BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 161 hits Enz. Inhib. hit(s) with Target = 'TACR2' AND taxid = 10090   
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
TACR2


(mouse)
BDBM50281769
PNG
(Acetic acid 1-[4-(benzoyl-methyl-amino)-3-(3,4-dic...)
Show SMILES CN(CC(CCN1CCC(CC1)(OC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C31H34Cl2N2O3/c1-23(36)38-31(27-11-7-4-8-12-27)16-19-35(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-34(2)30(37)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
0.300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NKA binding to neurokinin NK2 receptor from rat duodenum membranes


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50281767
PNG
(Acetic acid 1-{3-(3,4-dichloro-phenyl)-4-[ethyl-(t...)
Show SMILES CCN(CC(CCN1CCC(CC1)(OC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccs1
Show InChI InChI=1S/C30H34Cl2N2O3S/c1-3-34(29(36)28-10-7-19-38-28)21-24(23-11-12-26(31)27(32)20-23)13-16-33-17-14-30(15-18-33,37-22(2)35)25-8-5-4-6-9-25/h4-12,19-20,24H,3,13-18,21H2,1-2H3
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
0.300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NKA binding to neurokinin NK2 receptor from rat duodenum membranes


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
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

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
0.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NKA binding to neurokinin NK2 receptor from rat duodenum membranes


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50291261
PNG
((S)-(+)-N-((3-[1-Benzoyl-3-(3,4-dichlorophenyl)pip...)
Show SMILES CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1
Reactome pathway

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
0.510n/an/an/an/an/an/an/an/a



SmithKline Beecham S.p.A.

Curated by ChEMBL


Assay Description
Ability to displace [125I]NKA from Tachykinin receptor 2 in rat deodenum membrane


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM81942
PNG
(CAS_55582 | NKA | NSC_55582 | Neurokinin alpha | S...)
Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(N)Cc1cnc[nH]1)C(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)
Reactome pathway

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
0.760n/an/an/an/an/an/an/an/a



Sanofi-Synthélabo Recherche

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50281771
PNG
(CHEMBL173841 | N-[2-(3,4-Dichloro-phenyl)-4-(4-eth...)
Show SMILES CCOC1(CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C31H36Cl2N2O2/c1-3-37-31(27-12-8-5-9-13-27)17-20-35(21-18-31)19-16-26(25-14-15-28(32)29(33)22-25)23-34(2)30(36)24-10-6-4-7-11-24/h4-15,22,26H,3,16-21,23H2,1-2H3
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
0.900n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NKA binding to neurokinin NK2 receptor from rat duodenum membranes


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50129513
PNG
(CHEMBL71397 | N-[2-(3,4-Dichloro-phenyl)-4-(4-hydr...)
Show SMILES CN(CC(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32Cl2N2O2/c1-32(28(34)22-8-4-2-5-9-22)21-24(23-12-13-26(30)27(31)20-23)14-17-33-18-15-29(35,16-19-33)25-10-6-3-7-11-25/h2-13,20,24,35H,14-19,21H2,1H3
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NKA binding to neurokinin NK2 receptor from rat duodenum membranes


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50281768
PNG
(CHEMBL176588 | Thiophene-3-carboxylic acid [2-(3,4...)
Show SMILES CN(CC(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccsc1
Show InChI InChI=1S/C27H30Cl2N2O2S/c1-30(26(32)22-10-16-34-19-22)18-21(20-7-8-24(28)25(29)17-20)9-13-31-14-11-27(33,12-15-31)23-5-3-2-4-6-23/h2-8,10,16-17,19,21,33H,9,11-15,18H2,1H3
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NKA binding to neurokinin NK2 receptor from rat duodenum membranes


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50281766
PNG
(CHEMBL173008 | Thiophene-2-carboxylic acid [2-(3,4...)
Show SMILES CN(CC(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccs1
Show InChI InChI=1S/C27H30Cl2N2O2S/c1-30(26(32)25-8-5-17-34-25)19-21(20-9-10-23(28)24(29)18-20)11-14-31-15-12-27(33,13-16-31)22-6-3-2-4-7-22/h2-10,17-18,21,33H,11-16,19H2,1H3
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NKA binding to neurokinin NK2 receptor from rat duodenum membranes


