Found 88 hits of ic50 for UniProtKB: P17787 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50335638
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21 Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet 
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Homo sapiens (Human)) | BDBM50170589
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2...)Show SMILES C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CNC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O Show InChI InChI=1S/C65H97N23O24S4/c1-27(75-61(108)42(24-115)86-54(101)29(3)76-64(111)44-5-4-12-88(44)65(112)38(14-31-19-71-26-73-31)83-60(107)39(21-89)84-63(110)43(25-116)87-62(109)41(23-114)77-49(95)20-72-48(94)18-66)52(99)74-28(2)53(100)79-35(15-46(68)92)58(105)81-36(16-47(69)93)57(104)78-33(10-11-45(67)91)55(102)82-37(17-50(96)97)59(106)80-34(13-30-6-8-32(90)9-7-30)56(103)85-40(22-113)51(70)98/h6-9,19,26-29,33-44,89-90,113-116H,4-5,10-18,20-25,66H2,1-3H3,(H2,67,91)(H2,68,92)(H2,69,93)(H2,70,98)(H,71,73)(H,72,94)(H,74,99)(H,75,108)(H,76,111)(H,77,95)(H,78,104)(H,79,100)(H,80,106)(H,81,105)(H,82,102)(H,83,107)(H,84,110)(H,85,103)(H,86,101)(H,87,109)(H,96,97)/t27-,28-,29-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta2 |
J Med Chem 48: 4705-45 (2005)
Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50484569
(CHEMBL1934184)Show InChI InChI=1S/C17H9ClN2O2S/c18-15-4-3-14(23-15)16-11-5-6-19-8-12(11)10-2-1-9(17(21)22)7-13(10)20-16/h1-8H,(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50484577
(CHEMBL1934182)Show InChI InChI=1S/C17H10N2O2S/c20-17(21)10-1-2-12-14-8-18-5-3-13(14)16(19-15(12)7-10)11-4-6-22-9-11/h1-9H,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50484568
(CHEMBL1934181)Show SMILES CCNc1ncc2c3ccc(cc3nc(-c3ccc(Cl)cc3)c2n1)C(O)=O Show InChI InChI=1S/C20H15ClN4O2/c1-2-22-20-23-10-15-14-8-5-12(19(26)27)9-16(14)24-17(18(15)25-20)11-3-6-13(21)7-4-11/h3-10H,2H2,1H3,(H,26,27)(H,22,23,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Homo sapiens (Human)) | BDBM50481206
(CHEMBL595311)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(C)C)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C67H106N22O23S4/c1-29(2)12-35(54(98)76-34(9-10-51(95)96)53(97)79-38(15-33-20-72-28-74-33)57(101)83-41(21-90)59(103)81-39(16-48(69)92)58(102)78-36(13-30(3)4)55(99)87-46(26-116)67(111)112)77-56(100)37(14-32-19-71-27-73-32)80-62(106)45(25-115)86-65(109)52(31(5)6)88-64(108)47-8-7-11-89(47)66(110)40(17-49(70)93)82-60(104)42(22-91)84-63(107)44(24-114)85-61(105)43(23-113)75-50(94)18-68/h19-20,27-31,34-47,52,90-91,113-116H,7-18,21-26,68H2,1-6H3,(H2,69,92)(H2,70,93)(H,71,73)(H,72,74)(H,75,94)(H,76,98)(H,77,100)(H,78,102)(H,79,97)(H,80,106)(H,81,103)(H,82,104)(H,83,101)(H,84,107)(H,85,105)(H,86,109)(H,87,99)(H,88,108)(H,95,96)(H,111,112)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Boise State University
Curated by ChEMBL
| Assay Description
Inhibition of alpha3beta2 nAChR |
Bioorg Med Chem 17: 5894-9 (2009)
Article DOI: 10.1016/j.bmc.2009.07.005
BindingDB Entry DOI: 10.7270/Q2474DN8 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM152738
(5-(4-chlorophenyl)benzo[c]2,6-naphthyridine-8-carb...)Show SMILES OC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ccncc21 Show InChI InChI=1S/C19H11ClN2O2/c20-13-4-1-11(2-5-13)18-15-7-8-21-10-16(15)14-6-3-12(19(23)24)9-17(14)22-18/h1-10H,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50484567
(CHEMBL1934180)Show SMILES OC(=O)c1ccc2c(c1)nc(-c1ccccc1)c1nc(NC3CC3)ncc21 Show InChI InChI=1S/C21H16N4O2/c26-20(27)13-6-9-15-16-11-22-21(23-14-7-8-14)25-19(16)18(24-17(15)10-13)12-4-2-1-3-5-12/h1-6,9-11,14H,7-8H2,(H,26,27)(H,22,23,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Homo sapiens (Human)) | BDBM50170586
((3S)-3-{[(2S)-1-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2...)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C=O Show InChI InChI=1S/C65H92N16O21S4/c1-32(53(90)78-52(33(2)84)62(99)74-41(23-49(67)86)64(101)79-18-6-11-46(79)60(97)72-39(24-51(88)89)55(92)69-36(26-82)28-103)68-54(91)38(21-34-9-4-3-5-10-34)71-58(95)45(31-106)77-61(98)47-12-7-19-80(47)65(102)48-13-8-20-81(48)63(100)40(22-35-14-16-37(85)17-15-35)73-56(93)42(27-83)75-59(96)44(30-105)76-57(94)43(29-104)70-50(87)25-66/h3-5,9-10,14-17,26,32-33,36,38-48,52,83-85,103-106H,6-8,11-13,18-25,27-31,66H2,1-2H3,(H2,67,86)(H,68,91)(H,69,92)(H,70,87)(H,71,95)(H,72,97)(H,73,93)(H,74,99)(H,75,96)(H,76,94)(H,77,98)(H,78,90)(H,88,89)/t32-,33+,36+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,52-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta2; Range is 0.3-1.5 nM |
J Med Chem 48: 4705-45 (2005)
Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3
(Homo sapiens (Human)) | BDBM50445325
(CHEMBL3104238)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2)[C@@H](C)O)C(C)C |r,wU:74.77,66.73,55.57,101.105,118.122,50.133,42.137,24.25,17.21,4.3,wD:59.60,86.88,107.111,122.127,46.134,129.136,32.33,8.8,2.2,91.98,(66.49,-32.86,;65.08,-32.24,;63.83,-33.16,;64.02,-34.68,;62.43,-32.53,;62.25,-31.01,;63.49,-30.09,;64.9,-30.71,;63.31,-28.57,;61.9,-27.95,;60.66,-28.86,;59.25,-28.25,;59.09,-26.73,;58.02,-29.17,;64.55,-27.65,;64.38,-26.11,;62.97,-25.51,;65.62,-25.21,;67,-25.9,;67.96,-24.53,;66.95,-23.19,;65.37,-23.73,;64.06,-22.94,;62.71,-23.69,;64.08,-21.4,;65.43,-20.65,;65.44,-19.11,;64.12,-18.32,;66.79,-18.36,;62.75,-20.6,;61.4,-21.35,;61.39,-22.89,;60.09,-20.56,;58.74,-21.31,;58.72,-22.85,;59.95,-23.78,;59.45,-25.22,;57.91,-25.2,;57.46,-23.74,;60.11,-19.03,;58.8,-18.23,;57.45,-18.99,;58.82,-16.7,;57.5,-15.9,;56.11,-15.26,;55.97,-13.72,;54.85,-16.13,;53.46,-15.48,;52.19,-16.37,;52.32,-17.91,;50.8,-15.72,;50.67,-14.18,;51.32,-12.42,;30.25,-15.39,;28.35,-17.6,;28.36,-19.15,;27.03,-19.93,;25.7,-19.18,;25.68,-17.64,;24.37,-19.97,;24.47,-21.5,;22.84,-21.86,;22,-20.42,;23.11,-19.17,;22.9,-17.64,;24.05,-16.63,;21.44,-17.14,;21.14,-15.62,;22.3,-14.61,;23.75,-15.11,;22,-13.11,;20.28,-18.15,;18.83,-17.66,;18.52,-16.14,;17.66,-18.67,;17.96,-20.17,;16.21,-18.17,;15.91,-16.66,;14.46,-16.17,;14.17,-14.65,;12.7,-14.16,;12.41,-12.65,;11.55,-15.17,;29.71,-19.9,;29.72,-21.45,;31.03,-19.12,;32.37,-19.88,;32.39,-21.41,;33.72,-22.17,;57.48,-36.19,;58.72,-35.28,;60.12,-35.9,;61.37,-34.98,;61.18,-33.46,;59.79,-32.84,;60.3,-37.42,;59.07,-38.34,;61.72,-38.04,;33.69,-19.09,;33.67,-17.55,;35.03,-19.85,;36.36,-19.06,;36.34,-17.53,;37.67,-16.75,;37.7,-19.81,;37.72,-21.36,;39.03,-19.03,;40.36,-19.79,;40.38,-21.33,;41.72,-22.09,;41.74,-23.62,;43.05,-21.29,;41.69,-19,;43.03,-19.76,;41.67,-17.46,;40.39,-16.39,;40.99,-14.83,;42.67,-14.94,;42.79,-16.48,;44.23,-17.05,;44.36,-18.59,;45.49,-16.18,;46.89,-16.82,;47.02,-18.36,;48.4,-19.01,;45.75,-19.24,;48.14,-15.94,;48.01,-14.41,;49.53,-16.59,;54.98,-17.67,;53.72,-18.55,;56.37,-18.32,;60.17,-15.94,;61.48,-16.75,;60.18,-14.41,)| Show InChI InChI=1S/C79H125N27O25S4/c1-8-36(6)59-74(127)96-46(61(84)114)29-132-133-30-47-66(119)95-45(28-107)65(118)94-43(25-55(83)111)77(130)106-22-12-16-52(106)71(124)100-57(34(2)3)73(126)99-49(32-135-134-31-48(67(120)97-47)98-70(123)51-15-11-21-105(51)78(131)44(26-56(112)113)92-62(115)39(80)13-9-19-88-79(85)86)68(121)103-60(37(7)108)75(128)101-58(35(4)5)72(125)91-41(23-38-27-87-33-89-38)64(117)93-42(24-54(82)110)76(129)104-20-10-14-50(104)69(122)90-40(63(116)102-59)17-18-53(81)109/h27,33-37,39-52,57-60,107-108H,8-26,28-32,80H2,1-7H3,(H2,81,109)(H2,82,110)(H2,83,111)(H2,84,114)(H,87,89)(H,90,122)(H,91,125)(H,92,115)(H,93,117)(H,94,118)(H,95,119)(H,96,127)(H,97,120)(H,98,123)(H,99,126)(H,100,124)(H,101,128)(H,102,116)(H,103,121)(H,112,113)(H4,85,86,88)/t36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,57-,58-,59-,60-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha6/alpha3beta2beta3 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clam... |
J Med Chem 56: 9655-63 (2014)
Article DOI: 10.1021/jm401254c
BindingDB Entry DOI: 10.7270/Q22Z171M |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50484579
(CHEMBL1934166)Show InChI InChI=1S/C19H12N2O3/c22-13-3-1-2-11(8-13)18-15-6-7-20-10-16(15)14-5-4-12(19(23)24)9-17(14)21-18/h1-10,22H,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3
(Homo sapiens (Human)) | BDBM50170585
(CHEMBL406906)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(O)=O)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CS)C(N)=O Show InChI InChI=1S/C73H117N23O24S4/c1-8-33(6)55(69(116)86-42(26-121)57(78)104)92-58(105)37(15-16-49(75)99)81-64(111)47-13-10-18-95(47)72(119)39(22-50(76)100)83-59(106)38(20-35-24-79-30-80-35)82-67(114)54(32(4)5)91-70(117)56(34(7)98)93-63(110)45(29-124)89-68(115)53(31(2)3)90-66(113)48-14-11-19-96(48)73(120)40(23-51(77)101)84-60(107)41(25-97)85-61(108)43(27-122)87-62(109)44(28-123)88-65(112)46-12-9-17-94(46)71(118)36(74)21-52(102)103/h24,30-34,36-48,53-56,97-98,121-124H,8-23,25-29,74H2,1-7H3,(H2,75,99)(H2,76,100)(H2,77,101)(H2,78,104)(H,79,80)(H,81,111)(H,82,114)(H,83,106)(H,84,107)(H,85,108)(H,86,116)(H,87,109)(H,88,112)(H,89,115)(H,90,113)(H,91,117)(H,92,105)(H,93,110)(H,102,103)/t33-,34+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,53-,54-,55-,56-/m0/s1 | PDB
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The Danish University of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha-6-alpha-3-beta-2-beta-3; Range is 0.7-1 nM |
J Med Chem 48: 4705-45 (2005)
Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50484584
(CHEMBL1934318)Show SMILES OC(=O)c1ccc2c(c1)nc(Sc1cccc(Cl)c1)c1ccncc21 Show InChI InChI=1S/C19H11ClN2O2S/c20-12-2-1-3-13(9-12)25-18-15-6-7-21-10-16(15)14-5-4-11(19(23)24)8-17(14)22-18/h1-10H,(H,23,24) | PDB
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Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50484556
(CHEMBL1934160)Show InChI InChI=1S/C19H12N2O2/c22-19(23)13-6-7-14-16-11-20-9-8-15(16)18(21-17(14)10-13)12-4-2-1-3-5-12/h1-11H,(H,22,23) | PDB
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Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Homo sapiens (Human)) | BDBM50445323
(CHEMBL3104236)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2 |r| Show InChI InChI=1S/C61H92N24O20S4/c1-5-26(2)47-60(104)81-37(48(66)92)20-106-108-23-40-58(102)80-36(19-86)55(99)79-35(12-30-17-68-25-71-30)61(105)85-10-6-7-41(85)59(103)73-28(4)50(94)82-39(22-109-107-21-38(57(101)83-40)75-45(90)15-62)56(100)72-27(3)49(93)69-18-46(91)74-33(13-43(64)88)52(96)78-34(14-44(65)89)53(97)76-31(8-9-42(63)87)51(95)77-32(54(98)84-47)11-29-16-67-24-70-29/h16-17,24-28,31-41,47,86H,5-15,18-23,62H2,1-4H3,(H2,63,87)(H2,64,88)(H2,65,89)(H2,66,92)(H,67,70)(H,68,71)(H,69,93)(H,72,100)(H,73,103)(H,74,91)(H,75,90)(H,76,97)(H,77,95)(H,78,96)(H,79,99)(H,80,102)(H,81,104)(H,82,94)(H,83,101)(H,84,98)/t26-,27-,28-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,47-/m0/s1 | PDB
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Hainan University
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha3beta2 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clamp electrophy... |
J Med Chem 56: 9655-63 (2014)
Article DOI: 10.1021/jm401254c
BindingDB Entry DOI: 10.7270/Q22Z171M |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Homo sapiens (Human)) | BDBM50140089
(CHEMBL437423 | GCCSHPACAGNNQHIC*)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(N)=O Show InChI InChI=1S/C61H96N24O20S4/c1-5-26(2)47(60(104)81-37(20-106)48(66)92)84-54(98)32(11-29-16-67-24-70-29)77-51(95)31(8-9-42(63)87)76-53(97)34(14-44(65)89)78-52(96)33(13-43(64)88)74-46(91)18-69-49(93)27(3)72-56(100)39(22-108)82-50(94)28(4)73-59(103)41-7-6-10-85(41)61(105)35(12-30-17-68-25-71-30)79-55(99)36(19-86)80-58(102)40(23-109)83-57(101)38(21-107)75-45(90)15-62/h16-17,24-28,31-41,47,86,106-109H,5-15,18-23,62H2,1-4H3,(H2,63,87)(H2,64,88)(H2,65,89)(H2,66,92)(H,67,70)(H,68,71)(H,69,93)(H,72,100)(H,73,103)(H,74,91)(H,75,90)(H,76,97)(H,77,95)(H,78,96)(H,79,99)(H,80,102)(H,81,104)(H,82,94)(H,83,101)(H,84,98)/t26-,27-,28-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,47-/m0/s1 | PDB
