BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1221 hits Enz. Inhib. hit(s) with Target = 'Neurokinin 2 receptor'   
Target
(Institution)
LigandTarget
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
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50071484
PNG
(CHEMBL308148 | N-[(R)-4-(4-Acetylamino-4-phenyl-pi...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 0.130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cloned human NK2 (Neurokinin 2) receptor, stably expressed in chinese hamster ovary (CHO) cells was determined


Bioorg Med Chem Lett 8: 2259-62 (1999)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM97489
PNG
(US8470816, 632)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)CO)C(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H30Cl2F3N3O4/c1-34(26(39)17-2-5-20(6-3-17)28(31,32)33)24-10-13-36(15-21(24)19-4-7-22(29)23(30)14-19)27(40)18-8-11-35(12-9-18)25(38)16-37/h2-7,14,18,21,24,37H,8-13,15-16H2,1H3/t21-,24+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.220n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.


US Patent US8470816 (2013)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM97485
PNG
(US8470816, 458)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)CO)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H30Cl3N3O4/c1-31(26(36)17-2-5-20(28)6-3-17)24-10-13-33(15-21(24)19-4-7-22(29)23(30)14-19)27(37)18-8-11-32(12-9-18)25(35)16-34/h2-7,14,18,21,24,34H,8-13,15-16H2,1H3/t21-,24+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.220n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.


US Patent US8470816 (2013)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM97486
PNG
(US8470816, 464)
Show SMILES CN([C@@H]1CCN(CC2CCN(CC2)C(C)=O)C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H32Cl3N3O2/c1-18(34)33-13-9-19(10-14-33)16-32-12-11-26(23(17-32)21-5-8-24(29)25(30)15-21)31(2)27(35)20-3-6-22(28)7-4-20/h3-8,15,19,23,26H,9-14,16-17H2,1-2H3/t23-,26+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.220n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.


US Patent US8470816 (2013)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM97481
PNG
(US8470816, 265)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H30Cl2F3N3O3/c1-17(37)35-12-9-19(10-13-35)27(39)36-14-11-25(22(16-36)20-5-8-23(29)24(30)15-20)34(2)26(38)18-3-6-21(7-4-18)28(31,32)33/h3-8,15,19,22,25H,9-14,16H2,1-2H3/t22-,25+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.230n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.


US Patent US8470816 (2013)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM97490
PNG
(US8470816, 633)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)CO)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C27H30BrCl2N3O4/c1-31(26(36)17-2-5-20(28)6-3-17)24-10-13-33(15-21(24)19-4-7-22(29)23(30)14-19)27(37)18-8-11-32(12-9-18)25(35)16-34/h2-7,14,18,21,24,34H,8-13,15-16H2,1H3/t21-,24+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.240n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.


US Patent US8470816 (2013)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM97483
PNG
(US8470816, 292)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(cc1)C1CC1
Show InChI InChI=1S/C30H35Cl2N3O3/c1-19(36)34-14-11-23(12-15-34)30(38)35-16-13-28(25(18-35)24-9-10-26(31)27(32)17-24)33(2)29(37)22-7-5-21(6-8-22)20-3-4-20/h5-10,17,20,23,25,28H,3-4,11-16,18H2,1-2H3/t25-,28+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.25n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.


US Patent US8470816 (2013)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM97479
PNG
(US8470816, 251a)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H30Cl3N3O3/c1-17(34)32-12-9-19(10-13-32)27(36)33-14-11-25(22(16-33)20-5-8-23(29)24(30)15-20)31(2)26(35)18-3-6-21(28)7-4-18/h3-8,15,19,22,25H,9-14,16H2,1-2H3/t22-,25+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.310n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.


US Patent US8470816 (2013)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM97487
PNG
(US8470816, 623)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)C1(O)CC1)C(=O)c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C33H40Cl2N4O5/c1-36(30(40)22-2-5-25(6-3-22)37-16-18-44-19-17-37)29-10-15-39(21-26(29)24-4-7-27(34)28(35)20-24)31(41)23-8-13-38(14-9-23)32(42)33(43)11-12-33/h2-7,20,23,26,29,43H,8-19,21H2,1H3/t26-,29+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.310n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.


US Patent US8470816 (2013)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM97491
PNG
(US8470816, 635)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(=O)CO)C(=O)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C27H29Cl2F3N4O4/c1-34(26(40)22-5-3-18(13-33-22)27(30,31)32)23-8-11-36(14-19(23)17-2-4-20(28)21(29)12-17)25(39)16-6-9-35(10-7-16)24(38)15-37/h2-5,12-13,16,19,23,37H,6-11,14-15H2,1H3/t19-,23+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 0.360n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.


US Patent US8470816 (2013)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50170968
PNG
((S)-5-(3,4-Dichloro-phenyl)-1-(4,4-difluoro-cycloh...)
Show SMILES FC1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CCC(F)(F)CC3)C2)c2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C28H38Cl2F3N3O/c29-24-2-1-21(15-25(24)30)27(11-14-34-17-23(18-34)35-12-6-22(31)7-13-35)8-5-26(37)36(19-27)16-20-3-9-28(32,33)10-4-20/h1-2,15,20,22-23H,3-14,16-19H2/t27-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Neurokinin 2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM97482
PNG
(US8470816, 268)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C31H38Cl2N4O4/c1-21(38)35-12-9-23(10-13-35)31(40)37-14-11-29(26(20-37)24-5-8-27(32)28(33)19-24)34(2)30(39)22-3-6-25(7-4-22)36-15-17-41-18-16-36/h3-8,19,23,26,29H,9-18,20H2,1-2H3/t26-,29+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.420n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.


US Patent US8470816 (2013)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50071484
PNG
(CHEMBL308148 | N-[(R)-4-(4-Acetylamino-4-phenyl-pi...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
n/an/a 0.440n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM97472
PNG
(US8470816, 18)
Show SMILES CN([C@@H]1CCN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C27H30BrCl2N3O3/c1-17(34)32-12-9-19(10-13-32)27(36)33-14-11-25(22(16-33)20-5-8-23(29)24(30)15-20)31(2)26(35)18-3-6-21(28)7-4-18/h3-8,15,19,22,25H,9-14,16H2,1-2H3/t22?,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.450n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.


US Patent US8470816 (2013)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM97488
PNG
(US8470816, 629)
Show SMILES CCOc1cc(C=O)ccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C29H36Cl2N4O4/c1-33(28(36)19-2-5-21(6-3-19)34-11-14-38-15-12-34)27-8-10-35(29(37)22-9-13-39-18-26(22)32)17-23(27)20-4-7-24(30)25(31)16-20/h2-7,16,22-23,26-27H,8-15,17-18,32H2,1H3/t22?,23-,26+,27+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.550n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.


US Patent US8470816 (2013)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM97480
PNG
(US8470816, 252)
Show SMILES COc1ccc(cc1)C(=O)N(C)[C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C28H33Cl2N3O4/c1-18(34)32-13-10-20(11-14-32)28(36)33-15-12-26(23(17-33)21-6-9-24(29)25(30)16-21)31(2)27(35)19-4-7-22(37-3)8-5-19/h4-9,16,20,23,26H,10-15,17H2,1-3H3/t23-,26+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.560n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.


US Patent US8470816 (2013)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50409627
PNG
(CHEMBL185572)
Show SMILES Clc1ccc(cc1Cl)[C@@]1(CCN2CC(C2)N2CCOCC2)CCC(=O)N(CC2CCCCC2)C1
Show InChI InChI=1S/C27H39Cl2N3O2/c28-24-7-6-22(16-25(24)29)27(10-11-30-18-23(19-30)31-12-14-34-15-13-31)9-8-26(33)32(20-27)17-21-4-2-1-3-5-21/h6-7,16,21,23H,1-5,8-15,17-20H2/t27-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.790n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Neurokinin 2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM97478
PNG
(US8470816, 91)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C29H29Cl2F6N3O3/c1-16(41)39-8-5-17(6-9-39)27(43)40-10-7-25(22(15-40)18-3-4-23(30)24(31)13-18)38(2)26(42)19-11-20(28(32,33)34)14-21(12-19)29(35,36)37/h3-4,11-14,17,22,25H,5-10,15H2,1-2H3/t22-,25+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.790n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.


US Patent US8470816 (2013)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50071484
PNG
(CHEMBL308148 | N-[(R)-4-(4-Acetylamino-4-phenyl-pi...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
n/an/a 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity was determined against human NK2 receptor in CHO cells using [125I]-neurokinin A as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM97484
PNG
(US8470816, 318)
Show SMILES CN([C@@H]1CCN(C[C@H]1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(Br)cn1
Show InChI InChI=1S/C26H29BrCl2N4O3/c1-16(34)32-10-7-17(8-11-32)25(35)33-12-9-24(20(15-33)18-3-5-21(28)22(29)13-18)31(2)26(36)23-6-4-19(27)14-30-23/h3-6,13-14,17,20,24H,7-12,15H2,1-2H3/t20-,24+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 0.820n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.


US Patent US8470816 (2013)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50410049
PNG
(CHEMBL434142)
Show SMILES NC1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CCC(F)(F)CC3)C2)c2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C28H40Cl2F2N4O/c29-24-2-1-21(15-25(24)30)27(11-14-34-17-23(18-34)35-12-6-22(33)7-13-35)8-5-26(37)36(19-27)16-20-3-9-28(31,32)10-4-20/h1-2,15,20,22-23H,3-14,16-19,33H2/t27-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Neurokinin 2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM97475
PNG
(US8470816, 30)
Show SMILES CN([C@@H]1CCN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H30Cl3N3O3/c1-17(34)32-12-9-19(10-13-32)27(36)33-14-11-25(22(16-33)20-5-8-23(29)24(30)15-20)31(2)26(35)18-3-6-21(28)7-4-18/h3-8,15,19,22,25H,9-14,16H2,1-2H3/t22?,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 1.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.


US Patent US8470816 (2013)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50410051
PNG
(CHEMBL185182)
Show SMILES CS(=O)(=O)N1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CCC(F)(F)CC3)C2)c2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C28H40Cl2F2N4O3S/c1-40(38,39)36-14-12-34(13-15-36)23-18-33(19-23)11-10-27(22-2-3-24(29)25(30)16-22)7-6-26(37)35(20-27)17-21-4-8-28(31,32)9-5-21/h2-3,16,21,23H,4-15,17-20H2,1H3/t27-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Neurokinin 2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50410048
PNG
(CHEMBL434548)
Show SMILES OC1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CCC(F)(F)CC3)C2)c2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C28H39Cl2F2N3O2/c29-24-2-1-21(15-25(24)30)27(11-14-33-17-22(18-33)34-12-6-23(36)7-13-34)8-5-26(37)35(19-27)16-20-3-9-28(31,32)10-4-20/h1-2,15,20,22-23,36H,3-14,16-19H2/t27-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Neurokinin 2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM97476
PNG
(US8470816, 31)
Show SMILES CN([C@@H]1CCN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C33H35Cl2N3O3/c1-22(39)37-17-14-26(15-18-37)33(41)38-19-16-31(28(21-38)27-12-13-29(34)30(35)20-27)36(2)32(40)25-10-8-24(9-11-25)23-6-4-3-5-7-23/h3-13,20,26,28,31H,14-19,21H2,1-2H3/t28?,31-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 1.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.


US Patent US8470816 (2013)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50001447
PNG
(CHEMBL217406 | His-Lys-Thr-Asp-Ser-Phe-Val-Gly-Leu...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)C)C(N)=O
Show InChI InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)/t28-,31+,32+,33+,34+,35+,36+,37+,40+,41+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Creighton University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory activity against human Tachykinin receptor 2


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM106976
PNG
(US8592454, 66)
Show SMILES CN([C@@H]1CN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C29H30Cl2F6N4O3/c1-16(42)40-8-6-17(7-9-40)26(43)41-14-22(18-4-5-23(30)24(31)10-18)25(15-41)39(3)27(44)38(2)21-12-19(28(32,33)34)11-20(13-21)29(35,36)37/h4-5,10-13,17,22,25H,6-9,14-15H2,1-3H3/t22?,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 2n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.


US Patent US8592454 (2013)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM97474
PNG
(US8470816, 24)
Show SMILES CN([C@@H]1CCN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C28H33Cl2N3O3/c1-18-4-6-20(7-5-18)27(35)31(3)26-12-15-33(17-23(26)22-8-9-24(29)25(30)16-22)28(36)21-10-13-32(14-11-21)19(2)34/h4-9,16,21,23,26H,10-15,17H2,1-3H3/t23?,26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 2n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.


US Patent US8470816 (2013)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Mus musculus)
BDBM50290298
PNG
((1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimet...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(=O)N2CCOCC2)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C38H45Cl2N3O6/c1-46-32-23-27(24-33(47-2)34(32)48-3)35(44)43-18-12-37(26-43,29-9-10-30(39)31(40)25-29)11-15-41-16-13-38(14-17-41,28-7-5-4-6-8-28)36(45)42-19-21-49-22-20-42/h4-10,23-25H,11-22,26H2,1-3H3/t37-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
n/an/a 2.05n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK2 receptor in HSKR-1 cells was determined by using [125 I ]-Iodohistidyl NKA.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Mus musculus)
BDBM50290306
PNG
((1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimet...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(=O)N2CCN(C)CC2)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C39H48Cl2N4O5/c1-42-20-22-44(23-21-42)37(47)39(29-8-6-5-7-9-29)14-17-43(18-15-39)16-12-38(30-10-11-31(40)32(41)26-30)13-19-45(27-38)36(46)28-24-33(48-2)35(50-4)34(25-28)49-3/h5-11,24-26H,12-23,27H2,1-4H3/t38-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
n/an/a 2.19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK2 receptor in HSKR-1 cells was determined by using [125 I ]-Iodohistidyl NKA.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM97477
PNG
(US8470816, 82)
Show SMILES CN([C@@H]1CN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCC(CC1)C(C)=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C29H28Cl2F6N2O3/c1-15(40)16-3-5-17(6-4-16)27(42)39-13-22(18-7-8-23(30)24(31)11-18)25(14-39)38(2)26(41)19-9-20(28(32,33)34)12-21(10-19)29(35,36)37/h7-12,16-17,22,25H,3-6,13-14H2,1-2H3/t16?,17?,22?,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 2.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.


US Patent US8470816 (2013)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50070352
PNG
(1-benzyl-5-(3,4-dichlorophenyl)-5-{3-[1-methylsulf...)
Show SMILES CS(=O)(=O)N1CC2(CCN(CCCC3(CCC(=O)N(Cc4ccccc4)C3)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc12
Show InChI InChI=1S/C34H39Cl2N3O3S/c1-43(41,42)39-25-34(28-10-5-6-11-31(28)39)17-20-37(21-18-34)19-7-15-33(27-12-13-29(35)30(36)22-27)16-14-32(40)38(24-33)23-26-8-3-2-4-9-26/h2-6,8-13,22H,7,14-21,23-25H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards human Neurokinin NK2 receptor


Bioorg Med Chem Lett 8: 1343-8 (1999)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50175505
PNG
(1-{2-[1-Benzoyl-3-((S)-3,4-dichloro-phenyl)-pyrrol...)
Show SMILES NC(=O)C1(CCN(CC[C@]2(CCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C31H33Cl2N3O2/c32-26-12-11-25(21-27(26)33)30(14-20-36(22-30)28(37)23-7-3-1-4-8-23)13-17-35-18-15-31(16-19-35,29(34)38)24-9-5-2-6-10-24/h1-12,21H,13-20,22H2,(H2,34,38)/t30-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against tachykinin receptor 2


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM97473
PNG
(US8470816, 21)
Show SMILES COc1ccc(cc1)C(=O)N(C)[C@@H]1CCN(CC1c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C28H33Cl2N3O4/c1-18(34)32-13-10-20(11-14-32)28(36)33-15-12-26(23(17-33)21-6-9-24(29)25(30)16-21)31(2)27(35)19-4-7-22(37-3)8-5-19/h4-9,16,20,23,26H,10-15,17H2,1-3H3/t23?,26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 2.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligan receptor binding inhibitory activity using membrane fraction of CHO cell expressing human NK receptors.


US Patent US8470816 (2013)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM106981
PNG
(US8592454, 308)
Show SMILES CN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(=O)C(C)(C)O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C31H35F7N4O4/c1-29(2,46)27(44)41-11-9-19(10-12-41)26(43)42-16-24(18-5-7-22(32)8-6-18)25(17-42)40(4)28(45)39(3)23-14-20(30(33,34)35)13-21(15-23)31(36,37)38/h5-8,13-15,19,24-25,46H,9-12,16-17H2,1-4H3/t24-,25+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 2.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Radioligand receptor binding inhibitory assay using human NK receptor.


US Patent US8592454 (2013)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50070358
PNG
(8-{3-[1-Benzyl-3-(3,4-dichloro-phenyl)-6-oxo-piper...)
Show SMILES Clc1ccc(cc1Cl)C1(CCCN2CCC3(CN(NC3=O)c3ccccc3)CC2)CCC(=O)N(Cc2ccccc2)C1
Show InChI InChI=1S/C34H38Cl2N4O2/c35-29-13-12-27(22-30(29)36)33(16-14-31(41)39(24-33)23-26-8-3-1-4-9-26)15-7-19-38-20-17-34(18-21-38)25-40(37-32(34)42)28-10-5-2-6-11-28/h1-6,8-13,22H,7,14-21,23-25H2,(H,37,42)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards human Neurokinin NK2 receptor


Bioorg Med Chem Lett 8: 1343-8 (1999)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50435131
PNG
(CHEMBL2390989)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C35H56N8O10/c1-6-7-13-23(30(37)48)40-32(50)24(14-19(2)3)39-27(45)17-38-35(53)29(20(4)5)43-33(51)25(15-21-11-9-8-10-12-21)41-34(52)26(18-44)42-31(49)22(36)16-28(46)47/h8-12,19-20,22-26,29,44H,6-7,13-18,36H2,1-5H3,(H2,37,48)(H,38,53)(H,39,45)(H,40,50)(H,41,52)(H,42,49)(H,43,51)(H,46,47)/t22-,23-,24-,25-,26-,29-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Binding affinity to human NK2 receptor by radioligand displacement assay


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50410054
PNG
(CHEMBL185133)
Show SMILES FC1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CCC3CC3)C2)c2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C26H36Cl2FN3O/c27-23-4-3-20(15-24(23)28)26(9-5-25(33)32(18-26)11-6-19-1-2-19)10-14-30-16-22(17-30)31-12-7-21(29)8-13-31/h3-4,15,19,21-22H,1-2,5-14,16-18H2/t26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Neurokinin 2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50097911
PNG
(3-[2-(4-Benzenesulfinylmethyl-4-methoxy-piperidin-...)
Show SMILES COC1(CS(=O)c2ccccc2)CCN(CCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C23H27FN2O2S/c1-28-23(17-29(27)20-5-3-2-4-6-20)10-13-26(14-11-23)12-9-18-16-25-22-8-7-19(24)15-21(18)22/h2-8,15-16,25H,9-14,17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 2.5n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Binding affinity of the compound for heterologously expressed human Tachykinin receptor 2 using [3H]-SR- 48968 as radioligand


