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Compile Data Set for Download or QSAR

Found 152 hits with Last Name = 'renzetti' and Initial = 'ar'   
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))
BDBM50404016
PNG
(CHEMBL2112922)
Show SMILES O=C(C1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)CNC1=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C44H53N7O5/c52-40-27-36(44(56)51-22-18-34(19-23-51)50-20-10-3-11-21-50)41(53)46-29-33(24-30-12-4-1-5-13-30)47-42(54)38(25-31-14-6-2-7-15-31)49-43(55)39(48-40)26-32-28-45-37-17-9-8-16-35(32)37/h1-2,4-9,12-17,28,33-34,36,38-39,45H,3,10-11,18-27,29H2,(H,46,53)(H,47,54)(H,48,52)(H,49,55)/t33-,36?,38-,39-/m0/s1
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0.0500n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A. Laboratori di Firenze

Curated by ChEMBL


Assay Description
In vitro functional activity towards Neurokinin NK2 receptor on isolated rabbit urinary bladder (RUB)


Bioorg Med Chem Lett 12: 693-6 (2002)


BindingDB Entry DOI: 10.7270/Q22N53FR
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50404016
PNG
(CHEMBL2112922)
Show SMILES O=C(C1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)CNC1=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C44H53N7O5/c52-40-27-36(44(56)51-22-18-34(19-23-51)50-20-10-3-11-21-50)41(53)46-29-33(24-30-12-4-1-5-13-30)47-42(54)38(25-31-14-6-2-7-15-31)49-43(55)39(48-40)26-32-28-45-37-17-9-8-16-35(32)37/h1-2,4-9,12-17,28,33-34,36,38-39,45H,3,10-11,18-27,29H2,(H,46,53)(H,47,54)(H,48,52)(H,49,55)/t33-,36?,38-,39-/m0/s1
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0.0501n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A. Laboratori di Firenze

Curated by ChEMBL


Assay Description
In vitro functional activity towards Neurokinin NK2 receptor on isolated rabbit urinary bladder (RUB)


Bioorg Med Chem Lett 12: 693-6 (2002)


BindingDB Entry DOI: 10.7270/Q22N53FR
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50472916
PNG
(CHEMBL223221 | MEN-11690)
Show SMILES Clc1ccc(C[C@@H]2CNC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)cc1Cl |r|
Show InChI InChI=1S/C33H33Cl2N5O4/c34-25-11-10-21(15-26(25)35)14-23-19-37-30(41)12-13-31(42)39-29(17-22-18-36-27-9-5-4-8-24(22)27)33(44)40-28(32(43)38-23)16-20-6-2-1-3-7-20/h1-11,15,18,23,28-29,36H,12-14,16-17,19H2,(H,37,41)(H,38,43)(H,39,42)(H,40,44)/t23-,28+,29+/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity towards 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))
BDBM50404025
PNG
(CHEMBL2112925)
Show SMILES O=C(C1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)CNC1=O)N1CCOCC1
Show InChI InChI=1S/C38H42N6O6/c45-34-22-30(38(49)44-15-17-50-18-16-44)35(46)40-24-28(19-25-9-3-1-4-10-25)41-36(47)32(20-26-11-5-2-6-12-26)43-37(48)33(42-34)21-27-23-39-31-14-8-7-13-29(27)31/h1-14,23,28,30,32-33,39H,15-22,24H2,(H,40,46)(H,41,47)(H,42,45)(H,43,48)/t28-,30?,32-,33-/m0/s1
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0.126n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A. Laboratori di Firenze

Curated by ChEMBL


Assay Description
In vitro functional activity towards Neurokinin NK2 receptor on isolated rabbit urinary bladder (RUB)


Bioorg Med Chem Lett 12: 693-6 (2002)


BindingDB Entry DOI: 10.7270/Q22N53FR
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50366377
PNG
(CHEMBL334721 | MEN-10627)
Show SMILES CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CNC(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2
Show InChI InChI=1S/C38H48N8O7S/c1-21(2)15-27-34(49)41-26(13-14-54-3)33(48)45-30-18-32(47)40-20-31(38(53)42-27)46-35(50)28(16-22-9-5-4-6-10-22)43-36(51)29(44-37(30)52)17-23-19-39-25-12-8-7-11-24(23)25/h4-12,19,21,26-31,39H,13-18,20H2,1-3H3,(H,40,47)(H,41,49)(H,42,53)(H,43,51)(H,44,52)(H,45,48)(H,46,50)/t26-,27-,28-,29-,30-,31-/m0/s1
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0.631n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity towards 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))
BDBM50404017
PNG
(CHEMBL2112923)
Show SMILES O=C(C[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)CNC1=O)N1CCOCC1
Show InChI InChI=1S/C39H44N6O6/c46-35-22-28(23-36(47)45-15-17-51-18-16-45)37(48)41-25-30(19-26-9-3-1-4-10-26)42-38(49)33(20-27-11-5-2-6-12-27)44-39(50)34(43-35)21-29-24-40-32-14-8-7-13-31(29)32/h1-14,24,28,30,33-34,40H,15-23,25H2,(H,41,48)(H,42,49)(H,43,46)(H,44,50)/t28-,30-,33-,34-/m0/s1
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0.631n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A. Laboratori di Firenze

