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PubMed code 15356216

Compile data set for download or QSAR
Found 48 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86536
PNG
(PhAR)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1 |r,w:8.7|
Show InChI InChI=1S/C34H49NO5/c1-3-4-5-15-20-30(40-34(38)26-28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-33(37)35-27-29-23-24-31(36)32(25-29)39-2/h10,12-14,16,18-19,23-25,30,36H,3-9,11,15,17,20-22,26-27H2,1-2H3,(H,35,37)/t30-/m1/s1
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300n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86539
PNG
(PhAR, ent)
Show SMILES CCCCCCC(C\C=C\CCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H49NO5/c1-3-4-5-15-20-30(40-34(38)26-28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-33(37)35-27-29-23-24-31(36)32(25-29)39-2/h10,12-14,16,18-19,23-25,30,36H,3-9,11,15,17,20-22,26-27H2,1-2H3,(H,35,37)/b16-10+
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400n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86531
PNG
(PhAR, Di-hydro)
Show SMILES CCCCCCC(CCCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H51NO5/c1-3-4-5-15-20-30(40-34(38)26-28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-33(37)35-27-29-23-24-31(36)32(25-29)39-2/h12-14,18-19,23-25,30,36H,3-11,15-17,20-22,26-27H2,1-2H3,(H,35,37)
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1.10E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86534
PNG
(Rinvanil, Benzoil)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)c1ccccc1 |r,w:8.7|
Show InChI InChI=1S/C33H47NO5/c1-3-4-5-15-20-29(39-33(37)28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-32(36)34-26-27-23-24-30(35)31(25-27)38-2/h10,12-14,16,18-19,23-25,29,35H,3-9,11,15,17,20-22,26H2,1-2H3,(H,34,36)/t29-/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86538
PNG
(PhAR, Cycloproyl)
Show SMILES CCCCCCCCC1OC1CCCCCCCC(=O)NCc1ccc(O)c(OC)c1
Show InChI InChI=1S/C26H43NO4/c1-3-4-5-6-8-11-14-23-24(31-23)15-12-9-7-10-13-16-26(29)27-20-21-17-18-22(28)25(19-21)30-2/h17-19,23-24,28H,3-16,20H2,1-2H3,(H,27,29)
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1.40E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86534
PNG
(Rinvanil, Benzoil)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)c1ccccc1 |r,w:8.7|
Show InChI InChI=1S/C33H47NO5/c1-3-4-5-15-20-29(39-33(37)28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-32(36)34-26-27-23-24-30(35)31(25-27)38-2/h10,12-14,16,18-19,23-25,29,35H,3-9,11,15,17,20-22,26H2,1-2H3,(H,34,36)/t29-/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86540
PNG
(PhAR, 5-I)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1cc(I)c(O)c(OC)c1)OC(=O)Cc1ccccc1 |r,w:8.7|
Show InChI InChI=1S/C34H48INO5/c1-3-4-5-15-20-29(41-33(38)25-27-18-13-12-14-19-27)21-16-10-8-6-7-9-11-17-22-32(37)36-26-28-23-30(35)34(39)31(24-28)40-2/h10,12-14,16,18-19,23-24,29,39H,3-9,11,15,17,20-22,25-26H2,1-2H3,(H,36,37)/t29-/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86535
PNG
(PhAR, 6-I)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1cc(OC)c(O)cc1I)OC(=O)Cc1ccccc1 |r,w:8.7|
Show InChI InChI=1S/C34H48INO5/c1-3-4-5-15-20-29(41-34(39)23-27-18-13-12-14-19-27)21-16-10-8-6-7-9-11-17-22-33(38)36-26-28-24-32(40-2)31(37)25-30(28)35/h10,12-14,16,18-19,24-25,29,37H,3-9,11,15,17,20-23,26H2,1-2H3,(H,36,38)/t29-/m1/s1
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2.20E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86536
PNG
(PhAR)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1 |r,w:8.7|
Show InChI InChI=1S/C34H49NO5/c1-3-4-5-15-20-30(40-34(38)26-28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-33(37)35-27-29-23-24-31(36)32(25-29)39-2/h10,12-14,16,18-19,23-25,30,36H,3-9,11,15,17,20-22,26-27H2,1-2H3,(H,35,37)/t30-/m1/s1
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2.20E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86539
PNG
(PhAR, ent)
Show SMILES CCCCCCC(C\C=C\CCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H49NO5/c1-3-4-5-15-20-30(40-34(38)26-28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-33(37)35-27-29-23-24-31(36)32(25-29)39-2/h10,12-14,16,18-19,23-25,30,36H,3-9,11,15,17,20-22,26-27H2,1-2H3,(H,35,37)/b16-10+
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2.40E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86535
PNG
(PhAR, 6-I)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1cc(OC)c(O)cc1I)OC(=O)Cc1ccccc1 |r,w:8.7|
Show InChI InChI=1S/C34H48INO5/c1-3-4-5-15-20-29(41-34(39)23-27-18-13-12-14-19-27)21-16-10-8-6-7-9-11-17-22-33(38)36-26-28-24-32(40-2)31(37)25-30(28)35/h10,12-14,16,18-19,24-25,29,37H,3-9,11,15,17,20-23,26H2,1-2H3,(H,36,38)/t29-/m1/s1
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2.50E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86540
PNG
(PhAR, 5-I)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1cc(I)c(O)c(OC)c1)OC(=O)Cc1ccccc1 |r,w:8.7|
Show InChI InChI=1S/C34H48INO5/c1-3-4-5-15-20-29(41-33(38)25-27-18-13-12-14-19-27)21-16-10-8-6-7-9-11-17-22-32(37)36-26-28-23-30(35)34(39)31(24-28)40-2/h10,12-14,16,18-19,23-24,29,39H,3-9,11,15,17,20-22,25-26H2,1-2H3,(H,36,37)/t29-/m1/s1
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5.00E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86531
PNG
(PhAR, Di-hydro)
Show SMILES CCCCCCC(CCCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H51NO5/c1-3-4-5-15-20-30(40-34(38)26-28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-33(37)35-27-29-23-24-31(36)32(25-29)39-2/h12-14,18-19,23-25,30,36H,3-11,15-17,20-22,26-27H2,1-2H3,(H,35,37)
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5.00E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86538
PNG
(PhAR, Cycloproyl)
Show SMILES CCCCCCCCC1OC1CCCCCCCC(=O)NCc1ccc(O)c(OC)c1
Show InChI InChI=1S/C26H43NO4/c1-3-4-5-6-8-11-14-23-24(31-23)15-12-9-7-10-13-16-26(29)27-20-21-17-18-22(28)25(19-21)30-2/h17-19,23-24,28H,3-16,20H2,1-2H3,(H,27,29)
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5.60E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86533
PNG
(PhAR, epoxy)
Show SMILES CCCCCCC(CCC1OC1CCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H49NO6/c1-3-4-5-11-16-28(40-34(38)24-26-14-9-8-10-15-26)20-22-31-30(41-31)17-12-6-7-13-18-33(37)35-25-27-19-21-29(36)32(23-27)39-2/h8-10,14-15,19,21,23,28,30-31,36H,3-7,11-13,16-18,20,22,24-25H2,1-2H3,(H,35,37)
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6.00E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM86530
PNG
(CAS_58493-49-5 | NSC_42760 | Olvanil)
Show SMILES CCCCCCCCC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 |w:8.7|
Show InChI InChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h10-11,19-21,28H,3-9,12-18,22H2,1-2H3,(H,27,29)
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7.30E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM86539
PNG
(PhAR, ent)
Show SMILES CCCCCCC(C\C=C\CCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H49NO5/c1-3-4-5-15-20-30(40-34(38)26-28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-33(37)35-27-29-23-24-31(36)32(25-29)39-2/h10,12-14,16,18-19,23-25,30,36H,3-9,11,15,17,20-22,26-27H2,1-2H3,(H,35,37)/b16-10+
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7.40E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM86540
PNG
(PhAR, 5-I)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1cc(I)c(O)c(OC)c1)OC(=O)Cc1ccccc1 |r,w:8.7|
Show InChI InChI=1S/C34H48INO5/c1-3-4-5-15-20-29(41-33(38)25-27-18-13-12-14-19-27)21-16-10-8-6-7-9-11-17-22-32(37)36-26-28-23-30(35)34(39)31(24-28)40-2/h10,12-14,16,18-19,23-24,29,39H,3-9,11,15,17,20-22,25-26H2,1-2H3,(H,36,37)/t29-/m1/s1
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9.10E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM86531
PNG
(PhAR, Di-hydro)
Show SMILES CCCCCCC(CCCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H51NO5/c1-3-4-5-15-20-30(40-34(38)26-28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-33(37)35-27-29-23-24-31(36)32(25-29)39-2/h12-14,18-19,23-25,30,36H,3-11,15-17,20-22,26-27H2,1-2H3,(H,35,37)
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9.40E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86533
PNG
(PhAR, epoxy)
Show SMILES CCCCCCC(CCC1OC1CCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H49NO6/c1-3-4-5-11-16-28(40-34(38)24-26-14-9-8-10-15-26)20-22-31-30(41-31)17-12-6-7-13-18-33(37)35-25-27-19-21-29(36)32(23-27)39-2/h8-10,14-15,19,21,23,28,30-31,36H,3-7,11-13,16-18,20,22,24-25H2,1-2H3,(H,35,37)
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9.50E+3n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM86536
PNG
(PhAR)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1 |r,w:8.7|
Show InChI InChI=1S/C34H49NO5/c1-3-4-5-15-20-30(40-34(38)26-28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-33(37)35-27-29-23-24-31(36)32(25-29)39-2/h10,12-14,16,18-19,23-25,30,36H,3-9,11,15,17,20-22,26-27H2,1-2H3,(H,35,37)/t30-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86539
PNG
(PhAR, ent)
Show SMILES CCCCCCC(C\C=C\CCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H49NO5/c1-3-4-5-15-20-30(40-34(38)26-28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-33(37)35-27-29-23-24-31(36)32(25-29)39-2/h10,12-14,16,18-19,23-25,30,36H,3-9,11,15,17,20-22,26-27H2,1-2H3,(H,35,37)/b16-10+
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86540
PNG
(PhAR, 5-I)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1cc(I)c(O)c(OC)c1)OC(=O)Cc1ccccc1 |r,w:8.7|
Show InChI InChI=1S/C34H48INO5/c1-3-4-5-15-20-29(41-33(38)25-27-18-13-12-14-19-27)21-16-10-8-6-7-9-11-17-22-32(37)36-26-28-23-30(35)34(39)31(24-28)40-2/h10,12-14,16,18-19,23-24,29,39H,3-9,11,15,17,20-22,25-26H2,1-2H3,(H,36,37)/t29-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86533
PNG
(PhAR, epoxy)
Show SMILES CCCCCCC(CCC1OC1CCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H49NO6/c1-3-4-5-11-16-28(40-34(38)24-26-14-9-8-10-15-26)20-22-31-30(41-31)17-12-6-7-13-18-33(37)35-25-27-19-21-29(36)32(23-27)39-2/h8-10,14-15,19,21,23,28,30-31,36H,3-7,11-13,16-18,20,22,24-25H2,1-2H3,(H,35,37)
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86537
PNG
(CAS_404-86-4 | Capsaicin | NSC_2548)
Show SMILES COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O |w:14.14|
Show InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86535
PNG
(PhAR, 6-I)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1cc(OC)c(O)cc1I)OC(=O)Cc1ccccc1 |r,w:8.7|
Show InChI InChI=1S/C34H48INO5/c1-3-4-5-15-20-29(41-34(39)23-27-18-13-12-14-19-27)21-16-10-8-6-7-9-11-17-22-33(38)36-26-28-24-32(40-2)31(37)25-30(28)35/h10,12-14,16,18-19,24-25,29,37H,3-9,11,15,17,20-23,26H2,1-2H3,(H,36,38)/t29-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM86535
PNG
(PhAR, 6-I)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1cc(OC)c(O)cc1I)OC(=O)Cc1ccccc1 |r,w:8.7|
Show InChI InChI=1S/C34H48INO5/c1-3-4-5-15-20-29(41-34(39)23-27-18-13-12-14-19-27)21-16-10-8-6-7-9-11-17-22-33(38)36-26-28-24-32(40-2)31(37)25-30(28)35/h10,12-14,16,18-19,24-25,29,37H,3-9,11,15,17,20-23,26H2,1-2H3,(H,36,38)/t29-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM86538
PNG
(PhAR, Cycloproyl)
Show SMILES CCCCCCCCC1OC1CCCCCCCC(=O)NCc1ccc(O)c(OC)c1
Show InChI InChI=1S/C26H43NO4/c1-3-4-5-6-8-11-14-23-24(31-23)15-12-9-7-10-13-16-26(29)27-20-21-17-18-22(28)25(19-21)30-2/h17-19,23-24,28H,3-16,20H2,1-2H3,(H,27,29)
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Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM86534
PNG
(Rinvanil, Benzoil)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)c1ccccc1 |r,w:8.7|
Show InChI InChI=1S/C33H47NO5/c1-3-4-5-15-20-29(39-33(37)28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-32(36)34-26-27-23-24-30(35)31(25-27)38-2/h10,12-14,16,18-19,23-25,29,35H,3-9,11,15,17,20-22,26H2,1-2H3,(H,34,36)/t29-/m1/s1
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Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86537
PNG
(CAS_404-86-4 | Capsaicin | NSC_2548)
Show SMILES COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O |w:14.14|
Show InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86532
PNG
(Rinvanil)
Show SMILES CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 |r,w:9.8|
Show InChI InChI=1S/C26H43NO4/c1-3-4-5-12-15-23(28)16-13-10-8-6-7-9-11-14-17-26(30)27-21-22-18-19-24(29)25(20-22)31-2/h10,13,18-20,23,28-29H,3-9,11-12,14-17,21H2,1-2H3,(H,27,30)/t23-/m1/s1
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Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86542
PNG
(Rinvanil, Phenyl-propionyl)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)CCc1ccccc1 |r,w:8.7|
Show InChI InChI=1S/C35H51NO5/c1-3-4-5-15-20-31(41-35(39)26-24-29-18-13-12-14-19-29)21-16-10-8-6-7-9-11-17-22-34(38)36-28-30-23-25-32(37)33(27-30)40-2/h10,12-14,16,18-19,23,25,27,31,37H,3-9,11,15,17,20-22,24,26,28H2,1-2H3,(H,36,38)/t31-/m1/s1
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Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86537
PNG
(CAS_404-86-4 | Capsaicin | NSC_2548)
Show SMILES COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O |w:14.14|
Show InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86530
PNG
(CAS_58493-49-5 | NSC_42760 | Olvanil)
Show SMILES CCCCCCCCC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 |w:8.7|
Show InChI InChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h10-11,19-21,28H,3-9,12-18,22H2,1-2H3,(H,27,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86541
PNG
(Rinvanil, Acetyl)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(C)=O |r,w:8.7|
Show InChI InChI=1S/C28H45NO5/c1-4-5-6-13-16-25(34-23(2)30)17-14-11-9-7-8-10-12-15-18-28(32)29-22-24-19-20-26(31)27(21-24)33-3/h11,14,19-21,25,31H,4-10,12-13,15-18,22H2,1-3H3,(H,29,32)/t25-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86531
PNG
(PhAR, Di-hydro)
Show SMILES CCCCCCC(CCCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H51NO5/c1-3-4-5-15-20-30(40-34(38)26-28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-33(37)35-27-29-23-24-31(36)32(25-29)39-2/h12-14,18-19,23-25,30,36H,3-11,15-17,20-22,26-27H2,1-2H3,(H,35,37)
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Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86534
PNG
(Rinvanil, Benzoil)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)c1ccccc1 |r,w:8.7|
Show InChI InChI=1S/C33H47NO5/c1-3-4-5-15-20-29(39-33(37)28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-32(36)34-26-27-23-24-30(35)31(25-27)38-2/h10,12-14,16,18-19,23-25,29,35H,3-9,11,15,17,20-22,26H2,1-2H3,(H,34,36)/t29-/m1/s1
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Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM86533
PNG
(PhAR, epoxy)
Show SMILES CCCCCCC(CCC1OC1CCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C34H49NO6/c1-3-4-5-11-16-28(40-34(38)24-26-14-9-8-10-15-26)20-22-31-30(41-31)17-12-6-7-13-18-33(37)35-25-27-19-21-29(36)32(23-27)39-2/h8-10,14-15,19,21,23,28,30-31,36H,3-7,11-13,16-18,20,22,24-25H2,1-2H3,(H,35,37)
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Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM86532
PNG
(Rinvanil)
Show SMILES CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 |r,w:9.8|
Show InChI InChI=1S/C26H43NO4/c1-3-4-5-12-15-23(28)16-13-10-8-6-7-9-11-14-17-26(30)27-21-22-18-19-24(29)25(20-22)31-2/h10,13,18-20,23,28-29H,3-9,11-12,14-17,21H2,1-2H3,(H,27,30)/t23-/m1/s1
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Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM86541
PNG
(Rinvanil, Acetyl)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(C)=O |r,w:8.7|
Show InChI InChI=1S/C28H45NO5/c1-4-5-6-13-16-25(34-23(2)30)17-14-11-9-7-8-10-12-15-18-28(32)29-22-24-19-20-26(31)27(21-24)33-3/h11,14,19-21,25,31H,4-10,12-13,15-18,22H2,1-3H3,(H,29,32)/t25-/m1/s1
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Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86541
PNG
(Rinvanil, Acetyl)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(C)=O |r,w:8.7|
Show InChI InChI=1S/C28H45NO5/c1-4-5-6-13-16-25(34-23(2)30)17-14-11-9-7-8-10-12-15-18-28(32)29-22-24-19-20-26(31)27(21-24)33-3/h11,14,19-21,25,31H,4-10,12-13,15-18,22H2,1-3H3,(H,29,32)/t25-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86536
PNG
(PhAR)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(=O)Cc1ccccc1 |r,w:8.7|
Show InChI InChI=1S/C34H49NO5/c1-3-4-5-15-20-30(40-34(38)26-28-18-13-12-14-19-28)21-16-10-8-6-7-9-11-17-22-33(37)35-27-29-23-24-31(36)32(25-29)39-2/h10,12-14,16,18-19,23-25,30,36H,3-9,11,15,17,20-22,26-27H2,1-2H3,(H,35,37)/t30-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86532
PNG
(Rinvanil)
Show SMILES CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 |r,w:9.8|
Show InChI InChI=1S/C26H43NO4/c1-3-4-5-12-15-23(28)16-13-10-8-6-7-9-11-14-17-26(30)27-21-22-18-19-24(29)25(20-22)31-2/h10,13,18-20,23,28-29H,3-9,11-12,14-17,21H2,1-2H3,(H,27,30)/t23-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM86530
PNG
(CAS_58493-49-5 | NSC_42760 | Olvanil)
Show SMILES CCCCCCCCC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 |w:8.7|
Show InChI InChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h10-11,19-21,28H,3-9,12-18,22H2,1-2H3,(H,27,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86541
PNG
(Rinvanil, Acetyl)
Show SMILES CCCCCC[C@H](CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(C)=O |r,w:8.7|
Show InChI InChI=1S/C28H45NO5/c1-4-5-6-13-16-25(34-23(2)30)17-14-11-9-7-8-10-12-15-18-28(32)29-22-24-19-20-26(31)27(21-24)33-3/h11,14,19-21,25,31H,4-10,12-13,15-18,22H2,1-3H3,(H,29,32)/t25-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM86532
PNG
(Rinvanil)
Show SMILES CCCCCC[C@@H](O)CC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 |r,w:9.8|
Show InChI InChI=1S/C26H43NO4/c1-3-4-5-12-15-23(28)16-13-10-8-6-7-9-11-14-17-26(30)27-21-22-18-19-24(29)25(20-22)31-2/h10,13,18-20,23,28-29H,3-9,11-12,14-17,21H2,1-2H3,(H,27,30)/t23-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86530
PNG
(CAS_58493-49-5 | NSC_42760 | Olvanil)
Show SMILES CCCCCCCCC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 |w:8.7|
Show InChI InChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h10-11,19-21,28H,3-9,12-18,22H2,1-2H3,(H,27,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM86538
PNG
(PhAR, Cycloproyl)
Show SMILES CCCCCCCCC1OC1CCCCCCCC(=O)NCc1ccc(O)c(OC)c1
Show InChI InChI=1S/C26H43NO4/c1-3-4-5-6-8-11-14-23-24(31-23)15-12-9-7-10-13-16-26(29)27-20-21-17-18-22(28)25(19-21)30-2/h17-19,23-24,28H,3-16,20H2,1-2H3,(H,27,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Farmaceutiche e Farmacologiche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 312: 561-70 (2005)


Article DOI: 10.1124/jpet.104.074864
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%