Bioorg Med Chem Lett 11: 819-22 (2001)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(GUINEA PIG)
BDBM50403793
PNG
(CHEMBL2115415)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCO[C@@](CCN2CCC3(CC2)c2ccccc2C[S@@]3=O)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H38Cl2N2O6S/c1-41-29-18-24(19-30(42-2)31(29)43-3)32(39)38-16-17-44-33(22-38,25-8-9-27(35)28(36)20-25)10-13-37-14-11-34(12-15-37)26-7-5-4-6-23(26)21-45(34)40/h4-9,18-20H,10-17,21-22H2,1-3H3/t33-,45-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for its ability to displace [3H]-SP from Tachykinin receptor 2 of male guinea pig lung membrane


Bioorg Med Chem Lett 10: 1665-8 (2000)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Mus musculus)
BDBM50290303
PNG
((1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)(C(=O)N2CCN(C)CC2)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C39H48Cl2N4O5/c1-42-20-22-44(23-21-42)37(47)39(29-8-6-5-7-9-29)14-17-43(18-15-39)16-12-38(30-10-11-31(40)32(41)26-30)13-19-45(27-38)36(46)28-24-33(48-2)35(50-4)34(25-28)49-3/h5-11,24-26H,12-23,27H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
n/an/a 3.13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK2 receptor in HSKR-1 cells was determined by using [125 I ]-Iodohistidyl NKA.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50410052
PNG
(CHEMBL367815)
Show SMILES FC1(F)CCC(CN2C[C@](CCN3CC(C3)N3CCC(=O)CC3)(CCC2=O)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C28H37Cl2F2N3O2/c29-24-2-1-21(15-25(24)30)27(11-14-33-17-22(18-33)34-12-6-23(36)7-13-34)8-5-26(37)35(19-27)16-20-3-9-28(31,32)10-4-20/h1-2,15,20,22H,3-14,16-19H2/t27-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Neurokinin 2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Mus musculus)
BDBM50290312
PNG
((1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)(C(=O)N2CCOCC2)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C38H45Cl2N3O6/c1-46-32-23-27(24-33(47-2)34(32)48-3)35(44)43-18-12-37(26-43,29-9-10-30(39)31(40)25-29)11-15-41-16-13-38(14-17-41,28-7-5-4-6-8-28)36(45)42-19-21-49-22-20-42/h4-10,23-25H,11-22,26H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
n/an/a 3.64n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK2 receptor in HSKR-1 cells was determined by using [125 I ]-Iodohistidyl NKA.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50070356
PNG
(5-[3-(4-Acetyl-4-phenyl-piperidin-1-yl)-propyl]-1-...)
Show SMILES CC(=O)C1(CCN(CCCC2(CCC(=O)N(Cc3ccccc3)C2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C34H38Cl2N2O2/c1-26(39)34(28-11-6-3-7-12-28)18-21-37(22-19-34)20-8-16-33(29-13-14-30(35)31(36)23-29)17-15-32(40)38(25-33)24-27-9-4-2-5-10-27/h2-7,9-14,23H,8,15-22,24-25H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 3.90n/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Compound was evaluated for affinity towards human Neurokinin NK2 receptor


Bioorg Med Chem Lett 8: 1343-8 (1999)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50410047
PNG
(CHEMBL365613 | UK-224671)
Show SMILES NS(=O)(=O)N1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CC3)C2)c2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C24H35Cl2N5O3S/c25-21-4-3-19(13-22(21)26)24(6-5-23(32)30(17-24)14-18-1-2-18)7-8-28-15-20(16-28)29-9-11-31(12-10-29)35(27,33)34/h3-4,13,18,20H,1-2,5-12,14-17H2,(H2,27,33,34)/t24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Neurokinin 2 receptor


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50289182
PNG
(1-{2-[1-(3,5-Dibromo-4-methoxy-benzoyl)-3-(3,4-dic...)
Show SMILES COc1c(Br)cc(cc1Br)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H33Br2Cl2N3O3/c1-42-28-24(33)17-21(18-25(28)34)29(40)39-16-10-31(20-39,23-7-8-26(35)27(36)19-23)9-13-38-14-11-32(12-15-38,30(37)41)22-5-3-2-4-6-22/h2-8,17-19H,9-16,20H2,1H3,(H2,37,41)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
n/an/a 4.04n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKA


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Mus musculus)
BDBM50290313
PNG
((1'-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trime...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(=O)N2CCN(C)CC2)c2cccnc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C38H47Cl2N5O5/c1-42-18-20-44(21-19-42)36(47)38(29-6-5-13-41-25-29)11-15-43(16-12-38)14-9-37(28-7-8-30(39)31(40)24-28)10-17-45(26-37)35(46)27-22-32(48-2)34(50-4)33(23-27)49-3/h5-8,13,22-25H,9-12,14-21,26H2,1-4H3/t37-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
n/an/a 4.51n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK2 receptor in HSKR-1 cells was determined by using [125 I ]-Iodohistidyl NKA.


Citation and Details
More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50106891
PNG
(3-[N'-(3,5-Bis-trifluoromethyl-benzoyl)-N-(3,4-dic...)
Show SMILES CN(N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H26Cl2F6N4O3/c1-37(24(41)16-11-17(25(29,30)31)13-18(12-16)26(32,33)34)38(14-15-5-6-19(27)20(28)10-15)9-7-22(39)36-21-4-2-3-8-35-23(21)40/h5-6,10-13,21H,2-4,7-9,14H2,1H3,(H,35,40)(H,36,39)/t21-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 5.5n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand


Bioorg Med Chem Lett 11: 3081-4 (2001)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50106892
PNG
(3-[4-(3,4-dichlorophenyl)-3-[3,5-di(trifluoromethy...)
Show SMILES CN([C@H](Cc1ccc(Cl)c(Cl)c1)\C=C\C(=O)N[C@@H]1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H25Cl2F6N3O3/c1-38(25(41)16-12-17(26(30,31)32)14-18(13-16)27(33,34)35)19(10-15-5-7-20(28)21(29)11-15)6-8-23(39)37-22-4-2-3-9-36-24(22)40/h5-8,11-14,19,22H,2-4,9-10H2,1H3,(H,36,40)(H,37,39)/b8-6+/t19-,22+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 5.5n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro binding affinity for Tachykinin receptor 2 of human-CHO cells using 125 I-NKA radioligand


Bioorg Med Chem Lett 11: 3081-4 (2001)

More data for this
Ligand-Target Pair
Neurokinin 2 receptor


(Homo sapiens (Human))
BDBM50097912
PNG
(3-(1-{2-[(R)-4-Benzoyl-2-(3,4-difluoro-phenyl)-mor...)
Show SMILES CN(C)C(=O)NC1(CCN(CC[C@]2(CN(CCO2)C(=O)c2ccccc2)c2ccc(F)c(F)c2)CC1)c1ccccc1
Show InChI InChI=1S/C33H38F2N4O3/c1-37(2)31(41)36-32(26-11-7-4-8-12-26)15-18-38(19-16-32)20-17-33(27-13-14-28(34)29(35)23-27)24-39(21-22-42-33)30(40)25-9-5-3-6-10-25/h3-14,23H,15-22,24H2,1-2H3,(H,36,41)/t33-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
PubMed
n/an/a 6n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Binding affinity of the compound for heterologously expressed human Tachykinin receptor 2 using [3H]-SR- 48968 as radioligand


Bioorg Med Chem Lett 11: 819-22 (2001)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1221 total )  |  Next  |  Last  >>
Jump to: