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Compile Data Set for Download or QSAR

Found 5 hits of ki for monomerid = 50116078   
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
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50116078
PNG
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...)
Show SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22?,27-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Eur J Pharmacol 450: 191-202 (2002)


Article DOI: 10.1016/s0014-2999(02)02124-6
BindingDB Entry DOI: 10.7270/Q2862F1R
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50116078
PNG
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...)
Show SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22?,27-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Eur J Pharmacol 450: 191-202 (2002)


Article DOI: 10.1016/s0014-2999(02)02124-6
BindingDB Entry DOI: 10.7270/Q2862F1R
More data for this
Ligand-Target Pair
Substance-K receptor


(GUINEA PIG)
BDBM50116078
PNG
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...)
Show SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22?,27-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding to Tachykinin receptor 2


Bioorg Med Chem Lett 12: 2125-8 (2002)


BindingDB Entry DOI: 10.7270/Q2JQ11JS
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)
BDBM50116078
PNG
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...)
Show SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22?,27-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding to Tachykinin receptor 1


Bioorg Med Chem Lett 12: 2125-8 (2002)


BindingDB Entry DOI: 10.7270/Q2JQ11JS
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50116078
PNG
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...)
Show SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22?,27-/m1/s1
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Article
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1.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




Eur J Pharmacol 450: 191-202 (2002)


Article DOI: 10.1016/s0014-2999(02)02124-6
BindingDB Entry DOI: 10.7270/Q2862F1R
More data for this
Ligand-Target Pair