BindingDB logo
myBDB logout

PubMed code 11844703

Compile data set for download or QSAR
Found 14 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
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 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))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 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))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 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))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 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))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 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))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 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))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 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
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 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
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 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))		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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 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
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 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
* indicates data uncertainty>20%