Curated by ChEMBL


Assay Description
In vitro functional activity towards Neurokinin NK2 receptor on isolated rabbit urinary bladder (RUB)


Bioorg Med Chem Lett 12: 693-6 (2002)


BindingDB Entry DOI: 10.7270/Q22N53FR
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50404023
PNG
(CHEMBL159449)
Show SMILES O=C(C[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C45H55N7O5/c53-41-27-33(28-42(54)52-22-18-36(19-23-52)51-20-10-3-11-21-51)43(55)47-30-35(24-31-12-4-1-5-13-31)48-44(56)39(25-32-14-6-2-7-15-32)50-45(57)40(49-41)26-34-29-46-38-17-9-8-16-37(34)38/h1-2,4-9,12-17,29,33,35-36,39-40,46H,3,10-11,18-28,30H2,(H,47,55)(H,48,56)(H,49,53)(H,50,57)/t33-,35+,39+,40-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A. Laboratori di Firenze

Curated by ChEMBL


Assay Description
In vitro functional activity towards Neurokinin NK2 receptor on isolated rabbit urinary bladder (RUB)


Bioorg Med Chem Lett 12: 693-6 (2002)


BindingDB Entry DOI: 10.7270/Q22N53FR
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50404021
PNG
(CHEMBL161242)
Show SMILES OCCOCCN1CCN(CC1)C(=O)C1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O
Show InChI InChI=1S/C42H51N7O7/c50-20-22-56-21-19-48-15-17-49(18-16-48)42(55)34-26-38(51)46-37(25-31-27-43-35-14-8-7-13-33(31)35)41(54)47-36(24-30-11-5-2-6-12-30)40(53)45-32(28-44-39(34)52)23-29-9-3-1-4-10-29/h1-14,27,32,34,36-37,43,50H,15-26,28H2,(H,44,52)(H,45,53)(H,46,51)(H,47,54)/t32-,34?,36-,37+/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A. Laboratori di Firenze

Curated by ChEMBL


Assay Description
In vitro functional activity towards Neurokinin NK2 receptor on isolated rabbit urinary bladder (RUB)


Bioorg Med Chem Lett 12: 693-6 (2002)


BindingDB Entry DOI: 10.7270/Q22N53FR
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50472917
PNG
(CHEMBL323884 | MEN-11749)
Show SMILES Fc1ccc(C[C@@H]2CNC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)cc1F
Show InChI InChI=1S/C33H33F2N5O4/c34-25-11-10-21(15-26(25)35)14-23-19-37-30(41)12-13-31(42)39-29(17-22-18-36-27-9-5-4-8-24(22)27)33(44)40-28(32(43)38-23)16-20-6-2-1-3-7-20/h1-11,15,18,23,28-29,36H,12-14,16-17,19H2,(H,37,41)(H,38,43)(H,39,42)(H,40,44)/t23-,28+,29+/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity towards 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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2n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A. Laboratori di Firenze

Curated by ChEMBL


Assay Description
Displacement of [125I]NKA from human Tachykinin receptor 2 expressed in CHO cells


Bioorg Med Chem Lett 12: 693-6 (2002)


BindingDB Entry DOI: 10.7270/Q22N53FR
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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2n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity towards 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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2.5n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity towards 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))
BDBM50404019
PNG
(CHEMBL345402)
Show SMILES CC(=O)NC1C(NC(=O)C2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)OC(CO)C(O)C1O
Show InChI InChI=1S/C42H49N7O10/c1-23(51)45-35-37(54)36(53)33(22-50)59-42(35)49-39(56)29-19-34(52)47-32(18-26-20-43-30-15-9-8-14-28(26)30)41(58)48-31(17-25-12-6-3-7-13-25)40(57)46-27(21-44-38(29)55)16-24-10-4-2-5-11-24/h2-15,20,27,29,31-33,35-37,42-43,50,53-54H,16-19,21-22H2,1H3,(H,44,55)(H,45,51)(H,46,57)(H,47,52)(H,48,58)(H,49,56)/t27-,29?,31-,32+,33?,35?,36?,37?,42?/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A. Laboratori di Firenze

Curated by ChEMBL


Assay Description
In vitro functional activity towards Neurokinin NK2 receptor on isolated rabbit urinary bladder (RUB)


Bioorg Med Chem Lett 12: 693-6 (2002)


BindingDB Entry DOI: 10.7270/Q22N53FR
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50470323
PNG
(CHEMBL327505)
Show SMILES CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1c(C)ncc(C)[n+]1[O-]
Show InChI InChI=1S/C27H28N8O/c1-4-5-10-25-29-24(26-19(3)28-15-18(2)35(26)36)17-34(25)16-20-11-13-21(14-12-20)22-8-6-7-9-23(22)27-30-32-33-31-27/h6-9,11-15,17H,4-5,10,16H2,1-3H3,(H,30,31,32,33)
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2.5n/an/an/an/an/an/an/an/a



