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PubMed code 7562491

Compile data set for download or QSAR
Found 10 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
TACR2


(HAMSTER)
BDBM82262
PNG
(ZM253,270)
Show SMILES CC(C)N1Cc2c(nc(nc2Nc2ccc(Cl)cc2)N2CCN(CC2)C(=O)C(C)N=O)C1=O
Show InChI InChI=1S/C22H26ClN7O3/c1-13(2)30-12-17-18(21(30)32)25-22(26-19(17)24-16-6-4-15(23)5-7-16)29-10-8-28(9-11-29)20(31)14(3)27-33/h4-7,13-14H,8-12H2,1-3H3,(H,24,25,26)
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2n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1216-21 (1995)


BindingDB Entry DOI: 10.7270/Q2VQ316V
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM82262
PNG
(ZM253,270)
Show SMILES CC(C)N1Cc2c(nc(nc2Nc2ccc(Cl)cc2)N2CCN(CC2)C(=O)C(C)N=O)C1=O
Show InChI InChI=1S/C22H26ClN7O3/c1-13(2)30-12-17-18(21(30)32)25-22(26-19(17)24-16-6-4-15(23)5-7-16)29-10-8-28(9-11-29)20(31)14(3)27-33/h4-7,13-14H,8-12H2,1-3H3,(H,24,25,26)
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2.20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1216-21 (1995)


BindingDB Entry DOI: 10.7270/Q2VQ316V
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM82261
PNG
(COMPOUND I)
Show SMILES CC(C)N1Cc2c(nc(nc2Nc2ccc(Cl)cc2)N2CCN(CC2)C(=O)Cc2[nH]c(=O)[nH]c2O)C1=O
Show InChI InChI=1S/C24H25ClN8O4/c1-13(2)33-12-16-19(22(33)36)28-23(29-20(16)26-15-5-3-14(25)4-6-15)32-9-7-31(8-10-32)18(34)11-17-21(35)30-24(37)27-17/h3-6,13H,7-12H2,1-2H3,(H,26,28,29)(H,30,35,37)
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17n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1216-21 (1995)


BindingDB Entry DOI: 10.7270/Q2VQ316V
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM82261
PNG
(COMPOUND I)
Show SMILES CC(C)N1Cc2c(nc(nc2Nc2ccc(Cl)cc2)N2CCN(CC2)C(=O)Cc2[nH]c(=O)[nH]c2O)C1=O
Show InChI InChI=1S/C24H25ClN8O4/c1-13(2)33-12-16-19(22(33)36)28-23(29-20(16)26-15-5-3-14(25)4-6-15)32-9-7-31(8-10-32)18(34)11-17-21(35)30-24(37)27-17/h3-6,13H,7-12H2,1-2H3,(H,26,28,29)(H,30,35,37)
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18n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1216-21 (1995)


BindingDB Entry DOI: 10.7270/Q2VQ316V
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM82263
PNG
(COMPOUND II)
Show SMILES Clc1ccc(Nc2nc(nc3C(=O)N(CCN4CCOCC4)Cc23)N2CCOCC2)cc1
Show InChI InChI=1S/C22H27ClN6O3/c23-16-1-3-17(4-2-16)24-20-18-15-29(6-5-27-7-11-31-12-8-27)21(30)19(18)25-22(26-20)28-9-13-32-14-10-28/h1-4H,5-15H2,(H,24,25,26)
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39n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1216-21 (1995)


BindingDB Entry DOI: 10.7270/Q2VQ316V
More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM82263
PNG
(COMPOUND II)
Show SMILES Clc1ccc(Nc2nc(nc3C(=O)N(CCN4CCOCC4)Cc23)N2CCOCC2)cc1
Show InChI InChI=1S/C22H27ClN6O3/c23-16-1-3-17(4-2-16)24-20-18-15-29(6-5-27-7-11-31-12-8-27)21(30)19(18)25-22(26-20)28-9-13-32-14-10-28/h1-4H,5-15H2,(H,24,25,26)
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41n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1216-21 (1995)


BindingDB Entry DOI: 10.7270/Q2VQ316V
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM82262
PNG
(ZM253,270)
Show SMILES CC(C)N1Cc2c(nc(nc2Nc2ccc(Cl)cc2)N2CCN(CC2)C(=O)C(C)N=O)C1=O
Show InChI InChI=1S/C22H26ClN7O3/c1-13(2)30-12-17-18(21(30)32)25-22(26-19(17)24-16-6-4-15(23)5-7-16)29-10-8-28(9-11-29)20(31)14(3)27-33/h4-7,13-14H,8-12H2,1-3H3,(H,24,25,26)
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105n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1216-21 (1995)


BindingDB Entry DOI: 10.7270/Q2VQ316V
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM82263
PNG
(COMPOUND II)
Show SMILES Clc1ccc(Nc2nc(nc3C(=O)N(CCN4CCOCC4)Cc23)N2CCOCC2)cc1
Show InChI InChI=1S/C22H27ClN6O3/c23-16-1-3-17(4-2-16)24-20-18-15-29(6-5-27-7-11-31-12-8-27)21(30)19(18)25-22(26-20)28-9-13-32-14-10-28/h1-4H,5-15H2,(H,24,25,26)
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187n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1216-21 (1995)


BindingDB Entry DOI: 10.7270/Q2VQ316V
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM82261
PNG
(COMPOUND I)
Show SMILES CC(C)N1Cc2c(nc(nc2Nc2ccc(Cl)cc2)N2CCN(CC2)C(=O)Cc2[nH]c(=O)[nH]c2O)C1=O
Show InChI InChI=1S/C24H25ClN8O4/c1-13(2)33-12-16-19(22(33)36)28-23(29-20(16)26-15-5-3-14(25)4-6-15)32-9-7-31(8-10-32)18(34)11-17-21(35)30-24(37)27-17/h3-6,13H,7-12H2,1-2H3,(H,26,28,29)(H,30,35,37)
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188n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1216-21 (1995)


BindingDB Entry DOI: 10.7270/Q2VQ316V
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM82262
PNG
(ZM253,270)
Show SMILES CC(C)N1Cc2c(nc(nc2Nc2ccc(Cl)cc2)N2CCN(CC2)C(=O)C(C)N=O)C1=O
Show InChI InChI=1S/C22H26ClN7O3/c1-13(2)30-12-17-18(21(30)32)25-22(26-19(17)24-16-6-4-15(23)5-7-16)29-10-8-28(9-11-29)20(31)14(3)27-33/h4-7,13-14H,8-12H2,1-3H3,(H,24,25,26)
PDB
MMDB

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9.77E+3n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1216-21 (1995)


BindingDB Entry DOI: 10.7270/Q2VQ316V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%