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50281773
PNG
(CHEMBL176853 | Naphthalene-1-carboxylic acid [2-(3...)
Show SMILES CN(CC(CCN1CCC(O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C33H34Cl2N2O2/c1-36(32(38)29-13-7-9-24-8-5-6-12-28(24)29)23-26(25-14-15-30(34)31(35)22-25)16-19-37-20-17-33(39,18-21-37)27-10-3-2-4-11-27/h2-15,22,26,39H,16-21,23H2,1H3
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NKA binding to neurokinin NK2 receptor from rat duodenum membranes


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50323868
PNG
((S)-1-((4R,7S,13R)-13-((S)-2-amino-3-(4-hydroxyphe...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C61H72F6N10O9S2/c1-33(2)23-44(53(82)73-46(28-37-31-69-43-16-11-10-15-41(37)43)52(81)70-30-36-24-38(60(62,63)64)29-39(25-36)61(65,66)67)74-55(84)47-17-12-22-77(47)57(86)50-59(5,6)88-87-58(3,4)49(75-51(80)42(68)26-35-18-20-40(78)21-19-35)56(85)71-32-48(79)72-45(54(83)76-50)27-34-13-8-7-9-14-34/h7-11,13-16,18-21,24-25,29,31,33,42,44-47,49-50,69,78H,12,17,22-23,26-28,30,32,68H2,1-6H3,(H,70,81)(H,71,85)(H,72,79)(H,73,82)(H,74,84)(H,75,80)(H,76,83)/t42-,44-,45-,46-,47-,49+,50+/m0/s1
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
4.5n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]substance P frome rat NK2 receptor


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50264406
PNG
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-15-(4-hyd...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C59H70F6N10O9S/c1-33(2)23-46(54(81)73-48(28-38-31-67-44-14-9-8-13-42(38)44)53(80)68-30-37-24-39(58(60,61)62)29-40(25-37)59(63,64)65)74-56(83)49-15-10-21-75(49)57(84)45(20-22-85-4)72-55(82)47(27-35-11-6-5-7-12-35)71-50(77)32-69-51(78)34(3)70-52(79)43(66)26-36-16-18-41(76)19-17-36/h5-9,11-14,16-19,24-25,29,31,33-34,43,45-49,67,76H,10,15,20-23,26-28,30,32,66H2,1-4H3,(H,68,80)(H,69,78)(H,70,79)(H,71,77)(H,72,82)(H,73,81)(H,74,83)/t34-,43+,45+,46+,47+,48+,49+/m1/s1
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
7.30n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]substance P frome rat NK2 receptor


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50323869
PNG
((S)-1-((4S,7S,13R)-13-((S)-2-amino-3-(4-hydroxyphe...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C61H72F6N10O9S2/c1-33(2)23-44(53(82)73-46(28-37-31-69-43-16-11-10-15-41(37)43)52(81)70-30-36-24-38(60(62,63)64)29-39(25-36)61(65,66)67)74-55(84)47-17-12-22-77(47)57(86)50-59(5,6)88-87-58(3,4)49(75-51(80)42(68)26-35-18-20-40(78)21-19-35)56(85)71-32-48(79)72-45(54(83)76-50)27-34-13-8-7-9-14-34/h7-11,13-16,18-21,24-25,29,31,33,42,44-47,49-50,69,78H,12,17,22-23,26-28,30,32,68H2,1-6H3,(H,70,81)(H,71,85)(H,72,79)(H,73,82)(H,74,84)(H,75,80)(H,76,83)/t42-,44-,45-,46-,47-,49+,50-/m0/s1
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
10n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]substance P frome rat NK2 receptor


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50281770
PNG
(CHEMBL367542 | N-[4-[4-(Acetylamino-methyl)-4-phen...)
Show SMILES CN(CC(CCN1CCC(CNC(C)=O)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C32H37Cl2N3O2/c1-24(38)35-23-32(28-11-7-4-8-12-28)16-19-37(20-17-32)18-15-27(26-13-14-29(33)30(34)21-26)22-36(2)31(39)25-9-5-3-6-10-25/h3-14,21,27H,15-20,22-23H2,1-2H3,(H,35,38)
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NKA binding to neurokinin NK2 receptor from rat duodenum membranes