Laboratori Guidotti S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]angiotensin II binding to rat adrenal cortex membrane containing angiotensin II receptor, type 1


J Med Chem 38: 2925-37 (1995)


Article DOI: 10.1021/jm00015a015
BindingDB Entry DOI: 10.7270/Q2697689
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50029895
PNG
(2-{4-Butyl-2-methyl-6-oxo-5-[2'-(1H-tetrazol-5-yl)...)
Show SMILES CCCCc1nc(C)n(Cc2occc2C(O)=O)c(=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C29H28N6O4/c1-3-4-9-25-24(28(36)35(18(2)30-25)17-26-23(29(37)38)14-15-39-26)16-19-10-12-20(13-11-19)21-7-5-6-8-22(21)27-31-33-34-32-27/h5-8,10-15H,3-4,9,16-17H2,1-2H3,(H,37,38)(H,31,32,33,34)
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>4n/an/an/an/an/an/an/an/a



Istituto Lusofarmaco

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin II type 2 receptor in bovine cerebellar cortical membranes; Inactive


J Med Chem 38: 4806-20 (1996)


BindingDB Entry DOI: 10.7270/Q2JQ101N
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50029905
PNG
(4'-(2-Butyl-4-methyl-6-oxo-6H-pyrimidin-1-ylmethyl...)
Show SMILES CCCCc1nc(C)cc(=O)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C23H24N2O3/c1-3-4-9-21-24-16(2)14-22(26)25(21)15-17-10-12-18(13-11-17)19-7-5-6-8-20(19)23(27)28/h5-8,10-14H,3-4,9,15H2,1-2H3,(H,27,28)
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>4n/an/an/an/an/an/an/an/a



Istituto Lusofarmaco

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin II type 2 receptor in bovine cerebellar cortical membranes; Inactive


J Med Chem 38: 4806-20 (1996)


BindingDB Entry DOI: 10.7270/Q2JQ101N
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50029899
PNG
(3-{4-Butyl-2-methyl-6-oxo-5-[2'-(1H-tetrazol-5-yl)...)
Show SMILES CCCCc1nc(C)n(Cc2ccsc2C(=O)OC)c(=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C30H30N6O3S/c1-4-5-10-26-25(29(37)36(19(2)31-26)18-22-15-16-40-27(22)30(38)39-3)17-20-11-13-21(14-12-20)23-8-6-7-9-24(23)28-32-34-35-33-28/h6-9,11-16H,4-5,10,17-18H2,1-3H3,(H,32,33,34,35)
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>4n/an/an/an/an/an/an/an/a



Istituto Lusofarmaco

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin II type 2 receptor in bovine cerebellar cortical membranes; Inactive


J Med Chem 38: 4806-20 (1996)


BindingDB Entry DOI: 10.7270/Q2JQ101N
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50029908
PNG
(4'-(4-Butyl-6-oxo-1-thiophen-2-ylmethyl-1,6-dihydr...)
Show SMILES CCCCc1ncn(Cc2cccs2)c(=O)c1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C27H26N2O3S/c1-2-3-10-25-24(26(30)29(18-28-25)17-21-7-6-15-33-21)16-19-11-13-20(14-12-19)22-8-4-5-9-23(22)27(31)32/h4-9,11-15,18H,2-3,10,16-17H2,1H3,(H,31,32)
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>4n/an/an/an/an/an/an/an/a



Istituto Lusofarmaco

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin II type 2 receptor in bovine cerebellar cortical membranes; Inactive


J Med Chem 38: 4806-20 (1996)


BindingDB Entry DOI: 10.7270/Q2JQ101N
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50029893
PNG
(2-[4-Butyl-5-(2'-carboxy-biphenyl-4-ylmethyl)-2-me...)
Show SMILES CCCCc1nc(C)n(Cc2occc2C(O)=O)c(=O)c1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C29H28N2O6/c1-3-4-9-25-24(27(32)31(18(2)30-25)17-26-23(29(35)36)14-15-37-26)16-19-10-12-20(13-11-19)21-7-5-6-8-22(21)28(33)34/h5-8,10-15H,3-4,9,16-17H2,1-2H3,(H,33,34)(H,35,36)
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>4n/an/an/an/an/an/an/an/a



Istituto Lusofarmaco

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin II type 2 receptor in bovine cerebellar cortical membranes; Inactive


J Med Chem 38: 4806-20 (1996)


BindingDB Entry DOI: 10.7270/Q2JQ101N
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50029906
PNG
(2-[4-Butyl-5-(2'-carboxy-biphenyl-4-ylmethyl)-2-me...)
Show SMILES CCCCc1nc(C)n(Cc2sccc2C(O)=O)c(=O)c1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C29H28N2O5S/c1-3-4-9-25-24(27(32)31(18(2)30-25)17-26-23(29(35)36)14-15-37-26)16-19-10-12-20(13-11-19)21-7-5-6-8-22(21)28(33)34/h5-8,10-15H,3-4,9,16-17H2,1-2H3,(H,33,34)(H,35,36)
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>4n/an/an/an/an/an/an/an/a



Istituto Lusofarmaco

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin II type 2 receptor in bovine cerebellar cortical membranes; Inactive


J Med Chem 38: 4806-20 (1996)


BindingDB Entry DOI: 10.7270/Q2JQ101N
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50029909
PNG
(4'-[4-Butyl-1-(2-carboxy-benzyl)-6-oxo-1,6-dihydro...)
Show SMILES CCCCc1ncn(Cc2ccccc2C(O)=O)c(=O)c1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C30H28N2O5/c1-2-3-12-27-26(28(33)32(19-31-27)18-22-8-4-5-10-24(22)29(34)35)17-20-13-15-21(16-14-20)23-9-6-7-11-25(23)30(36)37/h4-11,13-16,19H,2-3,12,17-18H2,1H3,(H,34,35)(H,36,37)
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>4n/an/an/an/an/an/an/an/a



Istituto Lusofarmaco

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin II type 2 receptor in bovine cerebellar cortical membranes; Inactive


J Med Chem 38: 4806-20 (1996)


BindingDB Entry DOI: 10.7270/Q2JQ101N
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50029907
PNG
(4'-(1-Benzyl-4-butyl-6-oxo-1,6-dihydro-pyrimidin-5...)
Show SMILES CCCCc1ncn(Cc2ccccc2)c(=O)c1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C29H28N2O3/c1-2-3-13-27-26(28(32)31(20-30-27)19-22-9-5-4-6-10-22)18-21-14-16-23(17-15-21)24-11-7-8-12-25(24)29(33)34/h4-12,14-17,20H,2-3,13,18-19H2,1H3,(H,33,34)
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>4n/an/an/an/an/an/an/an/a



Istituto Lusofarmaco

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin II type 2 receptor in bovine cerebellar cortical membranes; Inactive


J Med Chem 38: 4806-20 (1996)


BindingDB Entry DOI: 10.7270/Q2JQ101N
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50029910
PNG
(4'-(4-Butyl-6-oxo-1,6-dihydro-pyrimidin-5-ylmethyl...)
Show SMILES CCCCc1nc[nH]c(=O)c1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H22N2O3/c1-2-3-8-20-19(21(25)24-14-23-20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(26)27/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,26,27)(H,23,24,25)
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Istituto Lusofarmaco

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin II type 2 receptor in bovine cerebellar cortical membranes; Inactive


J Med Chem 38: 4806-20 (1996)


BindingDB Entry DOI: 10.7270/Q2JQ101N
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50029911
PNG
(2-{4-Butyl-2-methyl-6-oxo-5-[2'-(1H-tetrazol-5-yl)...)
Show SMILES CCCCc1nc(C)n(Cc2ccccc2C(O)=O)c(=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C31H30N6O3/c1-3-4-13-28-27(30(38)37(20(2)32-28)19-23-9-5-6-11-25(23)31(39)40)18-21-14-16-22(17-15-21)24-10-7-8-12-26(24)29-33-35-36-34-29/h5-12,14-17H,3-4,13,18-19H2,1-2H3,(H,39,40)(H,33,34,35,36)
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Istituto Lusofarmaco

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin II type 2 receptor in bovine cerebellar cortical membranes; Inactive


J Med Chem 38: 4806-20 (1996)


BindingDB Entry DOI: 10.7270/Q2JQ101N
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50029903
PNG
(3-Benzyl-6-butyl-2-methyl-5-[2'-(1H-tetrazol-5-yl)...)
Show SMILES CCCCc1nc(C)n(Cc2ccccc2)c(=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C30H30N6O/c1-3-4-14-28-27(30(37)36(21(2)31-28)20-23-10-6-5-7-11-23)19-22-15-17-24(18-16-22)25-12-8-9-13-26(25)29-32-34-35-33-29/h5-13,15-18H,3-4,14,19-20H2,1-2H3,(H,32,33,34,35)
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>4n/an/an/an/an/an/an/an/a



Istituto Lusofarmaco

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin II type 2 receptor in bovine cerebellar cortical membranes; Inactive


J Med Chem 38: 4806-20 (1996)


BindingDB Entry DOI: 10.7270/Q2JQ101N
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50404022
PNG
(CHEMBL2112926)
Show SMILES OCC(CO)NC(=O)C1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)CNC1=O
Show InChI InChI=1S/C37H42N6O7/c44-21-27(22-45)41-35(48)29-18-33(46)42-32(17-25-19-38-30-14-8-7-13-28(25)30)37(50)43-31(16-24-11-5-2-6-12-24)36(49)40-26(20-39-34(29)47)15-23-9-3-1-4-10-23/h1-14,19,26-27,29,31-32,38,44-45H,15-18,20-22H2,(H,39,47)(H,40,49)(H,41,48)(H,42,46)(H,43,50)/t26-,29?,31-,32-/m0/s1
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4n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A. Laboratori di Firenze

Curated by ChEMBL


Assay Description
In vitro functional activity towards Neurokinin NK2 receptor on isolated rabbit urinary bladder (RUB)


Bioorg Med Chem Lett 12: 693-6 (2002)


