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Compile Data Set for Download or QSAR

Found 9 hits of ki data for polymerid = 49000041   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
5-HT2


(Monkey)
BDBM30704
PNG
((phenylmethyl) N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
Show InChI InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1
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0.820n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-HT2


(Monkey)
BDBM84933
PNG
(6-Methyl-N-cyclohexylergoline-8-beta-carboxamide |...)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H29N3O/c1-25-13-15(22(26)24-16-6-3-2-4-7-16)10-18-17-8-5-9-19-21(17)14(12-23-19)11-20(18)25/h5,8-9,12,15-16,18,20,23H,2-4,6-7,10-11,13H2,1H3,(H,24,26)/t15-,18-,20-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-HT2


(Monkey)
BDBM84935
PNG
(LY 86057 | LY86057)
Show SMILES CC(O)C(C)OC(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C20H26N2O3/c1-11(23)12(2)25-20(24)14-7-16-15-5-4-6-17-19(15)13(9-21-17)8-18(16)22(3)10-14/h4-6,9,11-12,14,16,18,21,23H,7-8,10H2,1-3H3
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3.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-HT2


(Monkey)
BDBM81446
PNG
(CAS_60-79-7 | ERGONOVINE | NSC_104873)
Show SMILES CC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)
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3.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-HT2


(Monkey)
BDBM82516
PNG
(AMESERGIDE | CAS_121588-75-8 | NSC_60740)
Show SMILES CC(C)n1cc2CC3C(CC(CN3C)C(=O)NC3CCCCC3)c3cccc1c23
Show InChI InChI=1S/C25H35N3O/c1-16(2)28-15-17-13-23-21(20-10-7-11-22(28)24(17)20)12-18(14-27(23)3)25(29)26-19-8-5-4-6-9-19/h7,10-11,15-16,18-19,21,23H,4-6,8-9,12-14H2,1-3H3,(H,26,29)
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26.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-HT2


(Monkey)
BDBM84930
PNG
(CAS_60634-51-7 | LY 53857 | NSC_107989)
Show SMILES CC(O)C(C)OC(=O)C1CC2C(Cc3cn(C(C)C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C23H32N2O3/c1-13(2)25-12-16-10-21-19(18-7-6-8-20(25)22(16)18)9-17(11-24(21)5)23(27)28-15(4)14(3)26/h6-8,12-15,17,19,21,26H,9-11H2,1-5H3
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33.1n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-HT2


(Monkey)
BDBM50024204
PNG
(1H-imidazo[4,5-c]pyridine derivative | 2N-[4,7-dim...)
Show SMILES CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1
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44.9n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-HT2


(Monkey)
BDBM84939
PNG
(1,6-Dimethylergoline-8β-carboxylic acid 2-hydroxy...)
Show SMILES CC(O)C(C)OC(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C21H28N2O3/c1-12(24)13(2)26-21(25)15-8-17-16-6-5-7-18-20(16)14(10-22(18)3)9-19(17)23(4)11-15/h5-7,10,12-13,15,17,19,24H,8-9,11H2,1-4H3/t12?,13?,15-,17-,19-/m1/s1
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56.8n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-HT2


(Monkey)
BDBM84938
PNG
((6aR)-7-Methyl-4-isobutyl-4,6,6ażżżż,7,8,9,10,10aż...)
Show SMILES CC(C)Cn1cc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)OC(C)C(C)O)c3cccc1c23
Show InChI InChI=1S/C24H34N2O3/c1-14(2)11-26-13-17-10-22-20(19-7-6-8-21(26)23(17)19)9-18(12-25(22)5)24(28)29-16(4)15(3)27/h6-8,13-16,18,20,22,27H,9-12H2,1-5H3/t15?,16?,18-,20-,22-/m1/s1
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153n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair