Found 13441 hits with Last Name = 'xia' and Initial = 'y' 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 |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50295955
(5-(((S)-Pyrrolidin-2-yl)methoxy)-3-((6-chloropyrid...)Show SMILES Clc1ccc(Oc2cc(OC[C@@H]3CCCN3)cnc2Cl)cn1 |r| Show InChI InChI=1S/C15H15Cl2N3O2/c16-14-4-3-11(7-19-14)22-13-6-12(8-20-15(13)17)21-9-10-2-1-5-18-10/h3-4,6-8,10,18H,1-2,5,9H2/t10-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.00560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting |
Bioorg Med Chem 17: 4367-77 (2009)
Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM209097
(US9266877, 43)Show SMILES Cc1c(cnn1CC1CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C34H34N6O3S/c1-21-26(18-35-40(21)19-22-8-3-2-4-9-22)24-14-15-30(37-31(24)33(42)43)39-17-16-23-10-7-11-25(27(23)20-39)32(41)38-34-36-28-12-5-6-13-29(28)44-34/h5-7,10-15,18,22H,2-4,8-9,16-17,19-20H2,1H3,(H,42,43)(H,36,38,41) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.00800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide probe binding to BCL-xl (unknown origin) incubated for 1 hr by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50263171
((+)-2-(6'-[18F]fluoro-3,3'-bipyridin-5-yl)-7-methy...)Show SMILES CN1C2CCC1C(C2)c1cncc(c1)-c1ccc(F)nc1 |TLB:8:6:3.4:1| Show InChI InChI=1S/C17H18FN3/c1-21-14-3-4-16(21)15(7-14)13-6-12(8-19-9-13)11-2-5-17(18)20-10-11/h2,5-6,8-10,14-16H,3-4,7H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.00900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nAChR expressed in HEK293 cells |
J Med Chem 51: 4751-64 (2008)
Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030752
(CHEMBL3342333)Show SMILES CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1F Show InChI InChI=1S/C35H32FN5O4S2/c1-40(2)17-6-9-23-14-15-24(20-27(23)36)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-22-8-5-10-25(26(22)21-41)32(42)39-34-37-28-11-3-4-12-29(28)46-34/h3-5,8,10-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867 BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030754
(CHEMBL3342332)Show SMILES CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c(F)c1 Show InChI InChI=1S/C35H32FN5O4S2/c1-40(2)17-6-8-22-14-15-28(26(36)20-22)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-23-9-5-10-24(25(23)21-41)32(42)39-34-37-27-11-3-4-12-29(27)46-34/h3-5,9-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| <0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867 BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030757
(CHEMBL3342196)Show SMILES CN1CCN(CCCNc2ncnc3n(ncc23)-c2ccc(OCCCc3sc(nc3C(O)=O)N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)cc2)CC1 Show InChI InChI=1S/C43H45N11O4S2/c1-51-20-22-52(23-21-51)18-6-17-44-38-32-25-47-54(39(32)46-27-45-38)29-12-14-30(15-13-29)58-24-5-11-36-37(41(56)57)49-43(60-36)53-19-16-28-7-4-8-31(33(28)26-53)40(55)50-42-48-34-9-2-3-10-35(34)59-42/h2-4,7-10,12-15,25,27H,5-6,11,16-24,26H2,1H3,(H,56,57)(H,44,45,46)(H,48,50,55) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| <0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867 BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030758
(CHEMBL3342195)Show SMILES CN(C)CCCNc1ncnc2n(ncc12)-c1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1 Show InChI InChI=1S/C40H40N10O4S2/c1-48(2)19-7-18-41-35-29-22-44-50(36(29)43-24-42-35)26-13-15-27(16-14-26)54-21-6-12-33-34(38(52)53)46-40(56-33)49-20-17-25-8-5-9-28(30(25)23-49)37(51)47-39-45-31-10-3-4-11-32(31)55-39/h3-5,8-11,13-16,22,24H,6-7,12,17-21,23H2,1-2H3,(H,52,53)(H,41,42,43)(H,45,47,51) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| <0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867 BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030759
(CHEMBL3342194)Show SMILES OC(=O)c1nc(sc1CCCOc1ccc(cc1)-n1cccn1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C33H28N6O4S2/c40-30(37-32-35-26-8-1-2-9-27(26)44-32)24-7-3-6-21-15-18-38(20-25(21)24)33-36-29(31(41)42)28(45-33)10-4-19-43-23-13-11-22(12-14-23)39-17-5-16-34-39/h1-3,5-9,11-14,16-17H,4,10,15,18-20H2,(H,41,42)(H,35,37,40) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| <0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867 BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50162774
(ABT-199 | US11420968, Example ABT-199 | Venetoclax)Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
KEGG PC cid PC sid UniChem
Similars
| | <0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50561528
(CHEMBL4762875)Show SMILES COC12CC3CC(CC(Cn4ncc(c4C)-c4ccc(nc4C(O)=O)N4CCc5cccc(C(=O)Nc6nc7ccccc7s6)c5C4)(C3)C1)C2 |TLB:1:2:5.4.47:7,5:6:4.3.47:48,THB:5:4:6.49.7:48,3:4:7:49.2.48,3:2:5.4.47:7| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| <0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide probe binding to BCL-xl (unknown origin) incubated for 1 hr by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50162797
(CHEMBL3793424)Show SMILES Cc1c(cnn1CC12CC3CC(CC(C3)C1)C2)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 |TLB:14:9:16:12.13.15,14:13:16:10.9.8,THB:12:11:8:14.13.15,12:13:10.11.16:8| Show InChI InChI=1S/C38H38N6O3S/c1-22-29(19-39-44(22)21-38-16-23-13-24(17-38)15-25(14-23)18-38)27-9-10-33(41-34(27)36(46)47)43-12-11-26-5-4-6-28(30(26)20-43)35(45)42-37-40-31-7-2-3-8-32(31)48-37/h2-10,19,23-25H,11-18,20-21H2,1H3,(H,46,47)(H,40,42,45) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| <0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide probe binding to BCL-xl (unknown origin) incubated for 1 hr by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50263171
((+)-2-(6'-[18F]fluoro-3,3'-bipyridin-5-yl)-7-methy...)Show SMILES CN1C2CCC1C(C2)c1cncc(c1)-c1ccc(F)nc1 |TLB:8:6:3.4:1| Show InChI InChI=1S/C17H18FN3/c1-21-14-3-4-16(21)15(7-14)13-6-12(8-19-9-13)11-2-5-17(18)20-10-11/h2,5-6,8-10,14-16H,3-4,7H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells |
J Med Chem 51: 4751-64 (2008)
Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50263095
((+)-7-Methyl-2-exo-[3'-(2-fluoropyridin-4-yl)-5'-p...)Show SMILES CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1ccnc(F)c1 |r,TLB:8:6:3.4:1| Show InChI InChI=1S/C17H18FN3/c1-21-14-2-3-16(21)15(8-14)13-6-12(9-19-10-13)11-4-5-20-17(18)7-11/h4-7,9-10,14-16H,2-3,8H2,1H3/t14-,15-,16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nAChR expressed in HEK293 cells |
J Med Chem 51: 4751-64 (2008)
Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50263095
((+)-7-Methyl-2-exo-[3'-(2-fluoropyridin-4-yl)-5'-p...)Show SMILES CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1ccnc(F)c1 |r,TLB:8:6:3.4:1| Show InChI InChI=1S/C17H18FN3/c1-21-14-2-3-16(21)15(8-14)13-6-12(9-19-10-13)11-4-5-20-17(18)7-11/h4-7,9-10,14-16H,2-3,8H2,1H3/t14-,15-,16-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells |
J Med Chem 51: 4751-64 (2008)
Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha-2-beta-2 nACHR expressed in human HEK293 cells |
J Med Chem 49: 2673-6 (2006)
Article DOI: 10.1021/jm051196m BindingDB Entry DOI: 10.7270/Q2GX4F96 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Prostaglandin E2 receptor EP4 subtype
(Homo sapiens (Human)) | BDBM50373939
(CHEMBL258332)Show SMILES O[C@@H](Cc1cccc(Cl)c1)\C=C\[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H24ClNO4/c24-19-3-1-2-17(14-19)15-21(26)10-8-20-9-11-22(27)25(20)13-12-16-4-6-18(7-5-16)23(28)29/h1-8,10,14,20-21,26H,9,11-13,15H2,(H,28,29)/b10-8+/t20-,21+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
EMD-Serono Research Institute, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]PGE4 from human EP4 receptor |
Bioorg Med Chem Lett 18: 821-4 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.020 BindingDB Entry DOI: 10.7270/Q2W096SW |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030756
(CHEMBL3342197)Show SMILES CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1 Show InChI InChI=1S/C35H33N5O4S2/c1-39(2)19-6-8-23-14-16-25(17-15-23)44-21-7-13-30-31(33(42)43)37-35(46-30)40-20-18-24-9-5-10-26(27(24)22-40)32(41)38-34-36-28-11-3-4-12-29(28)45-34/h3-5,9-12,14-17H,7,13,18-22H2,1-2H3,(H,42,43)(H,36,38,41) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867 BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Rattus norvegicus) | BDBM50263130
((+)-7-Methyl-2-exo-[3'-(2-fluoropyridin-3-yl)-5'-p...)Show SMILES CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1cccnc1F |r,TLB:8:6:3.4:1| Show InChI InChI=1S/C17H18FN3/c1-21-13-4-5-16(21)15(8-13)12-7-11(9-19-10-12)14-3-2-6-20-17(14)18/h2-3,6-7,9-10,13,15-16H,4-5,8H2,1H3/t13-,15-,16-/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha6beta2 nAChR expressed in HEK293 cells |
J Med Chem 51: 4751-64 (2008)
Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50295954
(2-Chloro-3-(2-fluoro-4-(pyridinyl)methoxy)-5-((1-m...)Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(OCc2ccnc(F)c2)c1 |r| Show InChI InChI=1S/C17H19ClFN3O2/c1-22-6-2-3-13(22)11-23-14-8-15(17(18)21-9-14)24-10-12-4-5-20-16(19)7-12/h4-5,7-9,13H,2-3,6,10-11H2,1H3/t13-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 0.0220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting |
Bioorg Med Chem 17: 4367-77 (2009)
Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB
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| 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nAChR expressed in HEK293 cells |
J Med Chem 51: 4751-64 (2008)
Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB
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| 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787 BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB
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| 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine |
Bioorg Med Chem Lett 15: 4385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.039 BindingDB Entry DOI: 10.7270/Q2H41V62 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB
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Georgetown University Medical Center
Curated by ChEMBL
| Assay Description Tested for binding affinity against Nicotinic acetylcholine receptor alpha2-beta2 |
J Med Chem 46: 921-4 (2003)
Article DOI: 10.1021/jm025613w BindingDB Entry DOI: 10.7270/Q2P271VS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB
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| 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 using [3H]epibatidine |
Bioorg Med Chem Lett 14: 1855-8 (2004)
Article DOI: 10.1016/j.bmcl.2003.10.071 BindingDB Entry DOI: 10.7270/Q269753N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University School of Medicine
Curated by ChEMBL
| Assay Description Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand |
Bioorg Med Chem Lett 14: 1845-8 (2004)
Article DOI: 10.1016/j.bmcl.2003.09.105 BindingDB Entry DOI: 10.7270/Q2TB17G2 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University School of Medicine
Curated by ChEMBL
| Assay Description Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta4 expressed in HEK293 cells using [3H]EB as radioligand |
Bioorg Med Chem Lett 14: 1845-8 (2004)
Article DOI: 10.1016/j.bmcl.2003.09.105 BindingDB Entry DOI: 10.7270/Q2TB17G2 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB
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| 0.0250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting |
Bioorg Med Chem 17: 4367-77 (2009)
Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB
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| 0.0260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University School of Medicine
Curated by ChEMBL
| Assay Description Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta4 expressed in HEK293 cells using [3H]EB as radioligand |
Bioorg Med Chem Lett 14: 1845-8 (2004)