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50323866
PNG
((S)-1-((3R,8R,14S,17S,22aS)-8-((S)-2-amino-3-(4-hy...)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C72H90F6N12O11S2/c1-8-9-20-51-67(100)89-28-15-23-56(89)65(98)88-59(70(6,7)103-102-69(4,5)58(87-60(93)49(79)33-42-24-26-47(91)27-25-42)66(99)82-39-57(92)83-53(63(96)84-51)34-41-17-11-10-12-18-41)68(101)90-29-16-22-55(90)64(97)86-52(30-40(2)3)62(95)85-54(35-44-38-80-50-21-14-13-19-48(44)50)61(94)81-37-43-31-45(71(73,74)75)36-46(32-43)72(76,77)78/h10-14,17-19,21,24-27,31-32,36,38,40,49,51-56,58-59,80,91H,8-9,15-16,20,22-23,28-30,33-35,37,39,79H2,1-7H3,(H,81,94)(H,82,99)(H,83,92)(H,84,96)(H,85,95)(H,86,97)(H,87,93)(H,88,98)/t49-,51-,52-,53-,54-,55-,56-,58+,59+/m0/s1
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
26n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]substance P frome rat NK2 receptor


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM86055
PNG
(SSR240600)
Show SMILES CC(C)(C1CCN(CCC2(CN(CCO2)C(=O)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccc(Cl)c(Cl)c2)CC1)C(N)=O
Show InChI InChI=1S/C31H35Cl2F6N3O3/c1-28(2,27(40)44)20-5-8-41(9-6-20)10-7-29(21-3-4-24(32)25(33)17-21)18-42(11-12-45-29)26(43)15-19-13-22(30(34,35)36)16-23(14-19)31(37,38)39/h3-4,13-14,16-17,20H,5-12,15,18H2,1-2H3,(H2,40,44)
Reactome pathway

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
34n/an/an/an/an/an/an/an/a



Sanofi-Synthélabo Recherche

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50281772
PNG
(CHEMBL368372 | N-[2-(3,4-Dichloro-phenyl)-4-(4-hyd...)
Show SMILES CN(CC(CCN1CCC(CO)(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C30H34Cl2N2O2/c1-33(29(36)23-8-4-2-5-9-23)21-25(24-12-13-27(31)28(32)20-24)14-17-34-18-15-30(22-35,16-19-34)26-10-6-3-7-11-26/h2-13,20,25,35H,14-19,21-22H2,1H3
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NKA binding to neurokinin NK2 receptor from rat duodenum membranes


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50051290
PNG
(CHEMBL299377 | N-(1-{3-[1-Benzoyl-3-(3,4-dichloro-...)
Show SMILES CN(C(C)=O)C1(CCN(CCCC2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
100n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




Life Sci 56: -32 (1995)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50281774
PNG
(CHEMBL366382 | N-[4-(4-Acetylamino-4-phenyl-piperi...)
Show SMILES CC(=O)NC1(CCN(CCC(CNC(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C30H33Cl2N3O2/c1-22(36)34-30(26-10-6-3-7-11-26)15-18-35(19-16-30)17-14-25(24-12-13-27(31)28(32)20-24)21-33-29(37)23-8-4-2-5-9-23/h2-13,20,25H,14-19,21H2,1H3,(H,33,37)(H,34,36)
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
>100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NKA binding to neurokinin NK2 receptor from rat duodenum membranes


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50129520
PNG
(CHEMBL69335 | N-[2-(3,4-Dichloro-phenyl)-4-(4-phen...)
Show SMILES CN(CC(CCN1CCC(CC1)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32Cl2N2O/c1-32(29(34)24-10-6-3-7-11-24)21-26(25-12-13-27(30)28(31)20-25)16-19-33-17-14-23(15-18-33)22-8-4-2-5-9-22/h2-13,20,23,26H,14-19,21H2,1H3
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
>100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-NKA binding to neurokinin NK2 receptor from rat duodenum membranes


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM21016
PNG
(CHEMBL22870 | L 732138 | L-732,138 | L732138 | N-a...)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H18F6N2O3/c1-12(31)30-19(8-14-10-29-18-5-3-2-4-17(14)18)20(32)33-11-13-6-15(21(23,24)25)9-16(7-13)22(26,27)28/h2-7,9-10,19,29H,8,11H2,1H3,(H,30,31)/t19-/m0/s1
Reactome pathway

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
134n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]substance P frome rat NK2 receptor


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM21016
PNG
(CHEMBL22870 | L 732138 | L-732,138 | L732138 | N-a...)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H18F6N2O3/c1-12(31)30-19(8-14-10-29-18-5-3-2-4-17(14)18)20(32)33-11-13-6-15(21(23,24)25)9-16(7-13)22(26,27)28/h2-7,9-10,19,29H,8,11H2,1H3,(H,30,31)/t19-/m0/s1
Reactome pathway

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
134n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]substance P frome rat NK2 receptor


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50323867
PNG
((S)-1-((3S,8R,14S,17S,22aS)-8-((S)-2-amino-3-(4-hy...)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C72H90F6N12O11S2/c1-8-9-20-51-67(100)89-28-15-23-56(89)65(98)88-59(70(6,7)103-102-69(4,5)58(87-60(93)49(79)33-42-24-26-47(91)27-25-42)66(99)82-39-57(92)83-53(63(96)84-51)34-41-17-11-10-12-18-41)68(101)90-29-16-22-55(90)64(97)86-52(30-40(2)3)62(95)85-54(35-44-38-80-50-21-14-13-19-48(44)50)61(94)81-37-43-31-45(71(73,74)75)36-46(32-43)72(76,77)78/h10-14,17-19,21,24-27,31-32,36,38,40,49,51-56,58-59,80,91H,8-9,15-16,20,22-23,28-30,33-35,37,39,79H2,1-7H3,(H,81,94)(H,82,99)(H,83,92)(H,84,96)(H,85,95)(H,86,97)(H,87,93)(H,88,98)/t49-,51-,52-,53-,54-,55-,56-,58+,59-/m0/s1
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
160n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]substance P frome rat NK2 receptor


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50051290
PNG
(CHEMBL299377 | N-(1-{3-[1-Benzoyl-3-(3,4-dichloro-...)
Show SMILES CN(C(C)=O)C1(CCN(CCCC2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
248n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




Life Sci 56: -32 (1995)

More data for this
Ligand-Target Pair
TACR2


(mouse)
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

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
945n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of [125I]-NKA binding to Tachykinin receptor 2 from rat duodenum membranes


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
Reactome pathway

GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM82071
PNG
(CAS_93413-69-5 | CAS_99300-78-4 | NSC_62923 | VENL...)
Show SMILES COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1
Show InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
Reactome pathway

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50022784
PNG
((R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine...)
Show SMILES CNCCC(Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
Reactome pathway

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM85845
PNG
(N-[(S)-1-Phenylpropyl]-2-phenyl-3-(carboxymethoxy)...)
Show SMILES CC[C@H](NC(=O)c1c(OCC(O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H24N2O4/c1-2-21(18-11-5-3-6-12-18)29-27(32)24-20-15-9-10-16-22(20)28-25(19-13-7-4-8-14-19)26(24)33-17-23(30)31/h3-16,21H,2,17H2,1H3,(H,29,32)(H,30,31)/t21-/m0/s1
Reactome pathway

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
2.33E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by PDSP Ki Database




J Pharmacol Exp Ther 300: 314-23 (2002)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM85845
PNG
(N-[(S)-1-Phenylpropyl]-2-phenyl-3-(carboxymethoxy)...)
Show SMILES CC[C@H](NC(=O)c1c(OCC(O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H24N2O4/c1-2-21(18-11-5-3-6-12-18)29-27(32)24-20-15-9-10-16-22(20)28-25(19-13-7-4-8-14-19)26(24)33-17-23(30)31/h3-16,21H,2,17H2,1H3,(H,29,32)(H,30,31)/t21-/m0/s1
Reactome pathway

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
5.25E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by PDSP Ki Database




J Pharmacol Exp Ther 300: 314-23 (2002)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50094703
PNG
(5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-y...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)
Reactome pathway

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
8.56E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1156-64 (2000)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
Reactome pathway

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Glaxo Group Research Ltd.

Curated by PDSP Ki Database




Br J Pharmacol 111: 332-8 (1994)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
Reactome pathway

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Pudue Pharma Discovery Research

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50030146
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Tle-Gly-Leu-Met | CHEM...)
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](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(C)(C)C)C(N)=O
Show InChI InChI=1S/C60H100N18O13S/c1-34(2)31-41(52(85)71-37(49(65)82)25-30-92-6)70-47(81)33-69-56(89)48(60(3,4)5)76-53(86)42(32-35-15-8-7-9-16-35)75-51(84)38(21-23-45(63)79)72-50(83)39(22-24-46(64)80)73-54(87)44-20-14-29-78(44)58(91)40(18-10-11-26-61)74-55(88)43-19-13-28-77(43)57(90)36(62)17-12-27-68-59(66)67/h7-9,15-16,34,36-44,48H,10-14,17-33,61-62H2,1-6H3,(H2,63,79)(H2,64,80)(H2,65,82)(H,69,89)(H,70,81)(H,71,85)(H,72,83)(H,73,87)(H,74,88)(H,75,84)(H,76,86)(H4,66,67,68)/t36-,37-,38-,39-,40-,41-,42-,43-,44+,48+/m0/s1
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 9n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes


J Med Chem 37: 1586-601 (1994)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50323868
PNG
((S)-1-((4R,7S,13R)-13-((S)-2-amino-3-(4-hydroxyphe...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C61H72F6N10O9S2/c1-33(2)23-44(53(82)73-46(28-37-31-69-43-16-11-10-15-41(37)43)52(81)70-30-36-24-38(60(62,63)64)29-39(25-36)61(65,66)67)74-55(84)47-17-12-22-77(47)57(86)50-59(5,6)88-87-58(3,4)49(75-51(80)42(68)26-35-18-20-40(78)21-19-35)56(85)71-32-48(79)72-45(54(83)76-50)27-34-13-8-7-9-14-34/h7-11,13-16,18-21,24-25,29,31,33,42,44-47,49-50,69,78H,12,17,22-23,26-28,30,32,68H2,1-6H3,(H,70,81)(H,71,85)(H,72,79)(H,73,82)(H,74,84)(H,75,80)(H,76,83)/t42-,44-,45-,46-,47-,49+,50+/m0/s1
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]substance P frome rat NK2 receptor


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50264406
PNG
((S)-1-((2S,5S,11R,14S)-14-amino-5-benzyl-15-(4-hyd...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C59H70F6N10O9S/c1-33(2)23-46(54(81)73-48(28-38-31-67-44-14-9-8-13-42(38)44)53(80)68-30-37-24-39(58(60,61)62)29-40(25-37)59(63,64)65)74-56(83)49-15-10-21-75(49)57(84)45(20-22-85-4)72-55(82)47(27-35-11-6-5-7-12-35)71-50(77)32-69-51(78)34(3)70-52(79)43(66)26-36-16-18-41(76)19-17-36/h5-9,11-14,16-19,24-25,29,31,33-34,43,45-49,67,76H,10,15,20-23,26-28,30,32,66H2,1-4H3,(H,68,80)(H,69,78)(H,70,79)(H,71,77)(H,72,82)(H,73,81)(H,74,83)/t34-,43+,45+,46+,47+,48+,49+/m1/s1
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]substance P frome rat NK2 receptor


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50407164
PNG
(CHEMBL2115376)
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](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)[C@H]1CCc2ccccc12)C(N)=O
Show InChI InChI=1S/C65H100N18O13S/c1-37(2)34-47(58(90)76-43(55(70)87)28-33-97-3)75-53(86)36-74-62(94)54(41-23-22-39-16-7-8-17-40(39)41)81-59(91)48(35-38-14-5-4-6-15-38)80-57(89)44(24-26-51(68)84)77-56(88)45(25-27-52(69)85)78-60(92)50-21-13-32-83(50)64(96)46(19-9-10-29-66)79-61(93)49-20-12-31-82(49)63(95)42(67)18-11-30-73-65(71)72/h4-8,14-17,37,41-50,54H,9-13,18-36,66-67H2,1-3H3,(H2,68,84)(H2,69,85)(H2,70,87)(H,74,94)(H,75,86)(H,76,90)(H,77,88)(H,78,92)(H,79,93)(H,80,89)(H,81,91)(H4,71,72,73)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50+,54-/m0/s1
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 29n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes


J Med Chem 37: 1586-601 (1994)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50030158
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Flg-Gly-Leu-Met | CHEM...)
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](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C1c2ccccc2-c2ccccc12)C(N)=O
Show InChI InChI=1S/C69H100N18O13S/c1-39(2)36-50(62(94)80-46(59(74)91)30-35-101-3)79-56(90)38-78-66(98)58(57-43-20-9-7-18-41(43)42-19-8-10-21-44(42)57)85-63(95)51(37-40-16-5-4-6-17-40)84-61(93)47(26-28-54(72)88)81-60(92)48(27-29-55(73)89)82-64(96)53-25-15-34-87(53)68(100)49(23-11-12-31-70)83-65(97)52-24-14-33-86(52)67(99)45(71)22-13-32-77-69(75)76/h4-10,16-21,39,45-53,57-58H,11-15,22-38,70-71H2,1-3H3,(H2,72,88)(H2,73,89)(H2,74,91)(H,78,98)(H,79,90)(H,80,94)(H,81,92)(H,82,96)(H,83,97)(H,84,93)(H,85,95)(H4,75,76,77)/t45-,46-,47-,48-,49-,50-,51-,52-,53+,58-/m0/s1
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 41n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes


J Med Chem 37: 1586-601 (1994)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50323869
PNG
((S)-1-((4S,7S,13R)-13-((S)-2-amino-3-(4-hydroxyphe...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C61H72F6N10O9S2/c1-33(2)23-44(53(82)73-46(28-37-31-69-43-16-11-10-15-41(37)43)52(81)70-30-36-24-38(60(62,63)64)29-39(25-36)61(65,66)67)74-55(84)47-17-12-22-77(47)57(86)50-59(5,6)88-87-58(3,4)49(75-51(80)42(68)26-35-18-20-40(78)21-19-35)56(85)71-32-48(79)72-45(54(83)76-50)27-34-13-8-7-9-14-34/h7-11,13-16,18-21,24-25,29,31,33,42,44-47,49-50,69,78H,12,17,22-23,26-28,30,32,68H2,1-6H3,(H,70,81)(H,71,85)(H,72,79)(H,73,82)(H,74,84)(H,75,80)(H,76,83)/t42-,44-,45-,46-,47-,49+,50-/m0/s1
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 42n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]substance P frome rat NK2 receptor


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50407161
PNG
(CHEMBL2114443)
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](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)[C@@H]1CCc2ccccc12)C(N)=O
Show InChI InChI=1S/C65H100N18O13S/c1-37(2)34-47(58(90)76-43(55(70)87)28-33-97-3)75-53(86)36-74-62(94)54(41-23-22-39-16-7-8-17-40(39)41)81-59(91)48(35-38-14-5-4-6-15-38)80-57(89)44(24-26-51(68)84)77-56(88)45(25-27-52(69)85)78-60(92)50-21-13-32-83(50)64(96)46(19-9-10-29-66)79-61(93)49-20-12-31-82(49)63(95)42(67)18-11-30-73-65(71)72/h4-8,14-17,37,41-50,54H,9-13,18-36,66-67H2,1-3H3,(H2,68,84)(H2,69,85)(H2,70,87)(H,74,94)(H,75,86)(H,76,90)(H,77,88)(H,78,92)(H,79,93)(H,80,89)(H,81,91)(H4,71,72,73)/t41-,42+,43+,44+,45+,46+,47+,48+,49+,50-,54+/m1/s1
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 57n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes


J Med Chem 37: 1586-601 (1994)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50045037
PNG
(CHEMBL295073 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-dia...)
Show SMILES CN(Cc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CC1NC(=O)C2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C40H44N6O5/c1-45(24-26-12-6-3-7-13-26)39(50)33(20-25-10-4-2-5-11-25)43-37(48)32(21-28-23-41-31-15-9-8-14-30(28)31)42-35(47)22-34-40(51)46-29-18-16-27(17-19-29)36(46)38(49)44-34/h2-15,23,27,29,32-34,36,41H,16-22,24H2,1H3,(H,42,47)(H,43,48)(H,44,49)
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 65n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against rat NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand


J Med Chem 36: 1654-61 (1993)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50030166
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Pen(S-Me)-Gly-Leu-Met ...)
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](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(C)(C)SC)C(N)=O
Show InChI InChI=1S/C60H100N18O13S2/c1-34(2)31-41(52(85)71-37(49(65)82)25-30-92-5)70-47(81)33-69-56(89)48(60(3,4)93-6)76-53(86)42(32-35-15-8-7-9-16-35)75-51(84)38(21-23-45(63)79)72-50(83)39(22-24-46(64)80)73-54(87)44-20-14-29-78(44)58(91)40(18-10-11-26-61)74-55(88)43-19-13-28-77(43)57(90)36(62)17-12-27-68-59(66)67/h7-9,15-16,34,36-44,48H,10-14,17-33,61-62H2,1-6H3,(H2,63,79)(H2,64,80)(H2,65,82)(H,69,89)(H,70,81)(H,71,85)(H,72,83)(H,73,87)(H,74,88)(H,75,84)(H,76,86)(H4,66,67,68)/t36-,37-,38-,39-,40-,41-,42-,43-,44+,48+/m0/s1
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 68n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes


J Med Chem 37: 1586-601 (1994)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50323866
PNG
((S)-1-((3R,8R,14S,17S,22aS)-8-((S)-2-amino-3-(4-hy...)
Show SMILES CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C72H90F6N12O11S2/c1-8-9-20-51-67(100)89-28-15-23-56(89)65(98)88-59(70(6,7)103-102-69(4,5)58(87-60(93)49(79)33-42-24-26-47(91)27-25-42)66(99)82-39-57(92)83-53(63(96)84-51)34-41-17-11-10-12-18-41)68(101)90-29-16-22-55(90)64(97)86-52(30-40(2)3)62(95)85-54(35-44-38-80-50-21-14-13-19-48(44)50)61(94)81-37-43-31-45(71(73,74)75)36-46(32-43)72(76,77)78/h10-14,17-19,21,24-27,31-32,36,38,40,49,51-56,58-59,80,91H,8-9,15-16,20,22-23,28-30,33-35,37,39,79H2,1-7H3,(H,81,94)(H,82,99)(H,83,92)(H,84,96)(H,85,95)(H,86,97)(H,87,93)(H,88,98)/t49-,51-,52-,53-,54-,55-,56-,58+,59+/m0/s1
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 105n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]substance P frome rat NK2 receptor


Citation and Details
More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50030163
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-(2S,3S)Ing-Flg-Leu-Met...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C1CCc2ccccc12)C1c2ccccc2-c2ccccc12)C(N)=O
Show InChI InChI=1S/C71H102N18O13S/c1-39(2)37-52(64(96)82-48(61(76)93)31-36-103-3)81-57(92)38-80-67(99)60(58-44-19-8-6-17-42(44)43-18-7-9-20-45(43)58)87-68(100)59(46-26-25-40-15-4-5-16-41(40)46)86-63(95)50(28-30-56(75)91)83-62(94)49(27-29-55(74)90)84-65(97)54-24-14-35-89(54)70(102)51(22-10-11-32-72)85-66(98)53-23-13-34-88(53)69(101)47(73)21-12-33-79-71(77)78/h4-9,15-20,39,46-54,58-60H,10-14,21-38,72-73H2,1-3H3,(H2,74,90)(H2,75,91)(H2,76,93)(H,80,99)(H,81,92)(H,82,96)(H,83,94)(H,84,97)(H,85,98)(H,86,95)(H,87,100)(H4,77,78,79)/t46?,47-,48+,49-,50-,51-,52-,53-,54-,59-,60-/m0/s1
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 110n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes


J Med Chem 37: 1586-601 (1994)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50030154
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-(2S,3S)Bfi-Phe-Gly-Leu-Met...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C1CCc2cc3ccccc3cc12)C(N)=O
Show InChI InChI=1S/C69H102N18O13S/c1-39(2)34-51(63(95)80-47(59(74)91)28-33-101-3)79-57(90)38-78-60(92)52(35-40-14-5-4-6-15-40)84-66(98)58(44-23-22-43-36-41-16-7-8-17-42(41)37-45(43)44)85-62(94)49(25-27-56(73)89)81-61(93)48(24-26-55(72)88)82-64(96)54-21-13-32-87(54)68(100)50(19-9-10-29-70)83-65(97)53-20-12-31-86(53)67(99)46(71)18-11-30-77-69(75)76/h4-8,14-17,36-37,39,44,46-54,58H,9-13,18-35,38,70-71H2,1-3H3,(H2,72,88)(H2,73,89)(H2,74,91)(H,78,92)(H,79,90)(H,80,95)(H,81,93)(H,82,96)(H,83,97)(H,84,98)(H,85,94)(H4,75,76,77)/t44?,46-,47+,48-,49-,50-,51-,52-,53-,54-,58-/m0/s1
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 120n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes


J Med Chem 37: 1586-601 (1994)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50045040
PNG
(CHEMBL296267 | N-Benzyl-2-[2-[2-(3,6-dioxo-2,5-dia...)
Show SMILES CN(Cc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)C(Cc1cn(C=O)c2ccccc12)NC(=O)CC1NC(=O)C2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C41H44N6O6/c1-45(23-27-12-6-3-7-13-27)40(52)33(20-26-10-4-2-5-11-26)43-38(50)32(21-29-24-46(25-48)35-15-9-8-14-31(29)35)42-36(49)22-34-41(53)47-30-18-16-28(17-19-30)37(47)39(51)44-34/h2-15,24-25,28,30,32-34,37H,16-23H2,1H3,(H,42,49)(H,43,50)(H,44,51)
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 142n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against rat NK-2 receptor transfected on CHO cells using [125I]-His] NKA as radioligand


J Med Chem 36: 1654-61 (1993)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50030153
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Pen(SO2-Me)-Gly-Leu-Me...)
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](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(C)(C)S(C)(=O)=O)C(N)=O
Show InChI InChI=1S/C60H100N18O15S2/c1-34(2)31-41(52(85)71-37(49(65)82)25-30-94-5)70-47(81)33-69-56(89)48(60(3,4)95(6,92)93)76-53(86)42(32-35-15-8-7-9-16-35)75-51(84)38(21-23-45(63)79)72-50(83)39(22-24-46(64)80)73-54(87)44-20-14-29-78(44)58(91)40(18-10-11-26-61)74-55(88)43-19-13-28-77(43)57(90)36(62)17-12-27-68-59(66)67/h7-9,15-16,34,36-44,48H,10-14,17-33,61-62H2,1-6H3,(H2,63,79)(H2,64,80)(H2,65,82)(H,69,89)(H,70,81)(H,71,85)(H,72,83)(H,73,87)(H,74,88)(H,75,84)(H,76,86)(H4,66,67,68)/t36-,37-,38-,39-,40-,41-,42-,43-,44+,48+/m0/s1
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 160n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes


J Med Chem 37: 1586-601 (1994)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50045036
PNG
(7-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)
Show SMILES CN(Cc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)C(Cc1cn(C(=O)CCCCCC[NH3+])c2ccccc12)NC(=O)CC1NC(=O)C2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C47H57N7O6/c1-52(29-32-16-8-5-9-17-32)46(59)38(26-31-14-6-4-7-15-31)50-44(57)37(27-34-30-53(40-19-12-11-18-36(34)40)42(56)20-10-2-3-13-25-48)49-41(55)28-39-47(60)54-35-23-21-33(22-24-35)43(54)45(58)51-39/h4-9,11-12,14-19,30,33,35,37-39,43H,2-3,10,13,20-29,48H2,1H3,(H,49,55)(H,50,57)(H,51,58)/p+1
Reactome pathway

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 188n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against rat NK-2 receptor


J Med Chem 36: 1654-61 (1993)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50001450
PNG
((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 200n/an/an/an/an/an/a



Universit£ P. et M. Curie

Curated by ChEMBL


Assay Description
Concentration required to inhibit the specific binding of [125I]NKA to Neurokinin-2 (NK-2) receptor in rat duodenum membranes


J Med Chem 37: 1586-601 (1994)

More data for this
Ligand-Target Pair
TACR2


(mouse)
BDBM50045039
PNG
(6-(3-{2-[1-(Benzyl-methyl-carbamoyl)-2-phenyl-ethy...)
Show SMILES CN(Cc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)C(Cc1cn(C(=O)OCCCCCC[NH3+])c2ccccc12)NC(=O)CC1NC(=O)C2C3CCC(CC3)N2C1=O
Show InChI InChI=1S/C47H57N7O7/c1-52(29-32-16-8-5-9-17-32)45(58)38(26-31-14-6-4-7-15-31)50-43(56)37(49-41(55)28-39-46(59)54-35-22-20-33(21-23-35)42(54)44(57)51-39)27-34-30-53(40-19-11-10-18-36(34)40)47(60)61-25-13-3-2-12-24-48/h4-11,14-19,30,33,35,37-39,42H,2-3,12-13,20-29,48H2,1H3,(H,49,55)(H,50,56)(H,51,57)/p+1
Reactome pathway

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 244n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against rat NK-2 receptor


J Med Chem 36: 1654-61 (1993)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 161 total )  |  Next  |  Last  >>
Jump to: