOUSE-Mus musculus (Mouse)) | BDBM50474628
(CHEMBL386810)Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2ccc(NC(N)=NCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cc12)ccc3O |TLB:64:63:87.67.66:82.80.81,83:82:63:87.67.66,72:87:63:82.80.81,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13| Show InChI InChI=1S/C67H75N13O12/c68-63(75-37-10-11-42-39(24-37)41-26-67(90)47-23-35-8-12-44(81)59-54(35)64(67,61(91-59)57(41)77-42)16-20-80(47)32-34-6-7-34)70-19-18-69-50(85)27-73-51(86)28-71-48(83)14-15-49(84)72-29-52(87)74-30-53(88)76-43-3-1-2-38-40-25-66(89)46-22-36-9-13-45(82)60-55(36)65(66,17-21-79(46)31-33-4-5-33)62(92-60)58(40)78-56(38)43/h1-3,8-13,24,33-34,46-47,61-62,77-78,81-82,89-90H,4-7,14-23,25-32H2,(H,69,85)(H,71,83)(H,72,84)(H,73,86)(H,74,87)(H,76,88)(H3,68,70,75)/t46?,47?,61-,62-,64?,65?,66+,67+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand co-expressed with delta and kappa opioid receptor... |
J Med Chem 47: 2969-72 (2004)
Article DOI: 10.1021/jm0342358 BindingDB Entry DOI: 10.7270/Q2N58Q39 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413798
(CHEMBL488149)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CC3)nc(Cl)nc12 Show InChI InChI=1S/C15H19ClN6O4/c1-2-17-13(25)10-8(23)9(24)14(26-10)22-5-18-7-11(19-6-3-4-6)20-15(16)21-12(7)22/h5-6,8-10,14,23-24H,2-4H2,1H3,(H,17,25)(H,19,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.676 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022 BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 0.798 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of butein by dilution assay |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413804
(CHEMBL486171)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C19H20ClIN6O4/c1-2-22-17(30)14-12(28)13(29)18(31-14)27-8-24-11-15(25-19(20)26-16(11)27)23-7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,2,7H2,1H3,(H,22,30)(H,23,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.891 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022 BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| MMDB PDB Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of EGCG |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Delta-type/Kappa-type/Mu-type opioid receptor
(MOUSE-Mus musculus (Mouse)) | BDBM50474624
(CHEMBL409172)Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2ccc(NC(N)=NCCCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cc12)ccc3O |TLB:66:65:89.69.68:84.82.83,85:84:65:89.69.68,74:89:65:84.82.83,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13| Show InChI InChI=1S/C69H79N13O12/c70-65(77-39-12-13-44-41(26-39)43-28-69(92)49-25-37-10-14-46(83)61-56(37)66(69,63(93-61)59(43)79-44)18-22-82(49)34-36-8-9-36)72-21-2-1-20-71-52(87)29-75-53(88)30-73-50(85)16-17-51(86)74-31-54(89)76-32-55(90)78-45-5-3-4-40-42-27-68(91)48-24-38-11-15-47(84)62-57(38)67(68,19-23-81(48)33-35-6-7-35)64(94-62)60(42)80-58(40)45/h3-5,10-15,26,35-36,48-49,63-64,79-80,83-84,91-92H,1-2,6-9,16-25,27-34H2,(H,71,87)(H,73,85)(H,74,86)(H,75,88)(H,76,89)(H,78,90)(H3,70,72,77)/t48?,49?,63-,64-,66?,67?,68+,69+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand singly expressed with delta or kappa receptor |
J Med Chem 47: 2969-72 (2004)
Article DOI: 10.1021/jm0342358 BindingDB Entry DOI: 10.7270/Q2N58Q39 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413790
(CHEMBL483969)Show SMILES CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NCC1CC1 Show InChI InChI=1S/C15H19ClN6O4/c1-17-11-7-12(21-15(16)20-11)22(5-19-7)14-9(24)8(23)10(26-14)13(25)18-4-6-2-3-6/h5-6,8-10,14,23-24H,2-4H2,1H3,(H,18,25)(H,17,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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 |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022 BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50100462
(6`-guanidino-17-(cyclopropylmethyl)-6,7-didehydro-...)Show SMILES NC(N)=Nc1ccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c2c1)[C@]4(CCN5CC1CC1)c67 |wU:10.10,wD:26.39,21.20,THB:19:34:10:29.27.28,15:14:10:29.27.28,(16.18,-14.68,;17.06,-15.94,;18.6,-15.8,;16.41,-17.34,;14.87,-17.48,;14,-16.22,;12.47,-16.36,;11.84,-17.76,;10.38,-18.21,;9.06,-17.41,;7.72,-18.16,;8.12,-16.67,;6.39,-17.38,;5.05,-18.14,;5.04,-19.68,;3.72,-20.45,;3.72,-21.99,;5.04,-22.76,;5.04,-24.3,;6.37,-21.99,;8.59,-21.98,;9.01,-20.49,;10.36,-19.75,;11.81,-20.24,;12.72,-19,;14.24,-18.86,;7.68,-19.7,;5.72,-18.42,;5.32,-16.92,;6.42,-15.84,;5.09,-15.06,;5.09,-13.52,;4.32,-12.18,;5.88,-12.19,;6.37,-20.45,)| Show InChI InChI=1S/C27H29N5O3/c28-25(29)30-15-4-5-16-17-11-27(34)20-9-14-3-6-19(33)23-21(14)26(27,7-8-32(20)12-13-1-2-13)24(35-23)22(17)31-18(16)10-15/h3-6,10,13,20,24,31,33-34H,1-2,7-9,11-12H2,(H4,28,29,30)/t20?,24-,26-,27+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| PubMed
| 1.13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Effect on binding to wild-type opioid receptor kappa 1 using [3H]diprenorphine in transiently expressed rat HEK293 cells |
J Med Chem 44: 2073-9 (2001)
BindingDB Entry DOI: 10.7270/Q2416XRH |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50100462
(6`-guanidino-17-(cyclopropylmethyl)-6,7-didehydro-...)Show SMILES NC(N)=Nc1ccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c2c1)[C@]4(CCN5CC1CC1)c67 |wU:10.10,wD:26.39,21.20,THB:19:34:10:29.27.28,15:14:10:29.27.28,(16.18,-14.68,;17.06,-15.94,;18.6,-15.8,;16.41,-17.34,;14.87,-17.48,;14,-16.22,;12.47,-16.36,;11.84,-17.76,;10.38,-18.21,;9.06,-17.41,;7.72,-18.16,;8.12,-16.67,;6.39,-17.38,;5.05,-18.14,;5.04,-19.68,;3.72,-20.45,;3.72,-21.99,;5.04,-22.76,;5.04,-24.3,;6.37,-21.99,;8.59,-21.98,;9.01,-20.49,;10.36,-19.75,;11.81,-20.24,;12.72,-19,;14.24,-18.86,;7.68,-19.7,;5.72,-18.42,;5.32,-16.92,;6.42,-15.84,;5.09,-15.06,;5.09,-13.52,;4.32,-12.18,;5.88,-12.19,;6.37,-20.45,)| Show InChI InChI=1S/C27H29N5O3/c28-25(29)30-15-4-5-16-17-11-27(34)20-9-14-3-6-19(33)23-21(14)26(27,7-8-32(20)12-13-1-2-13)24(35-23)22(17)31-18(16)10-15/h3-6,10,13,20,24,31,33-34H,1-2,7-9,11-12H2,(H4,28,29,30)/t20?,24-,26-,27+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| PubMed
| 1.15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Binding affinity towards rat opioid receptor kappa 1 was determined using [3H]diprenorphine radioligand |
J Med Chem 44: 2073-9 (2001)
BindingDB Entry DOI: 10.7270/Q2416XRH |
More data for this Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(MOUSE-Mus musculus (Mouse)) | BDBM50474624
(CHEMBL409172)Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2ccc(NC(N)=NCCCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cc12)ccc3O |TLB:66:65:89.69.68:84.82.83,85:84:65:89.69.68,74:89:65:84.82.83,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13| Show InChI InChI=1S/C69H79N13O12/c70-65(77-39-12-13-44-41(26-39)43-28-69(92)49-25-37-10-14-46(83)61-56(37)66(69,63(93-61)59(43)79-44)18-22-82(49)34-36-8-9-36)72-21-2-1-20-71-52(87)29-75-53(88)30-73-50(85)16-17-51(86)74-31-54(89)76-32-55(90)78-45-5-3-4-40-42-27-68(91)48-24-38-11-15-47(84)62-57(38)67(68,19-23-81(48)33-35-6-7-35)64(94-62)60(42)80-58(40)45/h3-5,10-15,26,35-36,48-49,63-64,79-80,83-84,91-92H,1-2,6-9,16-25,27-34H2,(H,71,87)(H,73,85)(H,74,86)(H,75,88)(H,76,89)(H,78,90)(H3,70,72,77)/t48?,49?,63-,64-,66?,67?,68+,69+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand co-expressed with delta and kappa opioid receptor... |
J Med Chem 47: 2969-72 (2004)
Article DOI: 10.1021/jm0342358 BindingDB Entry DOI: 10.7270/Q2N58Q39 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413791
(CHEMBL483975)Show SMILES CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NCCC(C)C Show InChI InChI=1S/C16H23ClN6O4/c1-7(2)4-5-19-14(26)11-9(24)10(25)15(27-11)23-6-20-8-12(18-3)21-16(17)22-13(8)23/h6-7,9-11,15,24-25H,4-5H2,1-3H3,(H,19,26)(H,18,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022 BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413816
(CHEMBL516346)Show SMILES CNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3ccccc3C)nc(Cl)nc12 Show InChI InChI=1S/C19H21ClN6O4/c1-9-5-3-4-6-10(9)7-22-15-11-16(25-19(20)24-15)26(8-23-11)18-13(28)12(27)14(30-18)17(29)21-2/h3-6,8,12-14,18,27-28H,7H2,1-2H3,(H,21,29)(H,22,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022 BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413797
(CHEMBL488148)Show SMILES CNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CC3)nc(Cl)nc12 Show InChI InChI=1S/C14H17ClN6O4/c1-16-12(24)9-7(22)8(23)13(25-9)21-4-17-6-10(18-5-2-3-5)19-14(15)20-11(6)21/h4-5,7-9,13,22-23H,2-3H2,1H3,(H,16,24)(H,18,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022 BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413817
(CHEMBL473502)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3ccccc3C)nc(Cl)nc12 Show InChI InChI=1S/C20H23ClN6O4/c1-3-22-18(30)15-13(28)14(29)19(31-15)27-9-24-12-16(25-20(21)26-17(12)27)23-8-11-7-5-4-6-10(11)2/h4-7,9,13-15,19,28-29H,3,8H2,1-2H3,(H,22,30)(H,23,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022 BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50100464
(7`-guanidino-17-(cyclopropylmethyl)-6,7-didehydro-...)Show SMILES NC(N)=Nc1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)[C@]4(CCN5CC1CC1)c67 |wU:11.11,wD:26.39,22.21,THB:20:34:11:29.27.28,16:15:11:29.27.28,(17.3,-18.58,;16.66,-19.98,;17.55,-21.24,;15.13,-20.12,;14.24,-18.86,;14.87,-17.48,;14,-16.22,;12.47,-16.36,;11.84,-17.76,;10.38,-18.21,;9.06,-17.41,;7.72,-18.16,;8.12,-16.67,;6.39,-17.38,;5.05,-18.14,;5.04,-19.68,;3.72,-20.45,;3.72,-21.99,;5.04,-22.76,;5.04,-24.3,;6.37,-21.99,;8.59,-21.98,;9.01,-20.49,;10.36,-19.75,;11.81,-20.24,;12.72,-19,;7.68,-19.7,;5.72,-18.42,;5.32,-16.92,;6.42,-15.84,;5.09,-15.06,;5.09,-13.52,;4.32,-12.18,;5.88,-12.19,;6.37,-20.45,)| Show InChI InChI=1S/C27H29N5O3/c28-25(29)30-17-3-1-2-15-16-11-27(34)19-10-14-6-7-18(33)23-20(14)26(27,8-9-32(19)12-13-4-5-13)24(35-23)22(16)31-21(15)17/h1-3,6-7,13,19,24,31,33-34H,4-5,8-12H2,(H4,28,29,30)/t19?,24-,26-,27+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| PubMed
| 2.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Binding affinity towards mouse delta-opioid receptor was determined using [3H]diprenorphine as radioligand |
J Med Chem 44: 2073-9 (2001)
BindingDB Entry DOI: 10.7270/Q2416XRH |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413789