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The Danish University of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta2 |
J Med Chem 48: 4705-45 (2005)
Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Homo sapiens (Human)) | BDBM50481212
(CHEMBL609593)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C61H95N23O21S4/c1-5-26(2)47(59(102)82-40(23-109)61(104)105)83-53(96)32(11-29-16-66-24-69-29)76-50(93)31(8-9-42(63)86)75-52(95)34(14-44(65)88)77-51(94)33(13-43(64)87)73-46(90)18-68-48(91)27(3)71-55(98)38(21-107)80-49(92)28(4)72-58(101)41-7-6-10-84(41)60(103)35(12-30-17-67-25-70-30)78-54(97)36(19-85)79-57(100)39(22-108)81-56(99)37(20-106)74-45(89)15-62/h16-17,24-28,31-41,47,85,106-109H,5-15,18-23,62H2,1-4H3,(H2,63,86)(H2,64,87)(H2,65,88)(H,66,69)(H,67,70)(H,68,91)(H,71,98)(H,72,101)(H,73,90)(H,74,89)(H,75,95)(H,76,93)(H,77,94)(H,78,97)(H,79,100)(H,80,92)(H,81,99)(H,82,102)(H,83,96)(H,104,105)/t26-,27-,28-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,47-/m0/s1 | PDB
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Boise State University
Curated by ChEMBL
| Assay Description
Inhibition of alpha3beta2 nAChR |
Bioorg Med Chem 17: 5894-9 (2009)
Article DOI: 10.1016/j.bmc.2009.07.005
BindingDB Entry DOI: 10.7270/Q2474DN8 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50484563
(CHEMBL1934173)Show InChI InChI=1S/C19H11FN2O2/c20-13-4-1-11(2-5-13)18-15-7-8-21-10-16(15)14-6-3-12(19(23)24)9-17(14)22-18/h1-10H,(H,23,24) | PDB
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Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50484558
(CHEMBL1934164)Show InChI InChI=1S/C19H11FN2O2/c20-13-3-1-2-11(8-13)18-15-6-7-21-10-16(15)14-5-4-12(19(23)24)9-17(14)22-18/h1-10H,(H,23,24) | PDB
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Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Homo sapiens (Human)) | BDBM50170592
(CHEMBL411146)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C=O Show InChI InChI=1S/C74H124N26O20S4/c1-36(2)26-45(62(111)91-46(27-40-17-19-42(104)20-18-40)63(112)94-48(32-121)59(108)85-29-55(106)88-43(13-8-22-83-73(78)79)61(110)90-44(14-9-23-84-74(80)81)60(109)87-41(30-101)12-7-21-82-72(76)77)92-69(118)56(37(3)4)97-58(107)38(5)86-65(114)50(34-123)96-68(117)52-15-10-24-99(52)70(119)53-16-11-25-100(53)71(120)57(39(6)103)98-64(113)47(31-102)93-67(116)51(35-124)95-66(115)49(33-122)89-54(105)28-75/h17-20,30,36-39,41,43-53,56-57,102-104,121-124H,7-16,21-29,31-35,75H2,1-6H3,(H,85,108)(H,86,114)(H,87,109)(H,88,106)(H,89,105)(H,90,110)(H,91,111)(H,92,118)(H,93,116)(H,94,112)(H,95,115)(H,96,117)(H,97,107)(H,98,113)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t38-,39+,41-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-,57-/m0/s1 | PDB
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The Danish University of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta2; Range is 0.3-1.5 nM |
J Med Chem 48: 4705-45 (2005)
Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Homo sapiens (Human)) | BDBM50081733
(3-(3-Methyl-isoxazol-5-ylmethylene)-1-aza-bicyclo[...)Show SMILES Cc1cc(\C=C2/CN3CCC2CC3)on1 |THB:4:5:11.12:9.8,(26.44,-10.99,;26.13,-9.47,;24.73,-8.83,;24.91,-7.3,;23.77,-6.26,;22.3,-6.71,;22.6,-8.11,;21.23,-7.48,;19.68,-8.13,;19.47,-6.75,;20.96,-6.11,;21.02,-4.47,;21.48,-5.59,;26.43,-6.99,;27.19,-8.35,)| Show InChI InChI=1S/C12H16N2O/c1-9-6-12(15-13-9)7-11-8-14-4-2-10(11)3-5-14/h6-7,10H,2-5,8H2,1H3/b11-7+ | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration required for in vitro binding affinity to Nicotinic acetylcholine receptor alpha3-beta2 expressed on cell line sf 9 by using... |
Bioorg Med Chem Lett 7: 1963-1968 (1997)
Article DOI: 10.1016/S0960-894X(97)00347-8
BindingDB Entry DOI: 10.7270/Q2J67GX6 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50484575
