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BDBM86693 K376

SMILES: CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12

InChI Key: InChIKey=DRQJSDYVORTCEY-UHFFFAOYSA-N

Data: 19 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 86693   
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
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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>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))
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
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))
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))
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))
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))
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))
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))
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
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
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 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
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
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
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
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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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
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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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