(CHEMBL521312)Show SMILES CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NC1CC1 Show InChI InChI=1S/C14H17ClN6O4/c1-16-10-6-11(20-14(15)19-10)21(4-17-6)13-8(23)7(22)9(25-13)12(24)18-5-2-3-5/h4-5,7-9,13,22-23H,2-3H2,1H3,(H,18,24)(H,16,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022 BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413803
(CHEMBL487754)Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C17H23ClN6O4/c1-2-19-15(27)12-10(25)11(26)16(28-12)24-7-20-9-13(21-8-5-3-4-6-8)22-17(18)23-14(9)24/h7-8,10-12,16,25-26H,2-6H2,1H3,(H,19,27)(H,21,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022 BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413806
(CHEMBL486374)Show SMILES OC1C(O)C(OC1C(=O)NC1CC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C20H20ClIN6O4/c21-20-26-16(23-7-9-2-1-3-10(22)6-9)12-17(27-20)28(8-24-12)19-14(30)13(29)15(32-19)18(31)25-11-4-5-11/h1-3,6,8,11,13-15,19,29-30H,4-5,7H2,(H,25,31)(H,23,26,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022 BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(MOUSE-Mus musculus (Mouse)) | BDBM50474626
(CHEMBL414603)Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2ccc(N\C(N)=N\CCCCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cc12)ccc3O |TLB:67:66:90.70.69:85.83.84,86:85:66:90.70.69,75:90:66:85.83.84,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13| Show InChI InChI=1S/C70H81N13O12/c71-66(78-40-13-14-45-42(27-40)44-29-70(93)50-26-38-11-15-47(84)62-57(38)67(70,64(94-62)60(44)80-45)19-23-83(50)35-37-9-10-37)73-22-3-1-2-21-72-53(88)30-76-54(89)31-74-51(86)17-18-52(87)75-32-55(90)77-33-56(91)79-46-6-4-5-41-43-28-69(92)49-25-39-12-16-48(85)63-58(39)68(69,20-24-82(49)34-36-7-8-36)65(95-63)61(43)81-59(41)46/h4-6,11-16,27,36-37,49-50,64-65,80-81,84-85,92-93H,1-3,7-10,17-26,28-35H2,(H,72,88)(H,74,86)(H,75,87)(H,76,89)(H,77,90)(H,79,91)(H3,71,73,78)/t49?,50?,64-,65-,67?,68?,69+,70+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand singly expressed with delta or kappa receptor |
J Med Chem 47: 2969-72 (2004)
Article DOI: 10.1021/jm0342358 BindingDB Entry DOI: 10.7270/Q2N58Q39 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413807
(CHEMBL516058)Show SMILES OC1C(O)C(OC1C(=O)NCC1CC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C21H22ClIN6O4/c22-21-27-17(24-8-11-2-1-3-12(23)6-11)13-18(28-21)29(9-26-13)20-15(31)14(30)16(33-20)19(32)25-7-10-4-5-10/h1-3,6,9-10,14-16,20,30-31H,4-5,7-8H2,(H,25,32)(H,24,27,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022 BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50211885
(5-(3,4-dihydroxybenzylidene)-3-phenyl-2-thioxothia...)Show InChI InChI=1S/C16H11NO3S2/c18-12-7-6-10(8-13(12)19)9-14-15(20)17(16(21)22-14)11-4-2-1-3-5-11/h1-9,18-19H/b14-9- | PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Science
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to crotonyl CoA |
J Med Chem 50: 2665-75 (2007)
Article DOI: 10.1021/jm061257w BindingDB Entry DOI: 10.7270/Q2ZP46X9 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413802
(CHEMBL488777)Show SMILES CNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C16H21ClN6O4/c1-18-14(26)11-9(24)10(25)15(27-11)23-6-19-8-12(20-7-4-2-3-5-7)21-16(17)22-13(8)23/h6-7,9-11,15,24-25H,2-5H2,1H3,(H,18,26)(H,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022 BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(MOUSE-Mus musculus (Mouse)) | BDBM50474626
(CHEMBL414603)Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2ccc(N\C(N)=N\CCCCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cc12)ccc3O |TLB:67:66:90.70.69:85.83.84,86:85:66:90.70.69,75:90:66:85.83.84,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13| Show InChI InChI=1S/C70H81N13O12/c71-66(78-40-13-14-45-42(27-40)44-29-70(93)50-26-38-11-15-47(84)62-57(38)67(70,64(94-62)60(44)80-45)19-23-83(50)35-37-9-10-37)73-22-3-1-2-21-72-53(88)30-76-54(89)31-74-51(86)17-18-52(87)75-32-55(90)77-33-56(91)79-46-6-4-5-41-43-28-69(92)49-25-39-12-16-48(85)63-58(39)68(69,20-24-82(49)34-36-7-8-36)65(95-63)61(43)81-59(41)46/h4-6,11-16,27,36-37,49-50,64-65,80-81,84-85,92-93H,1-3,7-10,17-26,28-35H2,(H,72,88)(H,74,86)(H,75,87)(H,76,89)(H,77,90)(H,79,91)(H3,71,73,78)/t49?,50?,64-,65-,67?,68?,69+,70+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand co-expressed with delta and kappa opioid receptor |
J Med Chem 47: 2969-72 (2004)
Article DOI: 10.1021/jm0342358 BindingDB Entry DOI: 10.7270/Q2N58Q39 |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413799
(CHEMBL487334)Show SMILES OC1C(O)C(OC1C(=O)NC1CC1)n1cnc2c(NC3CC3)nc(Cl)nc12 Show InChI InChI=1S/C16H19ClN6O4/c17-16-21-12(19-6-1-2-6)8-13(22-16)23(5-18-8)15-10(25)9(24)11(27-15)14(26)20-7-3-4-7/h5-7,9-11,15,24-25H,1-4H2,(H,20,26)(H,19,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022 BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(MOUSE-Mus musculus (Mouse)) | BDBM50474625
(CHEMBL611140)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(N\C(N)=N\CCCNC(=O)CNC(=O)CCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)[C@@]8([H])Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)[C@]7(CCN8CC4CC4)c9%10)cc12)ccc3O |r,TLB:78:77:57:82.62.61,THB:10:9:17:4.5.6| Show InChI InChI=1S/C64H71N11O10/c65-60(70-36-11-12-41-38(25-36)40-27-64(83)46-24-34-9-13-43(76)56-51(34)61(64,58(84-56)54(40)72-41)17-21-75(46)31-33-7-8-33)67-20-2-19-66-49(80)28-68-47(78)15-16-48(79)69-29-50(81)71-42-4-1-3-37-39-26-63(82)45-23-35-10-14-44(77)57-52(35)62(63,18-22-74(45)30-32-5-6-32)59(85-57)55(39)73-53(37)42/h1,3-4,9-14,25,32-33,45-46,58-59,72-73,76-77,82-83H,2,5-8,15-24,26-31H2,(H,66,80)(H,68,78)(H,69,79)(H,71,81)(H3,65,67,70)/t45-,46-,58+,59+,61+,62+,63-,64-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand singly expressed with delta or kappa receptors. |
J Med Chem 47: 2969-72 (2004)
Article DOI: 10.1021/jm0342358 BindingDB Entry DOI: 10.7270/Q2N58Q39 |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
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| MMDB PDB Article PubMed
| 7.29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of EGCG |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
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| MMDB PDB Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of ECG |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50070942
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
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CHEMBL MCE KEGG MMDB PC cid PC sid UniChem
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| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of triclosan |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
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| MMDB PDB Article PubMed
| 8.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of EGC |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
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| MMDB PDB Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of quercetin |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Kappa-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50100462
(6`-guanidino-17-(cyclopropylmethyl)-6,7-didehydro-...)Show SMILES NC(N)=Nc1ccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c2c1)[C@]4(CCN5CC1CC1)c67 |wU:10.10,wD:26.39,21.20,THB:19:34:10:29.27.28,15:14:10:29.27.28,(16.18,-14.68,;17.06,-15.94,;18.6,-15.8,;16.41,-17.34,;14.87,-17.48,;14,-16.22,;12.47,-16.36,;11.84,-17.76,;10.38,-18.21,;9.06,-17.41,;7.72,-18.16,;8.12,-16.67,;6.39,-17.38,;5.05,-18.14,;5.04,-19.68,;3.72,-20.45,;3.72,-21.99,;5.04,-22.76,;5.04,-24.3,;6.37,-21.99,;8.59,-21.98,;9.01,-20.49,;10.36,-19.75,;11.81,-20.24,;12.72,-19,;14.24,-18.86,;7.68,-19.7,;5.72,-18.42,;5.32,-16.92,;6.42,-15.84,;5.09,-15.06,;5.09,-13.52,;4.32,-12.18,;5.88,-12.19,;6.37,-20.45,)| Show InChI InChI=1S/C27H29N5O3/c28-25(29)30-15-4-5-16-17-11-27(34)20-9-14-3-6-19(33)23-21(14)26(27,7-8-32(20)12-13-1-2-13)24(35-23)22(17)31-18(16)10-15/h3-6,10,13,20,24,31,33-34H,1-2,7-9,11-12H2,(H4,28,29,30)/t20?,24-,26-,27+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| PubMed
| 12.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Effect on binding to kappa(Glu297Ala) opioid receptor, using [3H]diprenorphine in transiently expressed rat HEK293 cells |
J Med Chem 44: 2073-9 (2001)
BindingDB Entry DOI: 10.7270/Q2416XRH |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
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| MMDB PDB Article PubMed
| 13.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of butein |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50042949
((E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl...)Show InChI InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+ | PDB MMDB
UniProtKB/TrEMBL
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| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of triclosan |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50153015
((-)-Epicatechin-3-gallate | (-)-epicatechin 3-O-ga...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
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| Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of triclosan |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413794
(CHEMBL390877)Show SMILES CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NCc1cccc(F)c1 Show InChI InChI=1S/C18H18ClFN6O4/c1-21-14-10-15(25-18(19)24-14)26(7-23-10)17-12(28)11(27)13(30-17)16(29)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,22,29)(H,21,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 17.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022 BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM50187665
((-)-epigallocatechin | CHEMBL47386)Show SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1 | PDB MMDB
UniProtKB/TrEMBL
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| Article PubMed
| 17.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of triclosan |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413808
(CHEMBL474509)Show SMILES OC1C(O)C(OC1C(=O)NC1CCC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 Show InChI InChI=1S/C21H22ClIN6O4/c22-21-27-17(24-8-10-3-1-4-11(23)7-10)13-18(28-21)29(9-25-13)20-15(31)14(30)16(33-20)19(32)26-12-5-2-6-12/h1,3-4,7,9,12,14-16,20,30-31H,2,5-6,8H2,(H,26,32)(H,24,27,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 18.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022 BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50100462
(6`-guanidino-17-(cyclopropylmethyl)-6,7-didehydro-...)Show SMILES NC(N)=Nc1ccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c2c1)[C@]4(CCN5CC1CC1)c67 |wU:10.10,wD:26.39,21.20,THB:19:34:10:29.27.28,15:14:10:29.27.28,(16.18,-14.68,;17.06,-15.94,;18.6,-15.8,;16.41,-17.34,;14.87,-17.48,;14,-16.22,;12.47,-16.36,;11.84,-17.76,;10.38,-18.21,;9.06,-17.41,;7.72,-18.16,;8.12,-16.67,;6.39,-17.38,;5.05,-18.14,;5.04,-19.68,;3.72,-20.45,;3.72,-21.99,;5.04,-22.76,;5.04,-24.3,;6.37,-21.99,;8.59,-21.98,;9.01,-20.49,;10.36,-19.75,;11.81,-20.24,;12.72,-19,;14.24,-18.86,;7.68,-19.7,;5.72,-18.42,;5.32,-16.92,;6.42,-15.84,;5.09,-15.06,;5.09,-13.52,;4.32,-12.18,;5.88,-12.19,;6.37,-20.45,)| Show InChI InChI=1S/C27H29N5O3/c28-25(29)30-15-4-5-16-17-11-27(34)20-9-14-3-6-19(33)23-21(14)26(27,7-8-32(20)12-13-1-2-13)24(35-23)22(17)31-18(16)10-15/h3-6,10,13,20,24,31,33-34H,1-2,7-9,11-12H2,(H4,28,29,30)/t20?,24-,26-,27+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PC cid PC sid UniChem
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| PubMed
| 20.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Binding affinity towards mouse delta-opioid receptor was determined using [3H]diprenorphine as radioligand |
J Med Chem 44: 2073-9 (2001)
BindingDB Entry DOI: 10.7270/Q2416XRH |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM7460
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | PDB MMDB
UniProtKB/TrEMBL
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| Article PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR in presence of triclosan |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413818
(CHEMBL474310)Show SMILES Cc1ccccc1CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NC1CC1 Show InChI InChI=1S/C21H23ClN6O4/c1-10-4-2-3-5-11(10)8-23-17-13-18(27-21(22)26-17)28(9-24-13)20-15(30)14(29)16(32-20)19(31)25-12-6-7-12/h2-5,9,12,14-16,20,29-30H,6-8H2,1H3,(H,25,31)(H,23,26,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 27.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022 BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this Ligand-Target Pair | |
Enoyl-acyl-carrier protein reductase
(Plasmodium falciparum) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB MMDB
UniProtKB/TrEMBL
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| MMDB PDB Article PubMed
| 28.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Immunology
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum ENR by fluorescence quenching in presence of ECG |
J Med Chem 50: 765-75 (2007)
Article DOI: 10.1021/jm061154d BindingDB Entry DOI: 10.7270/Q2QJ7J4Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50413819
(CHEMBL474311)Show SMILES Cc1ccccc1CNc1nc(Cl)nc2n(cnc12)C1OC(C(O)C1O)C(=O)NCC1CC1 Show InChI InChI=1S/C22H25ClN6O4/c1-11-4-2-3-5-13(11)9-24-18-14-19(28-22(23)27-18)29(10-26-14)21-16(31)15(30)17(33-21)20(32)25-8-12-6-7-12/h2-5,10,12,15-17,21,30-31H,6-9H2,1H3,(H,25,32)(H,24,27,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 29.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sobhasaria Engineering College
Curated by ChEMBL
| Assay Description Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells |
Eur J Med Chem 44: 1377-82 (2009)
Article DOI: 10.1016/j.ejmech.2008.09.022 BindingDB Entry DOI: 10.7270/Q20C4X03 |
More data for this Ligand-Target Pair | |