(CHEMBL1934319)Show SMILES OC(=O)c1ccc2c(c1)nc(Cc1cccc(Cl)c1)c1ccncc21 Show InChI InChI=1S/C20H13ClN2O2/c21-14-3-1-2-12(8-14)9-18-16-6-7-22-11-17(16)15-5-4-13(20(24)25)10-19(15)23-18/h1-8,10-11H,9H2,(H,24,25) | PDB
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Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50484559
(CHEMBL1934165)Show InChI InChI=1S/C19H13N3O2/c20-13-3-1-2-11(8-13)18-15-6-7-21-10-16(15)14-5-4-12(19(23)24)9-17(14)22-18/h1-10H,20H2,(H,23,24) | PDB
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| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50484557
(CHEMBL1934163)Show SMILES OC(=O)c1ccc2c(c1)nc(-c1cccc(Cl)c1)c1ccncc21 Show InChI InChI=1S/C19H11ClN2O2/c20-13-3-1-2-11(8-13)18-15-6-7-21-10-16(15)14-5-4-12(19(23)24)9-17(14)22-18/h1-10H,(H,23,24) | PDB
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Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Homo sapiens (Human)) | BDBM50481211
(CHEMBL595312)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C65H107N21O22S4/c1-6-30(4)49(60(103)72-31(5)50(93)75-34(20-45(67)88)52(95)78-36(21-46(68)89)62(105)84-16-8-12-42(84)58(101)77-35(22-48(91)92)53(96)76-33(19-29(2)3)51(94)82-41(28-112)64(107)108)83-57(100)40(27-111)81-59(102)43-13-9-17-85(43)63(106)44-14-10-18-86(44)61(104)32(11-7-15-71-65(69)70)74-54(97)37(24-87)79-56(99)39(26-110)80-55(98)38(25-109)73-47(90)23-66/h29-44,49,87,109-112H,6-28,66H2,1-5H3,(H2,67,88)(H2,68,89)(H,72,103)(H,73,90)(H,74,97)(H,75,93)(H,76,96)(H,77,101)(H,78,95)(H,79,99)(H,80,98)(H,81,102)(H,82,94)(H,83,100)(H,91,92)(H,107,108)(H4,69,70,71)/t30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,49-/m0/s1 | PDB
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| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Boise State University
Curated by ChEMBL
| Assay Description
Inhibition of alpha3beta2 nAChR |
Bioorg Med Chem 17: 5894-9 (2009)
Article DOI: 10.1016/j.bmc.2009.07.005
BindingDB Entry DOI: 10.7270/Q2474DN8 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50484562
(CHEMBL1934171)Show SMILES NC(=O)c1cccc(c1)-c1nc2cc(ccc2c2cnccc12)C(O)=O Show InChI InChI=1S/C20H13N3O3/c21-19(24)12-3-1-2-11(8-12)18-15-6-7-22-10-16(15)14-5-4-13(20(25)26)9-17(14)23-18/h1-10H,(H2,21,24)(H,25,26) | PDB
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| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50484582
(CHEMBL1934178)Show InChI InChI=1S/C18H11N3O3/c22-12-3-1-2-10(6-12)16-17-14(8-19-9-20-17)13-5-4-11(18(23)24)7-15(13)21-16/h1-9,22H,(H,23,24) | PDB
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| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50484574
(CHEMBL1934193)Show SMILES OC(=O)c1ccc2c(c1)nc(Oc1cccc(Cl)c1)c1ccncc21 Show InChI InChI=1S/C19H11ClN2O3/c20-12-2-1-3-13(9-12)25-18-15-6-7-21-10-16(15)14-5-4-11(19(23)24)8-17(14)22-18/h1-10H,(H,23,24) | PDB
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| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Homo sapiens (Human)) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 | PDB
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| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration required for in vitro binding affinity to Nicotinic acetylcholine receptor alpha3-beta2 expressed on cell line sf 9 by using... |
Bioorg Med Chem Lett 7: 1963-1968 (1997)
Article DOI: 10.1016/S0960-894X(97)00347-8
BindingDB Entry DOI: 10.7270/Q2J67GX6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50484583
(CHEMBL1934183)Show InChI InChI=1S/C18H12N2O2S/c1-10-8-23-9-15(10)17-13-4-5-19-7-14(13)12-3-2-11(18(21)22)6-16(12)20-17/h2-9H,1H3,(H,21,22) | PDB
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| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Homo sapiens (Human)) | BDBM50170584
(CHEMBL411145)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)NC(CCC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC(O)CC1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(N)=O Show InChI InChI=1S/C83H137N31O28S4/c1-8-36(6)60(87)77(138)100-40(12-9-17-94-82(89)90)65(126)101-45(25-59(122)123)69(130)99-42(15-16-58(120)121)66(127)109-52(32-146)74(135)110-51(31-145)73(134)106-48(28-115)71(132)105-46(23-56(85)118)80(141)113-19-11-14-53(113)75(136)97-37(7)64(125)108-50(30-144)72(133)98-41(13-10-18-95-83(91)92)67(128)111-61(34(2)3)78(139)103-44(22-55(84)117)68(129)104-47(24-57(86)119)81(142)114-27-39(116)21-54(114)76(137)102-43(20-38-26-93-33-96-38)70(131)112-62(35(4)5)79(140)107-49(29-143)63(88)124/h26,33-37,39-54,60-62,115-116,143-146H,8-25,27-32,87H2,1-7H3,(H2,84,117)(H2,85,118)(H2,86,119)(H2,88,124)(H,93,96)(H,97,136)(H,98,133)(H,99,130)(H,100,138)(H,101,126)(H,102,137)(H,103,139)(H,104,129)(H,105,132)(H,106,134)(H,107,140)(H,108,125)(H,109,127)(H,110,135)(H,111,128)(H,112,131)(H,120,121)(H,122,123)(H4,89,90,94)(H4,91,92,95)/t36-,37-,39?,40-,41-,42?,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54?,60-,61-,62-/m0/s1 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta2; Range is 3-5 nM |
J Med Chem 48: 4705-45 (2005)
Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3
(Homo sapiens (Human)) | BDBM50567435
(CHEMBL4872191)Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2 |r| | PDB
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| Article
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| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human alpha6/alpha3beta2beta3 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current respons... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01973
BindingDB Entry DOI: 10.7270/Q2CN77P3 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50484561
(CHEMBL1934168)Show SMILES OC(=O)c1ccc2c(c1)nc(-c1cccc(OC(F)(F)F)c1)c1ccncc21 Show InChI InChI=1S/C20H11F3N2O3/c21-20(22,23)28-13-3-1-2-11(8-13)18-15-6-7-24-10-16(15)14-5-4-12(19(26)27)9-17(14)25-18/h1-10H,(H,26,27) | PDB
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| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Homo sapiens (Human)) | BDBM50481207
(CHEMBL595286)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C54H85N13O17S4/c1-25(2)17-31(44(73)58-32(18-29-11-13-30(70)14-12-29)45(74)63-37(24-88)54(83)84)59-51(80)41(26(3)4)64-43(72)27(5)56-47(76)35(22-86)62-50(79)38-9-7-15-66(38)52(81)39-10-8-16-67(39)53(82)42(28(6)69)65-46(75)33(20-68)60-49(78)36(23-87)61-48(77)34(21-85)57-40(71)19-55/h11-14,25-28,31-39,41-42,68-70,85-88H,7-10,15-24,55H2,1-6H3,(H,56,76)(H,57,71)(H,58,73)(H,59,80)(H,60,78)(H,61,77)(H,62,79)(H,63,74)(H,64,72)(H,65,75)(H,83,84)/t27-,28+,31-,32-,33-,34-,35-,36-,37-,38-,39-,41-,42-/m0/s1 | PDB
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| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Boise State University
Curated by ChEMBL
| Assay Description
Inhibition of alpha3beta2 nAChR |
Bioorg Med Chem 17: 5894-9 (2009)
Article DOI: 10.1016/j.bmc.2009.07.005
BindingDB Entry DOI: 10.7270/Q2474DN8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Homo sapiens (Human)) | BDBM50140087
(CHEMBL265198 | GCCSNPVCHLEHSNLC*)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(C)C)C(=O)N[C@@H](CS)C(N)=O Show InChI InChI=1S/C67H107N23O22S4/c1-29(2)12-35(55(100)77-34(9-10-51(96)97)54(99)80-38(15-33-20-73-28-75-33)58(103)84-41(21-91)60(105)82-39(16-48(69)93)59(104)79-36(13-30(3)4)56(101)86-43(23-113)53(71)98)78-57(102)37(14-32-19-72-27-74-32)81-63(108)46(26-116)88-66(111)52(31(5)6)89-65(110)47-8-7-11-90(47)67(112)40(17-49(70)94)83-61(106)42(22-92)85-64(109)45(25-115)87-62(107)44(24-114)76-50(95)18-68/h19-20,27-31,34-47,52,91-92,113-116H,7-18,21-26,68H2,1-6H3,(H2,69,93)(H2,70,94)(H2,71,98)(H,72,74)(H,73,75)(H,76,95)(H,77,100)(H,78,102)(H,79,104)(H,80,99)(H,81,108)(H,82,105)(H,83,106)(H,84,103)(H,85,109)(H,86,101)(H,87,107)(H,88,111)(H,89,110)(H,96,97)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-/m0/s1 | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta2; Range is 0.5-8 nM |
J Med Chem 48: 4705-45 (2005)
Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Homo sapiens (Human)) | BDBM50481208
(CHEMBL594330)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C65H104N22O21S4/c1-28(2)11-34(52(94)73-31(7)51(93)75-36(13-32-18-69-26-71-32)55(97)81-40(20-88)57(99)79-38(15-47(67)90)56(98)77-35(12-29(3)4)53(95)85-45(25-112)65(107)108)76-54(96)37(14-33-19-70-27-72-33)78-60(102)44(24-111)84-63(105)50(30(5)6)86-62(104)46-9-8-10-87(46)64(106)39(16-48(68)91)80-58(100)41(21-89)82-61(103)43(23-110)83-59(101)42(22-109)74-49(92)17-66/h18-19,26-31,34-46,50,88-89,109-112H,8-17,20-25,66H2,1-7H3,(H2,67,90)(H2,68,91)(H,69,71)(H,70,72)(H,73,94)(H,74,92)(H,75,93)(H,76,96)(H,77,98)(H,78,102)(H,79,99)(H,80,100)(H,81,97)(H,82,103)(H,83,101)(H,84,105)(H,85,95)(H,86,104)(H,107,108)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,50-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Boise State University
Curated by ChEMBL
| Assay Description
Inhibition of alpha3beta2 nAChR |
Bioorg Med Chem 17: 5894-9 (2009)
Article DOI: 10.1016/j.bmc.2009.07.005
BindingDB Entry DOI: 10.7270/Q2474DN8 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50484573
(CHEMBL1934192)Show SMILES CN(c1cccc(Cl)c1)c1nc2cc(ccc2c2cnccc12)C(O)=O Show InChI InChI=1S/C20H14ClN3O2/c1-24(14-4-2-3-13(21)10-14)19-16-7-8-22-11-17(16)15-6-5-12(20(25)26)9-18(15)23-19/h2-11H,1H3,(H,25,26) | PDB
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| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Homo sapiens (Human)) | BDBM50170600
((3S)-3-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O Show InChI InChI=1S/C65H99N19O22S4/c1-29(2)18-37(76-57(98)39(24-85)78-60(101)43(28-110)80-59(100)41(26-108)72-49(89)23-66)63(104)84-17-7-10-46(84)65(106)83-16-6-9-45(83)62(103)81-42(27-109)58(99)71-30(3)52(93)70-31(4)53(94)73-35(20-47(67)87)55(96)77-38(21-48(68)88)64(105)82-15-5-8-44(82)61(102)75-36(22-50(90)91)56(97)74-34(19-32-11-13-33(86)14-12-32)54(95)79-40(25-107)51(69)92/h11-14,29-31,34-46,85-86,107-110H,5-10,15-28,66H2,1-4H3,(H2,67,87)(H2,68,88)(H2,69,92)(H,70,93)(H,71,99)(H,72,89)(H,73,94)(H,74,97)(H,75,102)(H,76,98)(H,77,96)(H,78,101)(H,79,95)(H,80,100)(H,81,103)(H,90,91)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1 | PDB
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| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
The Danish University of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta2 |
J Med Chem 48: 4705-45 (2005)
Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50484580
(CHEMBL1934170)Show SMILES NS(=O)(=O)c1cccc(c1)-c1nc2cc(ccc2c2cnccc12)C(O)=O Show InChI InChI=1S/C19H13N3O4S/c20-27(25,26)13-3-1-2-11(8-13)18-15-6-7-21-10-16(15)14-5-4-12(19(23)24)9-17(14)22-18/h1-10H,(H,23,24)(H2,20,25,26) | PDB
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Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Homo sapiens (Human)) | BDBM50481210
(CHEMBL609594)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(C)C)C(=O)N[C@@H](CS)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C67H104N24O22S4/c1-6-30(4)52(65(111)87-40(23-114)54(100)74-21-50(97)98)89-56(102)34(13-32-19-72-27-75-32)80-63(109)45-10-8-12-91(45)67(113)38(17-48(71)95)83-55(101)35(15-46(69)93)81-64(110)51(29(2)3)88-57(103)36(16-47(70)94)79-60(106)42(25-116)85-53(99)31(5)77-62(108)44-9-7-11-90(44)66(112)37(14-33-20-73-28-76-33)82-58(104)39(22-92)84-61(107)43(26-117)86-59(105)41(24-115)78-49(96)18-68/h19-20,27-31,34-45,51-52,92,114-117H,6-18,21-26,68H2,1-5H3,(H2,69,93)(H2,70,94)(H2,71,95)(H,72,75)(H,73,76)(H,74,100)(H,77,108)(H,78,96)(H,79,106)(H,80,109)(H,81,110)(H,82,104)(H,83,101)(H,84,107)(H,85,99)(H,86,105)(H,87,111)(H,88,103)(H,89,102)(H,97,98)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,51-,52-/m0/s1 | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Boise State University
Curated by ChEMBL
| Assay Description
Inhibition of alpha3beta2 nAChR |
Bioorg Med Chem 17: 5894-9 (2009)
Article DOI: 10.1016/j.bmc.2009.07.005
BindingDB Entry DOI: 10.7270/Q2474DN8 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/alpha-5/beta-2
(Homo sapiens (Human)) | BDBM50241748
(CHEMBL518059 | dihydro-beta-erythroidine)Show SMILES CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1 |r,t:4,11| Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16+/m0/s1 | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Chile
Curated by ChEMBL
| Assay Description
Antagonist activity at (alpha4beta2)2alpha5 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre... |
Bioorg Med Chem 21: 2687-94 (2013)
Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50484565
(CHEMBL1934177)Show SMILES OC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ncncc21 Show InChI InChI=1S/C18H10ClN3O2/c19-12-4-1-10(2-5-12)16-17-14(8-20-9-21-17)13-6-3-11(18(23)24)7-15(13)22-16/h1-9H,(H,23,24) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50484576
(CHEMBL1934169)Show SMILES CS(=O)(=O)c1cccc(c1)-c1nc2cc(ccc2c2cnccc12)C(O)=O Show InChI InChI=1S/C20H14N2O4S/c1-27(25,26)14-4-2-3-12(9-14)19-16-7-8-21-11-17(16)15-6-5-13(20(23)24)10-18(15)22-19/h2-11H,1H3,(H,23,24) | PDB
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Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Homo sapiens (Human)) | BDBM50083075
(3-(3-Methyl-isoxazol-5-ylmethylene)-1-aza-bicyclo[...)Show InChI InChI=1S/C11H14N2O/c1-8-4-11(14-12-8)5-10-7-13-3-2-9(10)6-13/h4-5,9H,2-3,6-7H2,1H3/b10-5- | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration required for in vitro binding affinity to Nicotinic acetylcholine receptor alpha3-beta2 expressed on cell line sf 9 by using... |
Bioorg Med Chem Lett 7: 1963-1968 (1997)
Article DOI: 10.1016/S0960-894X(97)00347-8
BindingDB Entry DOI: 10.7270/Q2J67GX6 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Homo sapiens (Human)) | BDBM50083057
(3-(3-Methyl-isoxazol-5-ylmethylene)-1-aza-bicyclo[...)Show InChI InChI=1S/C11H14N2O/c1-8-4-11(14-12-8)5-10-7-13-3-2-9(10)6-13/h4-5,9H,2-3,6-7H2,1H3/b10-5+ | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration required for in vitro binding affinity to Nicotinic acetylcholine receptor alpha3-beta2 expressed on cell line Sf 9 by using... |
Bioorg Med Chem Lett 7: 1963-1968 (1997)
Article DOI: 10.1016/S0960-894X(97)00347-8
BindingDB Entry DOI: 10.7270/Q2J67GX6 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50484564
(CHEMBL1934176)Show InChI InChI=1S/C19H11FN2O2/c20-16-4-2-1-3-14(16)18-13-7-8-21-10-15(13)12-6-5-11(19(23)24)9-17(12)22-18/h1-10H,(H,23,24) | PDB
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Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50484566
(CHEMBL1934179)Show SMILES NC(=O)c1cccc(c1)-c1nc2cc(ccc2c2cncnc12)C(O)=O Show InChI InChI=1S/C19H12N4O3/c20-18(24)11-3-1-2-10(6-11)16-17-14(8-21-9-22-17)13-5-4-12(19(25)26)7-15(13)23-16/h1-9H,(H2,20,24)(H,25,26) | PDB
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Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50484586
(CHEMBL1934174)Show InChI InChI=1S/C20H14N2O2/c1-12-4-2-3-5-14(12)19-16-8-9-21-11-17(16)15-7-6-13(20(23)24)10-18(15)22-19/h2-11H,1H3,(H,23,24) | PDB
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Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha'/beta
(Homo sapiens (Human)) | BDBM50484587
(CHEMBL1934189)Show SMILES Clc1ccc(cc1)-c1nc2cc(ccc2c2cnccc12)-c1nnn[nH]1 Show InChI InChI=1S/C19H11ClN6/c20-13-4-1-11(2-5-13)18-15-7-8-21-10-16(15)14-6-3-12(9-17(14)22-18)19-23-25-26-24-19/h1-10H,(H,23,24,25,26) | PDB
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Cylene Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay |
Bioorg Med Chem Lett 22: 45-8 (2012)
Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Homo sapiens (Human)) | BDBM50601896
(CHEMBL5203781)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)NC(CN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00494
BindingDB Entry DOI: 10.7270/Q2SB49T6 |
More data for this
Ligand-Target Pair | |
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