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Compile Data Set for Download or QSAR

Found 196 hits of affinity data for UniProtKB/TrEMBL: P58154   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50088453
PNG
(1-(6-Bromo-5-ethoxy-pyridin-3-yl)-[1,4]diazepane |...)
Show SMILES CCOc1cc(cnc1Br)N1CCCNCC1
Show InChI InChI=1S/C12H18BrN3O/c1-2-17-11-8-10(9-15-12(11)13)16-6-3-4-14-5-7-16/h8-9,14H,2-7H2,1H3
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PubMed
0.0670n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50143314
PNG
((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...)
Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2
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/t8-,9+,10+/m0/s1
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PubMed
0.0970n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM91624
PNG
(4t | alpha7 agonists 4t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2cc(=O)n(C)c3ccccc23)nn1
Show InChI InChI=1S/C21H25N5O2/c1-24-15-7-8-16(24)10-17(9-15)26-12-14(22-23-26)13-28-20-11-21(27)25(2)19-6-4-3-5-18(19)20/h3-6,11-12,15-17H,7-10,13H2,1-2H3/t15-,16+,17-
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1.30 -49.9n/an/an/an/an/a7.420



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50088454
PNG
(1-(6-Bromo-pyridin-3-yl)-[1,4]diazepane | 1-(6-bro...)
Show SMILES Brc1ccc(cn1)N1CCCNCC1
Show InChI InChI=1S/C10H14BrN3/c11-10-3-2-9(8-13-10)14-6-1-4-12-5-7-14/h2-3,8,12H,1,4-7H2
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1.30n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM91603
PNG
(4' | alpha7 agonists 4')
Show SMILES CN1CC=C(OCc2cnnn2C2CC3CCC(C2)[N+]3(C)C)c2ccccc12
Show InChI InChI=1S/C22H30N5O/c1-25-11-10-22(20-6-4-5-7-21(20)25)28-15-17-14-23-24-26(17)16-12-18-8-9-19(13-16)27(18,2)3/h4-7,10,14,16,18-19H,8-9,11-13,15H2,1-3H3/q+1
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2 -48.8n/an/an/an/an/a7.420



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM92377
PNG
(NS3573, 2)
Show SMILES CCOc1cncc(c1)N1CCCNCC1
Show InChI InChI=1S/C12H19N3O/c1-2-16-12-8-11(9-14-10-12)15-6-3-4-13-5-7-15/h8-10,13H,2-7H2,1H3
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2.20n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50088438
PNG
(1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...)
Show SMILES C1CNCCN(C1)c1cccnc1
Show InChI InChI=1S/C10H15N3/c1-3-10(9-12-4-1)13-7-2-5-11-6-8-13/h1,3-4,9,11H,2,5-8H2
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PubMed
3.10n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM91615
PNG
(15q | alpha7 agonists 15q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CSc2nc3ccccc3s2)nn1
Show InChI InChI=1S/C19H24N5S2/c1-24(2)15-7-8-16(24)10-14(9-15)23-11-13(21-22-23)12-25-19-20-17-5-3-4-6-18(17)26-19/h3-6,11,14-16H,7-10,12H2,1-2H3/q+1/t14-,15-,16+
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4 -47.1n/an/an/an/an/a7.420



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM86311
PNG
(CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407)
Show SMILES O=c1cccc2C3CNCC(C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2
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8.20n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50088437
PNG
(1-(5-Phenyl-pyridin-3-yl)-[1,4]diazepane | CHEMBL3...)
Show SMILES C1CNCCN(C1)c1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C16H19N3/c1-2-5-14(6-3-1)15-11-16(13-18-12-15)19-9-4-7-17-8-10-19/h1-3,5-6,11-13,17H,4,7-10H2
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8.90n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50382466
PNG
(CHEMBL2024087)
Show SMILES OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C14H20N2O2/c17-4-2-10-6-14(10)11-5-13(8-15-7-11)18-9-12-1-3-16-12/h5,7-8,10,12,14,16-17H,1-4,6,9H2/t10-,12-,14-/m0/s1
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12.8n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis AChBP


