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40 similar compounds to monomer 86692

Compile data set for download or QSAR
Wt: 410.5
BDBM86691
Wt: 336.4
BDBM86693
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Wt: 384.5
BDBM50128473
Wt: 360.4
BDBM50128475
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Wt: 342.4
BDBM50128477
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Wt: 376.8
BDBM50128483
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Wt: 410.4
BDBM50128489
Wt: 384.5
BDBM50128490
Wt: 370.4
BDBM50128495
Wt: 356.4
BDBM50128496
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Wt: 370.4
BDBM50245773
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Wt: 428.4
BDBM50312276
Wt: 457.5
BDBM50312277
Wt: 442.5
BDBM50312278
Wt: 426.5
BDBM50312279
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Displayed 1 to 15 (of 40 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 53 hits for monomerid = 86691,86693,50128473,50128475,50128477,50128483,50128489,50128490,50128495,50128496,50245773,50312276,50312277,50312278,50312279   
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-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM86693
PNG
(K376)
Show SMILES CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM86691
PNG
(K604)
Show SMILES CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-19-18-25(29(27(31)21-16-17-21)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28(19)26(30)20-10-4-2-5-11-20/h2-15,19,21,25H,16-18H2,1H3
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Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM86691
PNG
(K604)
Show SMILES CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-19-18-25(29(27(31)21-16-17-21)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28(19)26(30)20-10-4-2-5-11-20/h2-15,19,21,25H,16-18H2,1H3
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Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (Human))
BDBM86693
PNG
(K376)
Show SMILES CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
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Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM86691
PNG
(K604)
Show SMILES CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-19-18-25(29(27(31)21-16-17-21)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28(19)26(30)20-10-4-2-5-11-20/h2-15,19,21,25H,16-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM86693
PNG
(K376)
Show SMILES CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM86691
PNG
(K604)
Show SMILES CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-19-18-25(29(27(31)21-16-17-21)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28(19)26(30)20-10-4-2-5-11-20/h2-15,19,21,25H,16-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM86693
PNG
(K376)
Show SMILES CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM86691
PNG
(K604)
Show SMILES CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-19-18-25(29(27(31)21-16-17-21)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28(19)26(30)20-10-4-2-5-11-20/h2-15,19,21,25H,16-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Platelet activating factor receptor


(Homo sapiens (Human))
BDBM86693
PNG
(K376)
Show SMILES CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM86691
PNG
(K604)
Show SMILES CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-19-18-25(29(27(31)21-16-17-21)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28(19)26(30)20-10-4-2-5-11-20/h2-15,19,21,25H,16-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor


(Homo sapiens (Human))
BDBM86693
PNG
(K376)
Show SMILES CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Leukotriene 2


(Homo sapiens (Human))
BDBM86691
PNG
(K604)
Show SMILES CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-19-18-25(29(27(31)21-16-17-21)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28(19)26(30)20-10-4-2-5-11-20/h2-15,19,21,25H,16-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Leukotriene 2


(Homo sapiens (Human))
BDBM86693
PNG
(K376)
Show SMILES CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM86691
PNG
(K604)
Show SMILES CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-19-18-25(29(27(31)21-16-17-21)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28(19)26(30)20-10-4-2-5-11-20/h2-15,19,21,25H,16-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM86693
PNG
(K376)
Show SMILES CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM86693
PNG
(K376)
Show SMILES CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM86691
PNG
(K604)
Show SMILES CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-19-18-25(29(27(31)21-16-17-21)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28(19)26(30)20-10-4-2-5-11-20/h2-15,19,21,25H,16-18H2,1H3
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Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM86693
PNG
(K376)
Show SMILES CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM86691
PNG
(K604)
Show SMILES CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-19-18-25(29(27(31)21-16-17-21)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28(19)26(30)20-10-4-2-5-11-20/h2-15,19,21,25H,16-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM86693
PNG
(K376)
Show SMILES CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM86691
PNG
(K604)
Show SMILES CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-19-18-25(29(27(31)21-16-17-21)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28(19)26(30)20-10-4-2-5-11-20/h2-15,19,21,25H,16-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM86693
PNG
(K376)
Show SMILES CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM86691
PNG
(K604)
Show SMILES CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-19-18-25(29(27(31)21-16-17-21)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28(19)26(30)20-10-4-2-5-11-20/h2-15,19,21,25H,16-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM86693
PNG
(K376)
Show SMILES CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM86691
PNG
(K604)
Show SMILES CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-19-18-25(29(27(31)21-16-17-21)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28(19)26(30)20-10-4-2-5-11-20/h2-15,19,21,25H,16-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM86693
PNG
(K376)
Show SMILES CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM86691
PNG
(K604)
Show SMILES CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-19-18-25(29(27(31)21-16-17-21)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28(19)26(30)20-10-4-2-5-11-20/h2-15,19,21,25H,16-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM86693
PNG
(K376)
Show SMILES CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM86691
PNG
(K604)
Show SMILES CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-19-18-25(29(27(31)21-16-17-21)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28(19)26(30)20-10-4-2-5-11-20/h2-15,19,21,25H,16-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM86693
PNG
(K376)
Show SMILES CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM86691
PNG
(K604)
Show SMILES CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-19-18-25(29(27(31)21-16-17-21)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28(19)26(30)20-10-4-2-5-11-20/h2-15,19,21,25H,16-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM86693
PNG
(K376)
Show SMILES CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM86691
PNG
(K604)
Show SMILES CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-19-18-25(29(27(31)21-16-17-21)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28(19)26(30)20-10-4-2-5-11-20/h2-15,19,21,25H,16-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86693
PNG
(K376)
Show SMILES CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM86691
PNG
(K604)
Show SMILES CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-19-18-25(29(27(31)21-16-17-21)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28(19)26(30)20-10-4-2-5-11-20/h2-15,19,21,25H,16-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM86693
PNG
(K376)
Show SMILES CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM86691
PNG
(K604)
Show SMILES CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-19-18-25(29(27(31)21-16-17-21)22-12-6-3-7-13-22)23-14-8-9-15-24(23)28(19)26(30)20-10-4-2-5-11-20/h2-15,19,21,25H,16-18H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 244-51 (2005)


Article DOI: 10.1124/jpet.104.081539
BindingDB Entry DOI: 10.7270/Q2RN36FF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50312279
PNG
((+/-)-N-(1-benzoyl-2-methyl-1,2,3,4-tetrahydroquin...)
Show SMILES CCCCC(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C28H30N2O2/c1-3-4-19-27(31)30(23-15-9-6-10-16-23)26-20-21(2)29(25-18-12-11-17-24(25)26)28(32)22-13-7-5-8-14-22/h5-18,21,26H,3-4,19-20H2,1-2H3
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n/an/a 64n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in 293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 19: 6840-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.094
BindingDB Entry DOI: 10.7270/Q2N58MHF
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50245773
PNG
(((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-d...)
Show SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C25H26N2O/c1-3-22-18(2)24(26-20-14-8-5-9-15-20)21-16-10-11-17-23(21)27(22)25(28)19-12-6-4-7-13-19/h4-18,22,24,26H,3H2,1-2H3/t18-,22-,24+/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y1 receptor in HEK293 cells assessed as intracellular calcium level by FLIPR


Bioorg Med Chem Lett 18: 6222-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.102
BindingDB Entry DOI: 10.7270/Q26Q1X42
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50312277
PNG
((+/-)-4-(aminooxy)-N-(1-benzoyl-2-methyl-1,2,3,4-t...)
Show SMILES CC1CC(N(C(=O)CCC(=O)ON)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H27N3O4/c1-19-18-24(30(21-12-6-3-7-13-21)25(31)16-17-26(32)34-28)22-14-8-9-15-23(22)29(19)27(33)20-10-4-2-5-11-20/h2-15,19,24H,16-18,28H2,1H3
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n/an/a 29n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in 293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 19: 6840-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.094
BindingDB Entry DOI: 10.7270/Q2N58MHF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50128477
PNG
(((2R,4S)-2-Methyl-4-phenylamino-3,4-dihydro-2H-qui...)
Show SMILES C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C23H22N2O/c1-17-16-21(24-19-12-6-3-7-13-19)20-14-8-9-15-22(20)25(17)23(26)18-10-4-2-5-11-18/h2-15,17,21,24H,16H2,1H3/t17-,21+/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in 293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 19: 6840-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.094
BindingDB Entry DOI: 10.7270/Q2N58MHF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50312276
PNG
((+/-)-3-((1-benzoyl-2-methyl-1,2,3,4-tetrahydroqui...)
Show SMILES CC1CC(N(C(=O)CC(O)=O)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C26H24N2O4/c1-18-16-23(28(24(29)17-25(30)31)20-12-6-3-7-13-20)21-14-8-9-15-22(21)27(18)26(32)19-10-4-2-5-11-19/h2-15,18,23H,16-17H2,1H3,(H,30,31)
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n/an/a 540n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in 293 cells by scintillation counting in presence of 0.5% BSA


Bioorg Med Chem Lett 19: 6840-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.094
BindingDB Entry DOI: 10.7270/Q2N58MHF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50312278
PNG
((+/-)-4-((1-benzoyl-2-methyl-1,2,3,4-tetrahydroqui...)
Show SMILES CC1CC(N(C(=O)CCC(O)=O)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O4/c1-19-18-24(29(21-12-6-3-7-13-21)25(30)16-17-26(31)32)22-14-8-9-15-23(22)28(19)27(33)20-10-4-2-5-11-20/h2-15,19,24H,16-18H2,1H3,(H,31,32)
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n/an/a 28n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in 293 cells by scintillation counting in presence of 50% human plasma


Bioorg Med Chem Lett 19: 6840-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.094
BindingDB Entry DOI: 10.7270/Q2N58MHF
More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128496
PNG
(((2R,4S)-2-Methyl-4-phenylamino-3,4-dihydro-2H-qui...)
Show SMILES C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C24H24N2O/c1-17-12-14-19(15-13-17)24(27)26-18(2)16-22(21-10-6-7-11-23(21)26)25-20-8-4-3-5-9-20/h3-15,18,22,25H,16H2,1-2H3/t18-,22+/m1/s1
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n/an/an/an/a 990n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00317-2
BindingDB Entry DOI: 10.7270/Q2NV9HN8
More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128495
PNG
(((2R,4S)-2,6-Dimethyl-4-p-tolylamino-3,4-dihydro-2...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(C)cc2)c2cc(C)ccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C25H26N2O/c1-17-9-12-21(13-10-17)26-23-16-19(3)27(24-14-11-18(2)15-22(23)24)25(28)20-7-5-4-6-8-20/h4-15,19,23,26H,16H2,1-3H3/t19-,23+/m1/s1
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n/an/an/an/a 5.40E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00317-2
BindingDB Entry DOI: 10.7270/Q2NV9HN8
More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128489
PNG
(((2R,4S)-2-Methyl-4-phenylamino-3,4-dihydro-2H-qui...)
Show SMILES C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H21F3N2O/c1-16-15-21(28-19-7-3-2-4-8-19)20-9-5-6-10-22(20)29(16)23(30)17-11-13-18(14-12-17)24(25,26)27/h2-14,16,21,28H,15H2,1H3/t16-,21+/m1/s1
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n/an/an/an/a 1.18E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00317-2
BindingDB Entry DOI: 10.7270/Q2NV9HN8
More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128490
PNG
(((2R,4S)-2,6-Dimethyl-4-p-tolylamino-3,4-dihydro-2...)
Show SMILES C[C@@H]1C[C@H](Nc2ccc(C)cc2)c2cc(C)ccc2N1C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H28N2O/c1-17-5-10-21(11-6-17)26(29)28-20(4)16-24(23-15-19(3)9-14-25(23)28)27-22-12-7-18(2)8-13-22/h5-15,20,24,27H,16H2,1-4H3/t20-,24+/m1/s1
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n/an/an/an/a 5.00E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00317-2
BindingDB Entry DOI: 10.7270/Q2NV9HN8
More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128483
PNG
((4-Chloro-phenyl)-((2R,4S)-2-methyl-4-phenylamino-...)
Show SMILES C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN2O/c1-16-15-21(25-19-7-3-2-4-8-19)20-9-5-6-10-22(20)26(16)23(27)17-11-13-18(24)14-12-17/h2-14,16,21,25H,15H2,1H3/t16-,21+/m1/s1
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n/an/an/an/a 980n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00317-2
BindingDB Entry DOI: 10.7270/Q2NV9HN8
More data for this
Ligand-Target Pair
Ecdysone receptor


(Aedes aegypti)
BDBM50128477
PNG
(((2R,4S)-2-Methyl-4-phenylamino-3,4-dihydro-2H-qui...)
Show SMILES C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1
Show InChI InChI=1S/C23H22N2O/c1-17-16-21(24-19-12-6-3-7-13-19)20-14-8-9-15-22(20)25(17)23(26)18-10-4-2-5-11-18/h2-15,17,21,24H,16H2,1H3/t17-,21+/m1/s1
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n/an/an/an/a 1.12E+3n/an/an/an/a



RHeoGene

Curated by ChEMBL


Assay Description
Effective concentration for ecdysone-dependent transactivation in mammalian cell line expressing Aedes aegypti ecdysone receptor


Bioorg Med Chem Lett 13: 1943-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00317-2
BindingDB Entry DOI: 10.7270/Q2NV9HN8
More data for this
Ligand-Target Pair
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