Article DOI: 10.1016/j.bmcl.2003.09.105 BindingDB Entry DOI: 10.7270/Q2TB17G2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB
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| 0.0260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University School of Medicine
Curated by ChEMBL
| Assay Description Binding affinity towards rat nicotinic acetylcholine receptor alpha2-beta2 expressed in HEK293 cells using [3H]EB as radioligand |
Bioorg Med Chem Lett 14: 1845-8 (2004)
Article DOI: 10.1016/j.bmcl.2003.09.105 BindingDB Entry DOI: 10.7270/Q2TB17G2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM209074
(US9266877, 20)Show SMILES Cc1c(cnn1Cc1ccccc1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C34H28N6O3S/c1-21-26(18-35-40(21)19-22-8-3-2-4-9-22)24-14-15-30(37-31(24)33(42)43)39-17-16-23-10-7-11-25(27(23)20-39)32(41)38-34-36-28-12-5-6-13-29(28)44-34/h2-15,18H,16-17,19-20H2,1H3,(H,42,43)(H,36,38,41) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide probe binding to BCL-xl (unknown origin) incubated for 1 hr by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.9b00568 BindingDB Entry DOI: 10.7270/Q2542S8D |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50475411
(CHEMBL197830)Show SMILES Cc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:9:14:20:18.17| Show InChI InChI=1S/C18H19FN2/c1-11-2-4-12(5-3-11)16-8-13(10-20-18(16)19)15-9-14-6-7-17(15)21-14/h2-5,8,10,14-15,17,21H,6-7,9H2,1H3 | PDB MMDB
KEGG
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| PC cid PC sid UniChem
| Article PubMed
| 0.0280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 using 0.5 nM [3H]epibatidine |
Bioorg Med Chem Lett 15: 4385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.039 BindingDB Entry DOI: 10.7270/Q2H41V62 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50295955
(5-(((S)-Pyrrolidin-2-yl)methoxy)-3-((6-chloropyrid...)Show SMILES Clc1ccc(Oc2cc(OC[C@@H]3CCCN3)cnc2Cl)cn1 |r| Show InChI InChI=1S/C15H15Cl2N3O2/c16-14-4-3-11(7-19-14)22-13-6-12(8-20-15(13)17)21-9-10-2-1-5-18-10/h3-4,6-8,10,18H,1-2,5,9H2/t10-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting |
Bioorg Med Chem 17: 4367-77 (2009)
Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4
(Rattus norvegicus (Rat)) | BDBM50295959
((S)-2-chloro-5-((1-methylpyrrolidin-2-yl)methoxy)-...)Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(\C=C\c2ccncc2)c1 |r| Show InChI InChI=1S/C18H20ClN3O/c1-22-10-2-3-16(22)13-23-17-11-15(18(19)21-12-17)5-4-14-6-8-20-9-7-14/h4-9,11-12,16H,2-3,10,13H2,1H3/b5-4+/t16-/m0/s1 | PDB
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| 0.0280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [125I]5-A-85380 from alpha4beta2 nicotinic receptor in rat brain |
Bioorg Med Chem 17: 4367-77 (2009)
Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030757
(CHEMBL3342196)Show SMILES CN1CCN(CCCNc2ncnc3n(ncc23)-c2ccc(OCCCc3sc(nc3C(O)=O)N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)cc2)CC1 Show InChI InChI=1S/C43H45N11O4S2/c1-51-20-22-52(23-21-51)18-6-17-44-38-32-25-47-54(39(32)46-27-45-38)29-12-14-30(15-13-29)58-24-5-11-36-37(41(56)57)49-43(60-36)53-19-16-28-7-4-8-31(33(28)26-53)40(55)50-42-48-34-9-2-3-10-35(34)59-42/h2-4,7-10,12-15,25,27H,5-6,11,16-24,26H2,1H3,(H,56,57)(H,44,45,46)(H,48,50,55) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description Inhibition of BCL-XL (unknown origin) incubated for 1 hr in presence of 1% human serum by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867 BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50030751
(CHEMBL3342334)Show SMILES CN(C)CC#Cc1cc(F)c(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1F Show InChI InChI=1S/C35H31F2N5O4S2/c1-41(2)15-6-9-22-18-26(37)28(19-25(22)36)46-17-7-13-30-31(33(44)45)39-35(48-30)42-16-14-21-8-5-10-23(24(21)20-42)32(43)40-34-38-27-11-3-4-12-29(27)47-34/h3-5,8,10-12,18-19H,7,13-17,20H2,1-2H3,(H,44,45)(H,38,40,43) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie, Inc.
Curated by ChEMBL
| Assay Description Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay |
ACS Med Chem Lett 5: 1088-93 (2014)
Article DOI: 10.1021/ml5001867 BindingDB Entry DOI: 10.7270/Q2VX0J43 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50442922
(CHEMBL3086984)Show SMILES CN(C)c1cc(F)cc(c1)C#Cc1cncc(OC[C@@H]2CCN2)c1 |r| Show InChI InChI=1S/C19H20FN3O/c1-23(2)18-8-14(7-16(20)10-18)3-4-15-9-19(12-21-11-15)24-13-17-5-6-22-17/h7-12,17,22H,5-6,13H2,1-2H3/t17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.0310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay |
J Med Chem 56: 8404-21 (2013)
Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Rattus norvegicus (Rat)) | BDBM50143281
(3-((S)-Azetidin-2-yloxy)-5-iodo-pyridine | CHEMBL5...)Show InChI InChI=1S/C8H9IN2O/c9-6-3-7(5-10-4-6)12-8-1-2-11-8/h3-5,8,11H,1-2H2/t8-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.0310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University School of Medicine
Curated by ChEMBL
| Assay Description Binding affinity towards rat nicotinic acetylcholine receptor alpha2-beta2 expressed in HEK293 cells using [3H]EB as radioligand |
Bioorg Med Chem Lett 14: 1845-8 (2004)
Article DOI: 10.1016/j.bmcl.2003.09.105 BindingDB Entry DOI: 10.7270/Q2TB17G2 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50295956
(2-Chloro-3-(2-chloro-5-(pyridinyl)methoxy)-5-((1-m...)Show SMILES CN1CCC[C@H]1COc1cnc(Cl)c(OCc2ccc(Cl)nc2)c1 |r| Show InChI InChI=1S/C17H19Cl2N3O2/c1-22-6-2-3-13(22)11-23-14-7-15(17(19)21-9-14)24-10-12-4-5-16(18)20-8-12/h4-5,7-9,13H,2-3,6,10-11H2,1H3/t13-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting |
Bioorg Med Chem 17: 4367-77 (2009)
Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50066789
(3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...)Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1 | PDB
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 98-107 (2004)
Article DOI: 10.1124/jpet.104.066787 BindingDB Entry DOI: 10.7270/Q2XG9PQX |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-6
(Rattus norvegicus) | BDBM50263095
((+)-7-Methyl-2-exo-[3'-(2-fluoropyridin-4-yl)-5'-p...)Show SMILES CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1ccnc(F)c1 |r,TLB:8:6:3.4:1| Show InChI InChI=1S/C17H18FN3/c1-21-14-2-3-16(21)15(8-14)13-6-12(9-19-10-13)11-4-5-20-17(18)7-11/h4-7,9-10,14-16H,2-3,8H2,1H3/t14-,15-,16-/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha6beta2 nAChR expressed in HEK293 cells |
J Med Chem 51: 4751-64 (2008)
Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50475407
(CHEMBL198228)Show SMILES CN1C2CCC1C(C2)c1cnc(Cl)c(c1)-c1ccccc1 |TLB:0:1:6.7:4.3,THB:8:6:1:4.3| Show InChI InChI=1S/C18H19ClN2/c1-21-14-7-8-17(21)15(10-14)13-9-16(18(19)20-11-13)12-5-3-2-4-6-12/h2-6,9,11,14-15,17H,7-8,10H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 using 0.5 nM [3H]epibatidine |
Bioorg Med Chem Lett 15: 4385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.039 BindingDB Entry DOI: 10.7270/Q2H41V62 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50442927
(CHEMBL3086994)Show InChI InChI=1S/C17H15FN2O/c18-15-3-1-2-13(8-15)4-5-14-9-17(11-19-10-14)21-12-16-6-7-20-16/h1-3,8-11,16,20H,6-7,12H2/t16-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 0.0320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay |
J Med Chem 56: 8404-21 (2013)
Article DOI: 10.1021/jm4008455 BindingDB Entry DOI: 10.7270/Q2JW8GBV |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid PDB UniChem
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Similars
| Article PubMed
| 0.0330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana State University
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK cell membranes after 4 hrs by liquid scintillation counting ... |
J Nat Prod 81: 1029-1035 (2018)
Article DOI: 10.1021/acs.jnatprod.8b00062 BindingDB Entry DOI: 10.7270/Q2R49TF0 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50475410
(CHEMBL372133)Show SMILES COc1ccc(cc1)-c1cc(cnc1Cl)C1CC2CCC1N2 |TLB:10:15:21:19.18| Show InChI InChI=1S/C18H19ClN2O/c1-22-14-5-2-11(3-6-14)16-8-12(10-20-18(16)19)15-9-13-4-7-17(15)21-13/h2-3,5-6,8,10,13,15,17,21H,4,7,9H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 using 0.5 nM [3H]epibatidine |
Bioorg Med Chem Lett 15: 4385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.039 BindingDB Entry DOI: 10.7270/Q2H41V62 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50263130
((+)-7-Methyl-2-exo-[3'-(2-fluoropyridin-3-yl)-5'-p...)Show SMILES CN1[C@@H]2CC[C@@H]1[C@H](C2)c1cncc(c1)-c1cccnc1F |r,TLB:8:6:3.4:1| Show InChI InChI=1S/C17H18FN3/c1-21-13-4-5-16(21)15(8-13)12-7-11(9-19-10-12)14-3-2-6-20-17(14)18/h2-3,6-7,9-10,13,15-16H,4-5,8H2,1H3/t13-,15-,16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 0.0340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nAChR expressed in HEK293 cells |
J Med Chem 51: 4751-64 (2008)
Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB
UniProtKB/SwissProt
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| 0.0350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha3beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting |
Bioorg Med Chem 17: 4367-77 (2009)
Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL PC cid PC sid PDB UniChem
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Similars
| Article PubMed
| 0.0350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University College of Physicians and Surgeons
Curated by ChEMBL
| Assay Description In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 using 0.5 nM [3H]epibatidine |
Bioorg Med Chem Lett 15: 4385-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.039 BindingDB Entry DOI: 10.7270/Q2H41V62 |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2
(Rattus norvegicus (Rat)) | BDBM50295953
(2-Chloro-3-(2-fluoro-4-(pyridinyl)methoxy)-5-(2-(S...)Show SMILES Fc1cc(COc2cc(OC[C@@H]3CCCN3)cnc2Cl)ccn1 |r| Show InChI InChI=1S/C16H17ClFN3O2/c17-16-14(23-9-11-3-5-20-15(18)6-11)7-13(8-21-16)22-10-12-2-1-4-19-12/h3,5-8,12,19H,1-2,4,9-10H2/t12-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting |
Bioorg Med Chem 17: 4367-77 (2009)
Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL PC cid PC sid PDB UniChem
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| Article PubMed
| 0.0350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Binding affinity towards Nicotinic acetylcholine receptor alpha3-beta4 using [3H]epibatidine |
Bioorg Med Chem Lett 14: 1855-8 (2004)
Article DOI: 10.1016/j.bmcl.2003.10.071 BindingDB Entry DOI: 10.7270/Q269753N |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3
(Rattus norvegicus (Rat)) | BDBM50049757
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| 0.0350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha3beta2 nAChR expressed in HEK293 cells |
J Med Chem 51: 4751-64 (2008)
Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J |
More data for this Ligand-Target Pair | |