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Compile Data Set for Download or QSAR

Found 16 hits of kd data for polymerid = 5459   
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
Substance-K receptor


(Homo sapiens (Human))
BDBM50404020
PNG
(CHEMBL435324 | MEN-11558)
Show SMILES O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 |r|
Show InChI InChI=1S/C33H35N5O4/c39-30-15-16-31(40)37-29(19-24-20-34-27-14-8-7-13-26(24)27)33(42)38-28(18-23-11-5-2-6-12-23)32(41)36-25(21-35-30)17-22-9-3-1-4-10-22/h1-14,20,25,28-29,34H,15-19,21H2,(H,35,39)(H,36,41)(H,37,40)(H,38,42)/t25-,28+,29+/m1/s1
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n/an/an/a 1.30n/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was evaluated for Kd value against [3H]-SR- 48968 on the Tyr206Phe mutated human NK-2 receptor


J Med Chem 43: 4041-4 (2000)


Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50472911
PNG
(CHEMBL407782 | MEN-11420)
Show SMILES [H][C@]12CNC(=O)C[C@]([H])(NC(=O)[C@H](CC(=O)N[C@@H]3O[C@H](CO)[C@@H](O)[C@H](CO)[C@H]3NC(C)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2
Show InChI InChI=1S/C46H60N10O13/c1-22(2)13-29-40(63)54-33(17-37(61)56-46-38(49-23(3)59)27(20-57)39(62)35(21-58)69-46)44(67)53-32-16-36(60)48-19-34(45(68)50-29)55-41(64)30(14-24-9-5-4-6-10-24)51-42(65)31(52-43(32)66)15-25-18-47-28-12-8-7-11-26(25)28/h4-12,18,22,27,29-35,38-39,46-47,57-58,62H,13-17,19-21H2,1-3H3,(H,48,60)(H,49,59)(H,50,68)(H,51,65)(H,52,66)(H,53,67)(H,54,63)(H,55,64)(H,56,61)/t27-,29+,30+,31+,32+,33+,34+,35-,38-,39+,46-/m1/s1
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n/an/an/a 1.90n/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was evaluated for Kd value against [3H]-SR- 48968 on the Tyr206Phe mutated human NK-2 receptor


J Med Chem 43: 4041-4 (2000)


Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50472911
PNG
(CHEMBL407782 | MEN-11420)
Show SMILES [H][C@]12CNC(=O)C[C@]([H])(NC(=O)[C@H](CC(=O)N[C@@H]3O[C@H](CO)[C@@H](O)[C@H](CO)[C@H]3NC(C)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2
Show InChI InChI=1S/C46H60N10O13/c1-22(2)13-29-40(63)54-33(17-37(61)56-46-38(49-23(3)59)27(20-57)39(62)35(21-58)69-46)44(67)53-32-16-36(60)48-19-34(45(68)50-29)55-41(64)30(14-24-9-5-4-6-10-24)51-42(65)31(52-43(32)66)15-25-18-47-28-12-8-7-11-26(25)28/h4-12,18,22,27,29-35,38-39,46-47,57-58,62H,13-17,19-21H2,1-3H3,(H,48,60)(H,49,59)(H,50,68)(H,51,65)(H,52,66)(H,53,67)(H,54,63)(H,55,64)(H,56,61)/t27-,29+,30+,31+,32+,33+,34+,35-,38-,39+,46-/m1/s1
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n/an/an/a 2.10n/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was evaluated for Kd value against [125I]NKA on the Wild-type tachykinin receptor 2


J Med Chem 43: 4041-4 (2000)


Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50404020
PNG
(CHEMBL435324 | MEN-11558)
Show SMILES O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 |r|
Show InChI InChI=1S/C33H35N5O4/c39-30-15-16-31(40)37-29(19-24-20-34-27-14-8-7-13-26(24)27)33(42)38-28(18-23-11-5-2-6-12-23)32(41)36-25(21-35-30)17-22-9-3-1-4-10-22/h1-14,20,25,28-29,34H,15-19,21H2,(H,35,39)(H,36,41)(H,37,40)(H,38,42)/t25-,28+,29+/m1/s1
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n/an/an/a 2.70n/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was evaluated for Kd value against [125I]NKA on the Wild-type tachykinin receptor 2


J Med Chem 43: 4041-4 (2000)


Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50472911
PNG
(CHEMBL407782 | MEN-11420)
Show SMILES [H][C@]12CNC(=O)C[C@]([H])(NC(=O)[C@H](CC(=O)N[C@@H]3O[C@H](CO)[C@@H](O)[C@H](CO)[C@H]3NC(C)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2
Show InChI InChI=1S/C46H60N10O13/c1-22(2)13-29-40(63)54-33(17-37(61)56-46-38(49-23(3)59)27(20-57)39(62)35(21-58)69-46)44(67)53-32-16-36(60)48-19-34(45(68)50-29)55-41(64)30(14-24-9-5-4-6-10-24)51-42(65)31(52-43(32)66)15-25-18-47-28-12-8-7-11-26(25)28/h4-12,18,22,27,29-35,38-39,46-47,57-58,62H,13-17,19-21H2,1-3H3,(H,48,60)(H,49,59)(H,50,68)(H,51,65)(H,52,66)(H,53,67)(H,54,63)(H,55,64)(H,56,61)/t27-,29+,30+,31+,32+,33+,34+,35-,38-,39+,46-/m1/s1
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n/an/an/a 3.10n/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was evaluated for Kd value against [125I]-NKA on the Tyr206Phe mutated human NK-2 receptor


J Med Chem 43: 4041-4 (2000)


Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50404020
PNG
(CHEMBL435324 | MEN-11558)
Show SMILES O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 |r|
Show InChI InChI=1S/C33H35N5O4/c39-30-15-16-31(40)37-29(19-24-20-34-27-14-8-7-13-26(24)27)33(42)38-28(18-23-11-5-2-6-12-23)32(41)36-25(21-35-30)17-22-9-3-1-4-10-22/h1-14,20,25,28-29,34H,15-19,21H2,(H,35,39)(H,36,41)(H,37,40)(H,38,42)/t25-,28+,29+/m1/s1
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n/an/an/a 3.60n/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was evaluated for Kd value against [125I]NKA on the Tyr206Phe mutated human NK-2 receptor


J Med Chem 43: 4041-4 (2000)


Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50472911
PNG
(CHEMBL407782 | MEN-11420)
Show SMILES [H][C@]12CNC(=O)C[C@]([H])(NC(=O)[C@H](CC(=O)N[C@@H]3O[C@H](CO)[C@@H](O)[C@H](CO)[C@H]3NC(C)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2
Show InChI InChI=1S/C46H60N10O13/c1-22(2)13-29-40(63)54-33(17-37(61)56-46-38(49-23(3)59)27(20-57)39(62)35(21-58)69-46)44(67)53-32-16-36(60)48-19-34(45(68)50-29)55-41(64)30(14-24-9-5-4-6-10-24)51-42(65)31(52-43(32)66)15-25-18-47-28-12-8-7-11-26(25)28/h4-12,18,22,27,29-35,38-39,46-47,57-58,62H,13-17,19-21H2,1-3H3,(H,48,60)(H,49,59)(H,50,68)(H,51,65)(H,52,66)(H,53,67)(H,54,63)(H,55,64)(H,56,61)/t27-,29+,30+,31+,32+,33+,34+,35-,38-,39+,46-/m1/s1
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n/an/an/a 4.40n/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was evaluated for Kd value against [3H]-SR- 48968 on the Wild-type tachykinin receptor 2


J Med Chem 43: 4041-4 (2000)


Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50404020
PNG
(CHEMBL435324 | MEN-11558)
Show SMILES O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 |r|
Show InChI InChI=1S/C33H35N5O4/c39-30-15-16-31(40)37-29(19-24-20-34-27-14-8-7-13-26(24)27)33(42)38-28(18-23-11-5-2-6-12-23)32(41)36-25(21-35-30)17-22-9-3-1-4-10-22/h1-14,20,25,28-29,34H,15-19,21H2,(H,35,39)(H,36,41)(H,37,40)(H,38,42)/t25-,28+,29+/m1/s1
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n/an/an/a 10n/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was evaluated for Kd value against [3H]-SR- 48968 on the Wild-type tachykinin receptor 2


J Med Chem 43: 4041-4 (2000)


Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50472911
PNG
(CHEMBL407782 | MEN-11420)
Show SMILES [H][C@]12CNC(=O)C[C@]([H])(NC(=O)[C@H](CC(=O)N[C@@H]3O[C@H](CO)[C@@H](O)[C@H](CO)[C@H]3NC(C)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2
Show InChI InChI=1S/C46H60N10O13/c1-22(2)13-29-40(63)54-33(17-37(61)56-46-38(49-23(3)59)27(20-57)39(62)35(21-58)69-46)44(67)53-32-16-36(60)48-19-34(45(68)50-29)55-41(64)30(14-24-9-5-4-6-10-24)51-42(65)31(52-43(32)66)15-25-18-47-28-12-8-7-11-26(25)28/h4-12,18,22,27,29-35,38-39,46-47,57-58,62H,13-17,19-21H2,1-3H3,(H,48,60)(H,49,59)(H,50,68)(H,51,65)(H,52,66)(H,53,67)(H,54,63)(H,55,64)(H,56,61)/t27-,29+,30+,31+,32+,33+,34+,35-,38-,39+,46-/m1/s1
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n/an/an/a 26n/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was evaluated for Kd value against [125I]NKA on the Tyr266Phe mutated human NK-2 receptor


J Med Chem 43: 4041-4 (2000)


Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50404020
PNG
(CHEMBL435324 | MEN-11558)
Show SMILES O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 |r|
Show InChI InChI=1S/C33H35N5O4/c39-30-15-16-31(40)37-29(19-24-20-34-27-14-8-7-13-26(24)27)33(42)38-28(18-23-11-5-2-6-12-23)32(41)36-25(21-35-30)17-22-9-3-1-4-10-22/h1-14,20,25,28-29,34H,15-19,21H2,(H,35,39)(H,36,41)(H,37,40)(H,38,42)/t25-,28+,29+/m1/s1
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n/an/an/a 34n/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was evaluated for Kd value against [125I]NKA on the Tyr266Phe mutated human NK-2 receptor


J Med Chem 43: 4041-4 (2000)


Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50472911
PNG
(CHEMBL407782 | MEN-11420)
Show SMILES [H][C@]12CNC(=O)C[C@]([H])(NC(=O)[C@H](CC(=O)N[C@@H]3O[C@H](CO)[C@@H](O)[C@H](CO)[C@H]3NC(C)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2
Show InChI InChI=1S/C46H60N10O13/c1-22(2)13-29-40(63)54-33(17-37(61)56-46-38(49-23(3)59)27(20-57)39(62)35(21-58)69-46)44(67)53-32-16-36(60)48-19-34(45(68)50-29)55-41(64)30(14-24-9-5-4-6-10-24)51-42(65)31(52-43(32)66)15-25-18-47-28-12-8-7-11-26(25)28/h4-12,18,22,27,29-35,38-39,46-47,57-58,62H,13-17,19-21H2,1-3H3,(H,48,60)(H,49,59)(H,50,68)(H,51,65)(H,52,66)(H,53,67)(H,54,63)(H,55,64)(H,56,61)/t27-,29+,30+,31+,32+,33+,34+,35-,38-,39+,46-/m1/s1
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n/an/an/a 48n/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was evaluated for Kd value against [3H]-SR- 48968 on the Tyr266Phe mutated human NK-2 receptor


J Med Chem 43: 4041-4 (2000)


Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50404020
PNG
(CHEMBL435324 | MEN-11558)
Show SMILES O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 |r|
Show InChI InChI=1S/C33H35N5O4/c39-30-15-16-31(40)37-29(19-24-20-34-27-14-8-7-13-26(24)27)33(42)38-28(18-23-11-5-2-6-12-23)32(41)36-25(21-35-30)17-22-9-3-1-4-10-22/h1-14,20,25,28-29,34H,15-19,21H2,(H,35,39)(H,36,41)(H,37,40)(H,38,42)/t25-,28+,29+/m1/s1
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n/an/an/a 48n/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was evaluated for Kd value against [3H]-SR- 48968 on the Tyr266Phe mutated human NK-2 receptor


J Med Chem 43: 4041-4 (2000)


Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50404020
PNG
(CHEMBL435324 | MEN-11558)
Show SMILES O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 |r|
Show InChI InChI=1S/C33H35N5O4/c39-30-15-16-31(40)37-29(19-24-20-34-27-14-8-7-13-26(24)27)33(42)38-28(18-23-11-5-2-6-12-23)32(41)36-25(21-35-30)17-22-9-3-1-4-10-22/h1-14,20,25,28-29,34H,15-19,21H2,(H,35,39)(H,36,41)(H,37,40)(H,38,42)/t25-,28+,29+/m1/s1
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n/an/an/a 208n/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was evaluated for Kd value against [3H]-SR- 48968 on the Phe270Ala mutated human NK-2 receptor


J Med Chem 43: 4041-4 (2000)


Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50472911
PNG
(CHEMBL407782 | MEN-11420)
Show SMILES [H][C@]12CNC(=O)C[C@]([H])(NC(=O)[C@H](CC(=O)N[C@@H]3O[C@H](CO)[C@@H](O)[C@H](CO)[C@H]3NC(C)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2
Show InChI InChI=1S/C46H60N10O13/c1-22(2)13-29-40(63)54-33(17-37(61)56-46-38(49-23(3)59)27(20-57)39(62)35(21-58)69-46)44(67)53-32-16-36(60)48-19-34(45(68)50-29)55-41(64)30(14-24-9-5-4-6-10-24)51-42(65)31(52-43(32)66)15-25-18-47-28-12-8-7-11-26(25)28/h4-12,18,22,27,29-35,38-39,46-47,57-58,62H,13-17,19-21H2,1-3H3,(H,48,60)(H,49,59)(H,50,68)(H,51,65)(H,52,66)(H,53,67)(H,54,63)(H,55,64)(H,56,61)/t27-,29+,30+,31+,32+,33+,34+,35-,38-,39+,46-/m1/s1
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n/an/an/a 291n/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was evaluated for Kd value against [3H]-SR- 48968 on the Phe270Ala mutated human NK-2 receptor


J Med Chem 43: 4041-4 (2000)


Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50472911
PNG
(CHEMBL407782 | MEN-11420)
Show SMILES [H][C@]12CNC(=O)C[C@]([H])(NC(=O)[C@H](CC(=O)N[C@@H]3O[C@H](CO)[C@@H](O)[C@H](CO)[C@H]3NC(C)=O)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2
Show InChI InChI=1S/C46H60N10O13/c1-22(2)13-29-40(63)54-33(17-37(61)56-46-38(49-23(3)59)27(20-57)39(62)35(21-58)69-46)44(67)53-32-16-36(60)48-19-34(45(68)50-29)55-41(64)30(14-24-9-5-4-6-10-24)51-42(65)31(52-43(32)66)15-25-18-47-28-12-8-7-11-26(25)28/h4-12,18,22,27,29-35,38-39,46-47,57-58,62H,13-17,19-21H2,1-3H3,(H,48,60)(H,49,59)(H,50,68)(H,51,65)(H,52,66)(H,53,67)(H,54,63)(H,55,64)(H,56,61)/t27-,29+,30+,31+,32+,33+,34+,35-,38-,39+,46-/m1/s1
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n/an/an/a>1.00E+3n/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was evaluated for Kd value against [3H]-SR- 48968 on the Tyr206Ala mutated human NK-2 receptor


J Med Chem 43: 4041-4 (2000)


Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50404020
PNG
(CHEMBL435324 | MEN-11558)
Show SMILES O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CN1 |r|
Show InChI InChI=1S/C33H35N5O4/c39-30-15-16-31(40)37-29(19-24-20-34-27-14-8-7-13-26(24)27)33(42)38-28(18-23-11-5-2-6-12-23)32(41)36-25(21-35-30)17-22-9-3-1-4-10-22/h1-14,20,25,28-29,34H,15-19,21H2,(H,35,39)(H,36,41)(H,37,40)(H,38,42)/t25-,28+,29+/m1/s1
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Similars

Article
PubMed
n/an/an/a 1.96E+3n/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Compound was evaluated for Kd value against [3H]-SR- 48968 on the Tyr206Ala mutated human NK-2 receptor


J Med Chem 43: 4041-4 (2000)


Article DOI: 10.1021/jm0010217
BindingDB Entry DOI: 10.7270/Q2Z322CV
More data for this
Ligand-Target Pair