BindingDB Entry DOI: 10.7270/Q22N53FR
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50029894
PNG
(4'-(4-Butyl-2-methyl-6-oxo-1,6-dihydro-pyrimidin-5...)
Show SMILES CCCCc1nc(C)[nH]c(=O)c1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C23H24N2O3/c1-3-4-9-21-20(22(26)25-15(2)24-21)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)23(27)28/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,27,28)(H,24,25,26)
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>4n/an/an/an/an/an/an/an/a



Istituto Lusofarmaco

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin II type 2 receptor in bovine cerebellar cortical membranes; Inactive


J Med Chem 38: 4806-20 (1996)


BindingDB Entry DOI: 10.7270/Q2JQ101N
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50029904
PNG
(4'-[4-Butyl-1-(2-carboxy-benzyl)-2-methyl-6-oxo-1,...)
Show SMILES CCCCc1nc(C)n(Cc2ccccc2C(O)=O)c(=O)c1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C31H30N2O5/c1-3-4-13-28-27(18-21-14-16-22(17-15-21)24-10-7-8-12-26(24)31(37)38)29(34)33(20(2)32-28)19-23-9-5-6-11-25(23)30(35)36/h5-12,14-17H,3-4,13,18-19H2,1-2H3,(H,35,36)(H,37,38)
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Istituto Lusofarmaco

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin II type 2 receptor in bovine cerebellar cortical membranes; Inactive


J Med Chem 38: 4806-20 (1996)


BindingDB Entry DOI: 10.7270/Q2JQ101N
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50029902
PNG
(6-Butyl-2-methyl-5-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nc(C)[nH]c(=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C23H24N6O/c1-3-4-9-21-20(23(30)25-15(2)24-21)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)22-26-28-29-27-22/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,24,25,30)(H,26,27,28,29)
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Istituto Lusofarmaco

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin II type 2 receptor in bovine cerebellar cortical membranes; Inactive


J Med Chem 38: 4806-20 (1996)


BindingDB Entry DOI: 10.7270/Q2JQ101N
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50029897
PNG
(4'-[4-Butyl-1-(4-carboxy-benzyl)-6-oxo-1,6-dihydro...)
Show SMILES CCCCc1ncn(Cc2ccc(cc2)C(O)=O)c(=O)c1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C30H28N2O5/c1-2-3-8-27-26(28(33)32(19-31-27)18-21-11-15-23(16-12-21)29(34)35)17-20-9-13-22(14-10-20)24-6-4-5-7-25(24)30(36)37/h4-7,9-16,19H,2-3,8,17-18H2,1H3,(H,34,35)(H,36,37)
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>4n/an/an/an/an/an/an/an/a



Istituto Lusofarmaco

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin II type 2 receptor in bovine cerebellar cortical membranes; Inactive


J Med Chem 38: 4806-20 (1996)


BindingDB Entry DOI: 10.7270/Q2JQ101N
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50029901
PNG
(2-{4-Butyl-2-methyl-6-oxo-5-[2'-(1H-tetrazol-5-yl)...)
Show SMILES CCCCc1nc(C)n(Cc2occc2C(=O)OC)c(=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C30H30N6O4/c1-4-5-10-26-25(29(37)36(19(2)31-26)18-27-24(15-16-40-27)30(38)39-3)17-20-11-13-21(14-12-20)22-8-6-7-9-23(22)28-32-34-35-33-28/h6-9,11-16H,4-5,10,17-18H2,1-3H3,(H,32,33,34,35)
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Istituto Lusofarmaco

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin II type 2 receptor in bovine cerebellar cortical membranes; Inactive


J Med Chem 38: 4806-20 (1996)


BindingDB Entry DOI: 10.7270/Q2JQ101N
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50029892
PNG
(2-{4-Butyl-2-methyl-6-oxo-5-[2'-(1H-tetrazol-5-yl)...)
Show SMILES CCCCc1nc(C)n(Cc2sccc2C(O)=O)c(=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C29H28N6O3S/c1-3-4-9-25-24(28(36)35(18(2)30-25)17-26-23(29(37)38)14-15-39-26)16-19-10-12-20(13-11-19)21-7-5-6-8-22(21)27-31-33-34-32-27/h5-8,10-15H,3-4,9,16-17H2,1-2H3,(H,37,38)(H,31,32,33,34)
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Istituto Lusofarmaco

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin II type 2 receptor in bovine cerebellar cortical membranes; Inactive


J Med Chem 38: 4806-20 (1996)


BindingDB Entry DOI: 10.7270/Q2JQ101N
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50241501
PNG
(6-Butyl-2-methyl-5-[2'-(1H-tetrazol-5-yl)-biphenyl...)
Show SMILES CCCCc1nc(C)n(Cc2cccs2)c(=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C28H28N6OS/c1-3-4-11-26-25(28(35)34(19(2)29-26)18-22-8-7-16-36-22)17-20-12-14-21(15-13-20)23-9-5-6-10-24(23)27-30-32-33-31-27/h5-10,12-16H,3-4,11,17-18H2,1-2H3,(H,30,31,32,33)
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Istituto Lusofarmaco

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin II type 2 receptor in bovine cerebellar cortical membranes; Inactive


J Med Chem 38: 4806-20 (1996)


BindingDB Entry DOI: 10.7270/Q2JQ101N
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50241491
PNG
(2-{4-Butyl-2-methyl-6-oxo-5-[2'-(1H-tetrazol-5-yl)...)
Show SMILES CCCCc1nc(C)n(Cc2sccc2C(=O)OC)c(=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
Show InChI InChI=1S/C30H30N6O3S/c1-4-5-10-26-25(29(37)36(19(2)31-26)18-27-24(15-16-40-27)30(38)39-3)17-20-11-13-21(14-12-20)22-8-6-7-9-23(22)28-32-34-35-33-28/h6-9,11-16H,4-5,10,17-18H2,1-3H3,(H,32,33,34,35)
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Istituto Lusofarmaco

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin II type 2 receptor in bovine cerebellar cortical membranes; Inactive


J Med Chem 38: 4806-20 (1996)


BindingDB Entry DOI: 10.7270/Q2JQ101N
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Bos taurus)
BDBM50029896
PNG
(4'-(2-Butyl-6-oxo-6H-pyrimidin-1-ylmethyl)-bipheny...)
Show SMILES CCCCc1nccc(=O)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show InChI InChI=1S/C22H22N2O3/c1-2-3-8-20-23-14-13-21(25)24(20)15-16-9-11-17(12-10-16)18-6-4-5-7-19(18)22(26)27/h4-7,9-14H,2-3,8,15H2,1H3,(H,26,27)
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>4n/an/an/an/an/an/an/an/a



Istituto Lusofarmaco

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin II type 2 receptor in bovine cerebellar cortical membranes; Inactive


J Med Chem 38: 4806-20 (1996)


BindingDB Entry DOI: 10.7270/Q2JQ101N
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50470328
PNG
(CHEMBL317300)
Show SMILES CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1nc(C)c[n+]([O-])c1C
Show InChI InChI=1S/C27H28N8O/c1-4-5-10-25-29-24(26-19(3)35(36)15-18(2)28-26)17-34(25)16-20-11-13-21(14-12-20)22-8-6-7-9-23(22)27-30-32-33-31-27/h6-9,11-15,17H,4-5,10,16H2,1-3H3,(H,30,31,32,33)
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4.40n/an/an/an/an/an/an/an/a



Laboratori Guidotti S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]angiotensin II binding to rat adrenal cortex membrane containing angiotensin II receptor, type 1


J Med Chem 38: 2925-37 (1995)


Article DOI: 10.1021/jm00015a015
BindingDB Entry DOI: 10.7270/Q2697689
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50470310
PNG
(CHEMBL98592)
Show SMILES CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1c(ccc(C)[n+]1[O-])C(=O)OC
Show InChI InChI=1S/C29H29N7O3/c1-4-5-10-26-30-25(27-24(29(37)39-3)16-11-19(2)36(27)38)18-35(26)17-20-12-14-21(15-13-20)22-8-6-7-9-23(22)28-31-33-34-32-28/h6-9,11-16,18H,4-5,10,17H2,1-3H3,(H,31,32,33,34)
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4.5n/an/an/an/an/an/an/an/a



Laboratori Guidotti S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]angiotensin II binding to rat adrenal cortex membrane containing angiotensin II receptor, type 1


J Med Chem 38: 2925-37 (1995)


Article DOI: 10.1021/jm00015a015
BindingDB Entry DOI: 10.7270/Q2697689
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50404014
PNG
(CHEMBL159585)
Show SMILES O=C(C[C@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C45H55N7O5/c53-41-27-33(28-42(54)52-22-18-36(19-23-52)51-20-10-3-11-21-51)43(55)47-30-35(24-31-12-4-1-5-13-31)48-44(56)39(25-32-14-6-2-7-15-32)50-45(57)40(49-41)26-34-29-46-38-17-9-8-16-37(34)38/h1-2,4-9,12-17,29,33,35-36,39-40,46H,3,10-11,18-28,30H2,(H,47,55)(H,48,56)(H,49,53)(H,50,57)/t33-,35-,39-,40+/m1/s1
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5n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A. Laboratori di Firenze

Curated by ChEMBL


Assay Description
In vitro functional activity towards Neurokinin NK2 receptor on isolated rabbit urinary bladder (RUB)


Bioorg Med Chem Lett 12: 693-6 (2002)


BindingDB Entry DOI: 10.7270/Q22N53FR
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50404026
PNG
(CHEMBL350596)
Show SMILES CC(=O)NC1C(NC(=O)C[C@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)OC(CO)C(O)C1O
Show InChI InChI=1S/C43H51N7O10/c1-24(52)46-37-39(56)38(55)34(23-51)60-43(37)50-36(54)20-27-19-35(53)48-33(18-28-21-44-31-15-9-8-14-30(28)31)42(59)49-32(17-26-12-6-3-7-13-26)41(58)47-29(22-45-40(27)57)16-25-10-4-2-5-11-25/h2-15,21,27,29,32-34,37-39,43-44,51,55-56H,16-20,22-23H2,1H3,(H,45,57)(H,46,52)(H,47,58)(H,48,53)(H,49,59)(H,50,54)/t27-,29-,32-,33+,34?,37?,38?,39?,43?/m1/s1
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6.30n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A. Laboratori di Firenze

Curated by ChEMBL


Assay Description
In vitro functional activity towards Neurokinin NK2 receptor on isolated rabbit urinary bladder (RUB)


Bioorg Med Chem Lett 12: 693-6 (2002)


BindingDB Entry DOI: 10.7270/Q22N53FR
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50404024
PNG
(CHEMBL346285)
Show SMILES CN(C)CCNC(=O)C[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O
Show InChI InChI=1S/C39H47N7O5/c1-46(2)18-17-40-35(47)22-28-23-36(48)44-34(21-29-24-41-32-16-10-9-15-31(29)32)39(51)45-33(20-27-13-7-4-8-14-27)38(50)43-30(25-42-37(28)49)19-26-11-5-3-6-12-26/h3-16,24,28,30,33-34,41H,17-23,25H2,1-2H3,(H,40,47)(H,42,49)(H,43,50)(H,44,48)(H,45,51)/t28-,30-,33-,34+/m1/s1
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6.30n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A. Laboratori di Firenze

Curated by ChEMBL


Assay Description
In vitro functional activity towards Neurokinin NK2 receptor on isolated rabbit urinary bladder (RUB)


Bioorg Med Chem Lett 12: 693-6 (2002)


BindingDB Entry DOI: 10.7270/Q22N53FR
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50470321
PNG
(CHEMBL99008)
Show SMILES CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1nc(C)cnc1C
Show InChI InChI=1S/C27H28N8/c1-4-5-10-25-30-24(26-19(3)28-15-18(2)29-26)17-35(25)16-20-11-13-21(14-12-20)22-8-6-7-9-23(22)27-31-33-34-32-27/h6-9,11-15,17H,4-5,10,16H2,1-3H3,(H,31,32,33,34)
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7.70n/an/an/an/an/an/an/an/a



Laboratori Guidotti S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]angiotensin II binding to rat adrenal cortex membrane containing angiotensin II receptor, type 1


J Med Chem 38: 2925-37 (1995)


Article DOI: 10.1021/jm00015a015
BindingDB Entry DOI: 10.7270/Q2697689
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50472912
PNG
(CHEMBL116564 | MEN-11712)
Show SMILES O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc3ccccc3c2)CN1
Show InChI InChI=1S/C37H37N5O4/c43-34-16-17-35(44)41-33(21-28-22-38-31-13-7-6-12-30(28)31)37(46)42-32(20-24-8-2-1-3-9-24)36(45)40-29(23-39-34)19-25-14-15-26-10-4-5-11-27(26)18-25/h1-15,18,22,29,32-33,38H,16-17,19-21,23H2,(H,39,43)(H,40,45)(H,41,44)(H,42,46)/t29-,32+,33+/m1/s1
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7.90n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity towards 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))
BDBM50404015
PNG
(CHEMBL161288)
Show SMILES CC(=O)NC1C(NC(=O)C[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)OC(CO)C(O)C1O
Show InChI InChI=1S/C43H51N7O10/c1-24(52)46-37-39(56)38(55)34(23-51)60-43(37)50-36(54)20-27-19-35(53)48-33(18-28-21-44-31-15-9-8-14-30(28)31)42(59)49-32(17-26-12-6-3-7-13-26)41(58)47-29(22-45-40(27)57)16-25-10-4-2-5-11-25/h2-15,21,27,29,32-34,37-39,43-44,51,55-56H,16-20,22-23H2,1H3,(H,45,57)(H,46,52)(H,47,58)(H,48,53)(H,49,59)(H,50,54)/t27-,29+,32+,33-,34?,37?,38?,39?,43?/m0/s1
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7.90n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A. Laboratori di Firenze

Curated by ChEMBL


Assay Description
In vitro functional activity towards Neurokinin NK2 receptor on isolated rabbit urinary bladder (RUB)


Bioorg Med Chem Lett 12: 693-6 (2002)


BindingDB Entry DOI: 10.7270/Q22N53FR
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50470340
PNG
(CHEMBL98370)
Show SMILES CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1ccc(nn1)C(=O)OC
Show InChI InChI=1S/C27H26N8O2/c1-3-4-9-25-28-24(22-14-15-23(30-29-22)27(36)37-2)17-35(25)16-18-10-12-19(13-11-18)20-7-5-6-8-21(20)26-31-33-34-32-26/h5-8,10-15,17H,3-4,9,16H2,1-2H3,(H,31,32,33,34)
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8.80n/an/an/an/an/an/an/an/a



Laboratori Guidotti S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]angiotensin II binding to rat adrenal cortex membrane containing angiotensin II receptor, type 1


J Med Chem 38: 2925-37 (1995)


Article DOI: 10.1021/jm00015a015
BindingDB Entry DOI: 10.7270/Q2697689
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50470326
PNG
(CHEMBL319990)
Show SMILES CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1c(C(=O)OC)c(C)cc(C)[n+]1[O-]
Show InChI InChI=1S/C30H31N7O3/c1-5-6-11-26-31-25(28-27(30(38)40-4)19(2)16-20(3)37(28)39)18-36(26)17-21-12-14-22(15-13-21)23-9-7-8-10-24(23)29-32-34-35-33-29/h7-10,12-16,18H,5-6,11,17H2,1-4H3,(H,32,33,34,35)
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9.10n/an/an/an/an/an/an/an/a



Laboratori Guidotti S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]angiotensin II binding to rat adrenal cortex membrane containing angiotensin II receptor, type 1


J Med Chem 38: 2925-37 (1995)


Article DOI: 10.1021/jm00015a015
BindingDB Entry DOI: 10.7270/Q2697689
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50472910
PNG
(CHEMBL263194)
Show SMILES COc1ccc(CC2CNC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)cc1
Show InChI InChI=1S/C34H37N5O5/c1-44-26-13-11-23(12-14-26)17-25-21-36-31(40)15-16-32(41)38-30(19-24-20-35-28-10-6-5-9-27(24)28)34(43)39-29(33(42)37-25)18-22-7-3-2-4-8-22/h2-14,20,25,29-30,35H,15-19,21H2,1H3,(H,36,40)(H,37,42)(H,38,41)(H,39,43)/t25?,29-,30-/m0/s1
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10n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity towards 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))
BDBM50404018
PNG
(CHEMBL2112924)
Show SMILES OCC1OC(NC(=O)C[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc3ccccc3)CNC2=O)C(O)C(O)C1O
Show InChI InChI=1S/C41H48N6O10/c48-22-32-35(51)36(52)37(53)41(57-32)47-34(50)19-25-18-33(49)45-31(17-26-20-42-29-14-8-7-13-28(26)29)40(56)46-30(16-24-11-5-2-6-12-24)39(55)44-27(21-43-38(25)54)15-23-9-3-1-4-10-23/h1-14,20,25,27,30-32,35-37,41-42,48,51-53H,15-19,21-22H2,(H,43,54)(H,44,55)(H,45,49)(H,46,56)(H,47,50)/t25-,27-,30-,31-,32?,35?,36?,37?,41?/m0/s1
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10n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A. Laboratori di Firenze

Curated by ChEMBL


Assay Description
In vitro functional activity towards Neurokinin NK2 receptor on isolated rabbit urinary bladder (RUB)


Bioorg Med Chem Lett 12: 693-6 (2002)


BindingDB Entry DOI: 10.7270/Q22N53FR
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))
BDBM50472908
PNG
(CHEMBL336053)
Show SMILES O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCc2ccccc2)CN1
Show InChI InChI=1S/C34H37N5O4/c40-31-17-18-32(41)38-30(20-25-21-35-28-14-8-7-13-27(25)28)34(43)39-29(19-24-11-5-2-6-12-24)33(42)37-26(22-36-31)16-15-23-9-3-1-4-10-23/h1-14,21,26,29-30,35H,15-20,22H2,(H,36,40)(H,37,42)(H,38,41)(H,39,43)/t26-,29+,30+/m1/s1
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10n/an/an/an/an/an/an/an/a



Menarini Ricerche S.p.A.

Curated by ChEMBL


Assay Description
Binding affinity towards 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
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50470313
PNG
(CHEMBL441640)
Show SMILES CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1ccc(C)nn1
Show InChI InChI=1S/C26H26N8/c1-3-4-9-25-27-24(23-15-10-18(2)28-29-23)17-34(25)16-19-11-13-20(14-12-19)21-7-5-6-8-22(21)26-30-32-33-31-26/h5-8,10-15,17H,3-4,9,16H2,1-2H3,(H,30,31,32,33)
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12n/an/an/an/an/an/an/an/a



Laboratori Guidotti S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]angiotensin II binding to rat adrenal cortex membrane containing angiotensin II receptor, type 1


J Med Chem 38: 2925-37 (1995)


Article DOI: 10.1021/jm00015a015
BindingDB Entry DOI: 10.7270/Q2697689
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50470330
PNG
(CHEMBL318194)
Show SMILES CCCCc1nc(cn1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)-c1ccc(cn1)C(=O)OC
Show InChI InChI=1S/C28H27N7O2/c1-3-4-9-26-30-25(24-15-14-21(16-29-24)28(36)37-2)18-35(26)17-19-10-12-20(13-11-19)22-7-5-6-8-23(22)27-31-33-34-32-27/h5-8,10-16,18H,3-4,9,17H2,1-2H3,(H,31,32,33,34)
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12n/an/an/an/an/an/an/an/a



Laboratori Guidotti S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of [3H]angiotensin II binding to rat adrenal cortex membrane containing angiotensin II receptor, type 1


J Med Chem 38: 2925-37 (1995)


Article DOI: 10.1021/jm00015a015
BindingDB Entry DOI: 10.7270/Q2697689
More data for this
Ligand-Target Pair
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