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50393247
PNG
(CHEMBL1258006)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1
Show InChI InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21+/m0/s1
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14.4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50417105
PNG
(CHEMBL1258240)
Show SMILES Brc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)cc1
Show InChI InChI=1S/C20H22BrN3O2/c21-16-3-5-17(6-4-16)23-20(25)26-19-15-7-10-24(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18-,19+/m0/s1
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18.2n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM91613
PNG
(13q | alpha7 agonists 13q)
Show SMILES COc1ccc(C=O)c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c1
Show InChI InChI=1S/C20H27N4O3/c1-24(2)17-5-6-18(24)9-16(8-17)23-11-15(21-22-23)13-27-20-10-19(26-3)7-4-14(20)12-25/h4,7,10-12,16-18H,5-6,8-9,13H2,1-3H3/q+1/t16-,17-,18+
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20 -43.2n/an/an/an/an/a7.420



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50382467
PNG
(CHEMBL2024089)
Show SMILES CNC(=O)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C16H23N3O3/c1-17-16(20)21-5-3-11-7-15(11)12-6-14(9-18-8-12)22-10-13-2-4-19-13/h6,8-9,11,13,15,19H,2-5,7,10H2,1H3,(H,17,20)/t11-,13-,15-/m0/s1
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22n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis AChBP


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM91601
PNG
(3' | alpha7 agonists 3')
Show SMILES O=c1cc(OCc2cnnn2CC[N+]23CCC(CC2)CC3)c2ccccc2[nH]1
Show InChI InChI=1S/C21H25N5O2/c27-21-13-20(18-3-1-2-4-19(18)23-21)28-15-17-14-22-24-25(17)8-12-26-9-5-16(6-10-26)7-11-26/h1-4,13-14,16H,5-12,15H2/p+1
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24 -42.8n/an/an/an/an/a7.420



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM91629
PNG
(14t | alpha7 agonists 14t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2-c2ccno2)nn1
Show InChI InChI=1S/C20H23N5O2/c1-24-15-6-7-16(24)11-17(10-15)25-12-14(22-23-25)13-26-19-5-3-2-4-18(19)20-8-9-21-27-20/h2-5,8-9,12,15-17H,6-7,10-11,13H2,1H3/t15-,16+,17-
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25 -42.7n/an/an/an/an/a7.420



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM91628
PNG
(13t | alpha7 agonists 13t)
Show SMILES COc1ccc(C=O)c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)N3C)c1
Show InChI InChI=1S/C19H24N4O3/c1-22-15-4-5-16(22)8-17(7-15)23-10-14(20-21-23)12-26-19-9-18(25-2)6-3-13(19)11-24/h3,6,9-11,15-17H,4-5,7-8,12H2,1-2H3/t15-,16+,17-
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26 -42.6n/an/an/an/an/a7.420



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM91633
PNG
(18t | alpha7 agonists 18t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2C2CCCC2)nn1
Show InChI InChI=1S/C22H30N4O/c1-25-18-10-11-19(25)13-20(12-18)26-14-17(23-24-26)15-27-22-9-5-4-8-21(22)16-6-2-3-7-16/h4-5,8-9,14,16,18-20H,2-3,6-7,10-13,15H2,1H3/t18-,19+,20-
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30 -42.2n/an/an/an/an/a7.420



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419742
PNG
(CHEMBL1947055)
Show SMILES C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C23H28NO2/c1-24(15-14-18-8-4-2-5-9-18)20-12-13-21(24)17-22(16-20)26-23(25)19-10-6-3-7-11-19/h2-11,20-22H,12-17H2,1H3/q+1/t20-,21+,22+,24?
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31.6n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419740
PNG
(CHEMBL1946189)
Show SMILES C[N+]1(CCc2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C31H36NO/c1-32(20-19-23-9-3-2-4-10-23)26-17-18-27(32)22-28(21-26)33-31-29-13-7-5-11-24(29)15-16-25-12-6-8-14-30(25)31/h2-14,26-28,31H,15-22H2,1H3/q+1/t26-,27+,28+,32?
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PubMed
39.8n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM91621
PNG
(21q | alpha7 agonists 21q)
Show SMILES Cc1cc(C)nc(SCCCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)n1
Show InChI InChI=1S/C20H31N6S/c1-14-10-15(2)22-20(21-14)27-9-5-6-16-13-25(24-23-16)17-11-18-7-8-19(12-17)26(18,3)4/h10,13,17-19H,5-9,11-12H2,1-4H3/q+1/t17-,18-,19+
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40 -41.5n/an/an/an/an/a7.420



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM91599
PNG
(2' | alpha7 agonists 2')
Show SMILES CCC[N+](C)(C)CCn1nncc1COc1cc(=O)n(C)c2ccccc12
Show InChI InChI=1S/C20H28N5O2/c1-5-11-25(3,4)12-10-24-16(14-21-22-24)15-27-19-13-20(26)23(2)18-9-7-6-8-17(18)19/h6-9,13-14H,5,10-12,15H2,1-4H3/q+1
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40 -41.5n/an/an/an/an/a7.420



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM91630
PNG
(15t | alpha7 agonists 15t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CSc2nc3ccccc3s2)nn1
Show InChI InChI=1S/C18H21N5S2/c1-22-13-6-7-14(22)9-15(8-13)23-10-12(20-21-23)11-24-18-19-16-4-2-3-5-17(16)25-18/h2-5,10,13-15H,6-9,11H2,1H3/t13-,14+,15-
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40 -41.5n/an/an/an/an/a7.420



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50253820
PNG
((1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,42S,48S,...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2
Show InChI InChI=1S/C68H100N18O23S4/c1-31(2)19-36-55(95)76-38(22-50(70)89)57(97)79-41(23-51(71)90)66(106)84-16-6-9-47(84)63(103)77-39(24-53(92)93)58(98)75-37(21-34-12-14-35(88)15-13-34)56(96)83-46(68(108)109)30-113-112-29-45-62(102)80-42(26-87)59(99)78-40(20-32(3)4)65(105)86-18-8-11-49(86)67(107)85-17-7-10-48(85)64(104)82-44(60(100)72-33(5)54(94)74-36)28-111-110-27-43(61(101)81-45)73-52(91)25-69/h12-15,31-33,36-49,87-88H,6-11,16-30,69H2,1-5H3,(H2,70,89)(H2,71,90)(H,72,100)(H,73,91)(H,74,94)(H,75,98)(H,76,95)(H,77,103)(H,78,99)(H,79,97)(H,80,102)(H,81,101)(H,82,104)(H,83,96)(H,92,93)(H,108,109)/t33-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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43n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis AChBP


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50425041
PNG
(CHEMBL2312565)
Show SMILES C[C@H](CCOc1nccn1C)N(C)C
Show InChI InChI=1S/C10H19N3O/c1-9(12(2)3)5-8-14-10-11-6-7-13(10)4/h6-7,9H,5,8H2,1-4H3/t9-/m1/s1
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45n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis AChBP linked to ion channel portion of 5-HT3A receptor expressed in HEK293 cells after 4 hrs b...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM91620
PNG
(20q | alpha7 agonists 20q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C24H27N4O/c1-28(2)17-11-12-18(28)14-16(13-17)27-15-23(25-26-27)24(29)21-9-5-3-7-19(21)20-8-4-6-10-22(20)24/h3-10,15-18,29H,11-14H2,1-2H3/q+1/t16-,17-,18+
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50 -41.0n/an/an/an/an/a7.420



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM91614
PNG
(14q | alpha7 agonists 14q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2-c2ccno2)nn1
Show InChI InChI=1S/C21H26N5O2/c1-26(2)17-7-8-18(26)12-16(11-17)25-13-15(23-24-25)14-27-20-6-4-3-5-19(20)21-9-10-22-28-21/h3-6,9-10,13,16-18H,7-8,11-12,14H2,1-2H3/q+1/t16-,17-,18+
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50 -41.0n/an/an/an/an/a7.420



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM91707
PNG
(alpha7 agonists 1')
Show SMILES Cn1nncc1COc1cc(=O)n(C)c2ccccc12
Show InChI InChI=1S/C14H14N4O2/c1-17-12-6-4-3-5-11(12)13(7-14(17)19)20-9-10-8-15-16-18(10)2/h3-8H,9H2,1-2H3
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60 -40.5n/an/an/an/an/a7.420



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50417090
PNG
(CHEMBL1258126)
Show SMILES O=C(Nc1ccccc1)O[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C20H23N3O2/c24-20(22-17-6-2-1-3-7-17)25-19-16-8-11-23(12-9-16)18(19)13-15-5-4-10-21-14-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,22,24)/t18-,19+/m0/s1
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61.7n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
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
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63.1n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50267844
PNG
(3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylox...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C24H30NO/c1-25(2)19-13-14-20(25)16-21(15-19)26-24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24/h3-10,19-21,24H,11-16H2,1-2H3/q+1
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63.1n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM91618
PNG
(18q | alpha7 agonists 18q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2C2CCCC2)nn1
Show InChI InChI=1S/C23H33N4O/c1-27(2)20-11-12-21(27)14-19(13-20)26-15-18(24-25-26)16-28-23-10-6-5-9-22(23)17-7-3-4-8-17/h5-6,9-10,15,17,19-21H,3-4,7-8,11-14,16H2,1-2H3/q+1/t19-,20-,21+
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70 -40.2n/an/an/an/an/a7.420



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50425042
PNG
((R)-3-(Dimethylamino)Butyl Dimethylcarbamate | CHE...)
Show SMILES C[C@H](CCOC(=O)N(C)C)N(C)C
Show InChI InChI=1S/C9H20N2O2/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3/t8-/m1/s1
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79n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis AChBP linked to ion channel portion of 5-HT3A receptor expressed in HEK293 cells after 4 hrs b...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419732
PNG
(CHEMBL1947053)
Show SMILES O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c24-22(18-9-5-2-6-10-18)25-21-15-19-11-12-20(16-21)23(19)14-13-17-7-3-1-4-8-17/h1-10,19-21H,11-16H2/t19-,20+,21+
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79.4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
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
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83n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis AChBP linked to ion channel portion of 5-HT3A receptor expressed in HEK293 cells after 4 hrs b...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
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
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83n/an/an/an/an/an/an/an/a



University of Copenhagen



Assay Description
Binding affinities for alpha 4 beta 2 nAChR were determined in tissue suspension of rat cortical membranes using 1 nM [3H]cytisine. Binding affiniti...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50393248
PNG
(CHEMBL1258005)
Show SMILES Brc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
Show InChI InChI=1S/C20H22BrN3O/c21-17-5-3-16(4-6-17)20(25)23-19-15-7-10-24(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18-,19+/m0/s1
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89.1n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413516
PNG
(CHEMBL522249)
Show SMILES CN1C2CCC1CC(C2)OC(=O)COC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C25H29NO3/c1-26-19-12-13-20(26)15-21(14-19)29-24(27)16-28-25-22-8-4-2-6-17(22)10-11-18-7-3-5-9-23(18)25/h2-9,19-21,25H,10-16H2,1H3
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100n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50267883
PNG
(8-Benzyl-3-(10,11-dihydro-5H-dibenzo[a,d]cyclohept...)
Show SMILES C(N1C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12)c1ccccc1
Show InChI InChI=1S/C29H31NO/c1-2-8-21(9-3-1)20-30-24-16-17-25(30)19-26(18-24)31-29-27-12-6-4-10-22(27)14-15-23-11-5-7-13-28(23)29/h1-13,24-26,29H,14-20H2
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100n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419738
PNG
(CHEMBL1947206)
Show SMILES Oc1cccc(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)OC(=O)c2ccccc2)c1
Show InChI InChI=1S/C22H25NO3/c24-20-8-4-5-16(13-20)11-12-23-18-9-10-19(23)15-21(14-18)26-22(25)17-6-2-1-3-7-17/h1-8,13,18-19,21,24H,9-12,14-15H2/t18-,19+,21+
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100n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419746
PNG
(CHEMBL1946188)
Show SMILES C(Cc1ccccc1)N1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C30H33NO/c1-2-8-22(9-3-1)18-19-31-25-16-17-26(31)21-27(20-25)32-30-28-12-6-4-10-23(28)14-15-24-11-5-7-13-29(24)30/h1-13,25-27,30H,14-21H2/t25-,26+,27+
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100n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM91619
PNG
(19q | alpha7 agonists 19q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C(O)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C19H24F3N4O/c1-26(2)15-8-9-16(26)11-14(10-15)25-12-17(23-24-25)18(27,19(20,21)22)13-6-4-3-5-7-13/h3-7,12,14-16,27H,8-11H2,1-2H3/q+1/t14-,15-,16+,18?
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120 -38.8n/an/an/an/an/a7.420



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50253821
PNG
((1R,6R,9S,12S,15S,21S,24S,27S,30S,33R,36S,42S,48S,...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O)C(O)=O
Show InChI InChI=1S/C65H94N18O23S4/c1-29(2)18-37-62(102)83-17-7-10-46(83)64(104)82-16-6-9-45(82)61(101)79-41-26-108-107-25-40(71-49(88)23-66)58(98)78-42(59(99)77-39(24-84)56(96)75-37)27-109-110-28-43(65(105)106)80-53(93)34(19-32-11-13-33(85)14-12-32)73-55(95)36(22-50(89)90)74-60(100)44-8-5-15-81(44)63(103)38(21-48(68)87)76-54(94)35(20-47(67)86)72-52(92)31(4)69-51(91)30(3)70-57(41)97/h11-14,29-31,34-46,84-85H,5-10,15-28,66H2,1-4H3,(H2,67,86)(H2,68,87)(H,69,91)(H,70,97)(H,71,88)(H,72,92)(H,73,95)(H,74,100)(H,75,96)(H,76,94)(H,77,99)(H,78,98)(H,79,101)(H,80,93)(H,89,90)(H,105,106)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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124n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis AChBP


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More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419750
PNG
(CHEMBL1947060)
Show SMILES C[N+]1(C[C@H](O)c2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C23H28NO3/c1-24(16-22(25)17-8-4-2-5-9-17)19-12-13-20(24)15-21(14-19)27-23(26)18-10-6-3-7-11-18/h2-11,19-22,25H,12-16H2,1H3/q+1/t19-,20+,21+,22-,24?/m0/s1
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126n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413513
PNG
(CHEMBL452172)
Show SMILES CCN1C2CCC1CC(C2)OC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C24H29NO/c1-2-25-19-13-14-20(25)16-21(15-19)26-24-22-9-5-3-7-17(22)11-12-18-8-4-6-10-23(18)24/h3-10,19-21,24H,2,11-16H2,1H3
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126n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50413514
PNG
(CHEMBL522981)
Show SMILES CN1C2CCC1CC(C2)OC1c2ccccc2CCc2ccc(C)cc12
Show InChI InChI=1S/C24H29NO/c1-16-7-8-18-10-9-17-5-3-4-6-22(17)24(23(18)13-16)26-21-14-19-11-12-20(15-21)25(19)2/h3-8,13,19-21,24H,9-12,14-15H2,1-2H3
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126n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM50419735
PNG
(CHEMBL1947059)
Show SMILES C[N+]1(CC(O)c2ccccc2)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C23H28NO3/c1-24(16-22(25)17-8-4-2-5-9-17)19-12-13-20(24)15-21(14-19)27-23(26)18-10-6-3-7-11-18/h2-11,19-22,25H,12-16H2,1H3/q+1/t19-,20+,21+,22?,24?
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126n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillatio...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM91617
PNG
(17q | alpha7 agonists 17q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H21F6N4/c1-29(2)15-3-4-16(29)9-14(8-15)28-10-17(26-27-28)11-5-12(18(20,21)22)7-13(6-11)19(23,24)25/h5-7,10,14-16H,3-4,8-9H2,1-2H3/q+1/t14-,15-,16+
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130 -38.6n/an/an/an/an/a7.420



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Citation and Details
More data for this
Ligand-Target Pair
Acetylcholine Binding protein


(Lymnaea stagnalis)
BDBM91637
PNG
(22t | alpha7 agonists 22t)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccc3ccccc3c2C(C)=O)nn1
Show InChI InChI=1S/C23H26N4O2/c1-15(28)23-21-6-4-3-5-16(21)7-10-22(23)29-14-17-13-27(25-24-17)20-11-18-8-9-19(12-20)26(18)2/h3-7,10,13,18-20H,8-9,11-12,14H2,1-2H3/t18-,19+,20-
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141 -38.4n/an/an/an/an/a7.420



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...


Citation and Details
More data for this
Ligand-Target Pair
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