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Compile Data Set for Download or QSAR

Found 109 hits Enz. Inhib. hit(s) with Target = 'TACR2' AND taxid = 10036   
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


(HAMSTER)
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
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1.20n/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 neurokinin NK2 receptor from hamster urinary bladder membranes


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


(HAMSTER)
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)
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1.80n/an/an/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by PDSP Ki Database




J Pharmacol Exp Ther 277: 840-51 (1996)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM82262
PNG
(ZM253,270)
Show SMILES CC(C)N1Cc2c(nc(nc2Nc2ccc(Cl)cc2)N2CCN(CC2)C(=O)C(C)N=O)C1=O
Show InChI InChI=1S/C22H26ClN7O3/c1-13(2)30-12-17-18(21(30)32)25-22(26-19(17)24-16-6-4-15(23)5-7-16)29-10-8-28(9-11-29)20(31)14(3)27-33/h4-7,13-14H,8-12H2,1-3H3,(H,24,25,26)
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2n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1216-21 (1995)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM82262
PNG
(ZM253,270)
Show SMILES CC(C)N1Cc2c(nc(nc2Nc2ccc(Cl)cc2)N2CCN(CC2)C(=O)C(C)N=O)C1=O
Show InChI InChI=1S/C22H26ClN7O3/c1-13(2)30-12-17-18(21(30)32)25-22(26-19(17)24-16-6-4-15(23)5-7-16)29-10-8-28(9-11-29)20(31)14(3)27-33/h4-7,13-14H,8-12H2,1-3H3,(H,24,25,26)
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2.20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1216-21 (1995)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50175522
PNG
(1-{2-[3-((S)-3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@](CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H39Cl2N3O5/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(40)39-18-12-33(22-39,25-9-10-26(35)27(36)21-25)11-15-38-16-13-34(14-17-38,32(37)41)24-7-5-4-6-8-24/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)/t33-/m1/s1
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6.98n/an/an/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by PDSP Ki Database




J Pharmacol Exp Ther 277: 840-51 (1996)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50071112
PNG
(CHEMBL56835 | N-[4-(4-Acetylamino-4-phenyl-piperid...)
Show SMILES CN(CC(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)
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7.32n/an/an/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by PDSP Ki Database




J Pharmacol Exp Ther 277: 840-51 (1996)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50285956
PNG
(4-(4-Chloro-phenylamino)-6-isopropyl-2-morpholin-4...)
Show SMILES CC(C)N1Cc2c(nc(nc2Nc2ccc(Cl)cc2)N2CCOCC2)C1=O
Show InChI InChI=1S/C19H22ClN5O2/c1-12(2)25-11-15-16(18(25)26)22-19(24-7-9-27-10-8-24)23-17(15)21-14-5-3-13(20)4-6-14/h3-6,12H,7-11H2,1-2H3,(H,21,22,23)
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-NKA from Tachykinin receptor 2 found in hamster urinary bladder membrane (HUBM)


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


(HAMSTER)
BDBM82261
PNG
(COMPOUND I)
Show SMILES CC(C)N1Cc2c(nc(nc2Nc2ccc(Cl)cc2)N2CCN(CC2)C(=O)Cc2[nH]c(=O)[nH]c2O)C1=O
Show InChI InChI=1S/C24H25ClN8O4/c1-13(2)33-12-16-19(22(33)36)28-23(29-20(16)26-15-5-3-14(25)4-6-15)32-9-7-31(8-10-32)18(34)11-17-21(35)30-24(37)27-17/h3-6,13H,7-12H2,1-2H3,(H,26,28,29)(H,30,35,37)
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17n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1216-21 (1995)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM82261
PNG
(COMPOUND I)
Show SMILES CC(C)N1Cc2c(nc(nc2Nc2ccc(Cl)cc2)N2CCN(CC2)C(=O)Cc2[nH]c(=O)[nH]c2O)C1=O
Show InChI InChI=1S/C24H25ClN8O4/c1-13(2)33-12-16-19(22(33)36)28-23(29-20(16)26-15-5-3-14(25)4-6-15)32-9-7-31(8-10-32)18(34)11-17-21(35)30-24(37)27-17/h3-6,13H,7-12H2,1-2H3,(H,26,28,29)(H,30,35,37)
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18n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1216-21 (1995)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM82263
PNG
(COMPOUND II)
Show SMILES Clc1ccc(Nc2nc(nc3C(=O)N(CCN4CCOCC4)Cc23)N2CCOCC2)cc1
Show InChI InChI=1S/C22H27ClN6O3/c23-16-1-3-17(4-2-16)24-20-18-15-29(6-5-27-7-11-31-12-8-27)21(30)19(18)25-22(26-20)28-9-13-32-14-10-28/h1-4H,5-15H2,(H,24,25,26)
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39n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1216-21 (1995)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM82263
PNG
(COMPOUND II)
Show SMILES Clc1ccc(Nc2nc(nc3C(=O)N(CCN4CCOCC4)Cc23)N2CCOCC2)cc1
Show InChI InChI=1S/C22H27ClN6O3/c23-16-1-3-17(4-2-16)24-20-18-15-29(6-5-27-7-11-31-12-8-27)21(30)19(18)25-22(26-20)28-9-13-32-14-10-28/h1-4H,5-15H2,(H,24,25,26)
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41n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 274: 1216-21 (1995)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50285943
PNG
((4-Chloro-phenyl)-(2-morpholin-4-yl-8-propyl-9H-pu...)
Show SMILES CCCc1nc2nc(nc(Nc3ccc(Cl)cc3)c2[nH]1)N1CCOCC1
Show InChI InChI=1S/C18H21ClN6O/c1-2-3-14-21-15-16(20-13-6-4-12(19)5-7-13)23-18(24-17(15)22-14)25-8-10-26-11-9-25/h4-7H,2-3,8-11H2,1H3,(H2,20,21,22,23,24)
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54n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-NKA from Tachykinin receptor 2 found in hamster urinary bladder membrane (HUBM)


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


(HAMSTER)
BDBM50285955
PNG
((4-Chloro-phenyl)-(8-isopropyl-2-morpholin-4-yl-9H...)
Show SMILES CC(C)c1nc2nc(nc(Nc3ccc(Cl)cc3)c2[nH]1)N1CCOCC1
Show InChI InChI=1S/C18H21ClN6O/c1-11(2)15-21-14-16(20-13-5-3-12(19)4-6-13)23-18(24-17(14)22-15)25-7-9-26-10-8-25/h3-6,11H,7-10H2,1-2H3,(H2,20,21,22,23,24)
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67n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-NKA from Tachykinin receptor 2 found in hamster urinary bladder membrane (HUBM)


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


(HAMSTER)
BDBM50285944
PNG
((4-Chloro-phenyl)-(8-ethyl-2-morpholin-4-yl-9H-pur...)
Show SMILES CCc1nc2nc(nc(Nc3ccc(Cl)cc3)c2[nH]1)N1CCOCC1
Show InChI InChI=1S/C17H19ClN6O/c1-2-13-20-14-15(19-12-5-3-11(18)4-6-12)22-17(23-16(14)21-13)24-7-9-25-10-8-24/h3-6H,2,7-10H2,1H3,(H2,19,20,21,22,23)
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520n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-NKA from Tachykinin receptor 2 found in hamster urinary bladder membrane (HUBM)


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


(HAMSTER)
BDBM50175494
PNG
(1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimeth...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H39Cl2N3O5/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(40)39-18-12-33(22-39,25-9-10-26(35)27(36)21-25)11-15-38-16-13-34(14-17-38,32(37)41)24-7-5-4-6-8-24/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)/t33-/m0/s1
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711n/an/an/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by PDSP Ki Database




J Pharmacol Exp Ther 277: 840-51 (1996)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50285950
PNG
(4-(4-Chloro-phenylamino)-2-morpholin-4-yl-quinazol...)
Show SMILES COC(=O)c1ccc2c(Nc3ccc(Cl)cc3)nc(nc2c1)N1CCOCC1
Show InChI InChI=1S/C20H19ClN4O3/c1-27-19(26)13-2-7-16-17(12-13)23-20(25-8-10-28-11-9-25)24-18(16)22-15-5-3-14(21)4-6-15/h2-7,12H,8-11H2,1H3,(H,22,23,24)
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820n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-NKA from Tachykinin receptor 2 found in hamster urinary bladder membrane (HUBM)


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


(HAMSTER)
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
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2.00E+3n/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


(HAMSTER)
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
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2.00E+3n/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


(HAMSTER)
BDBM84954
PNG
(CAS_6437864 | FK 224 | NSC_6437864)
Show SMILES CCCCCc1ccccc1CCC(=O)NC1C(C)OC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(CC(C)C)NC(=O)C(=Cc2ccc(O)cc2)N(C)C1=O)C(C)O
Show InChI InChI=1S/C54H72N8O13/c1-7-8-10-17-36-18-13-14-19-37(36)22-25-45(67)60-47-33(5)75-54(74)42(30-63)59-49(69)41(29-44(55)66)58-52(72)46(32(4)64)61-50(70)40(27-34-15-11-9-12-16-34)56-48(68)39(26-31(2)3)57-51(71)43(62(6)53(47)73)28-35-20-23-38(65)24-21-35/h9,11-16,18-21,23-24,28,31-33,39-42,46-47,63-65H,7-8,10,17,22,25-27,29-30H2,1-6H3,(H2,55,66)(H,56,68)(H,57,71)(H,58,72)(H,59,69)(H,60,67)(H,61,70)
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3.59E+3n/an/an/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by PDSP Ki Database




J Pharmacol Exp Ther 277: 840-51 (1996)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50285954
PNG
((4-Chloro-phenyl)-(8-methyl-2-morpholin-4-yl-9H-pu...)
Show SMILES Cc1nc2nc(nc(Nc3ccc(Cl)cc3)c2[nH]1)N1CCOCC1
Show InChI InChI=1S/C16H17ClN6O/c1-10-18-13-14(19-10)21-16(23-6-8-24-9-7-23)22-15(13)20-12-4-2-11(17)3-5-12/h2-5H,6-9H2,1H3,(H2,18,19,20,21,22)
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6.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-NKA from Tachykinin receptor 2 found in hamster urinary bladder membrane (HUBM)


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


(HAMSTER)
BDBM50285947
PNG
(4-(4-Chloro-phenylamino)-2-morpholin-4-yl-quinazol...)
Show SMILES OC(=O)c1ccc2c(Nc3ccc(Cl)cc3)nc(nc2c1)N1CCOCC1
Show InChI InChI=1S/C19H17ClN4O3/c20-13-2-4-14(5-3-13)21-17-15-6-1-12(18(25)26)11-16(15)22-19(23-17)24-7-9-27-10-8-24/h1-6,11H,7-10H2,(H,25,26)(H,21,22,23)
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2.03E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-NKA from Tachykinin receptor 2 found in hamster urinary bladder membrane (HUBM)


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


(HAMSTER)
BDBM50285953
PNG
((4-Chloro-phenyl)-(2-morpholin-4-yl-quinazolin-4-y...)
Show SMILES Clc1ccc(Nc2nc(nc3ccccc23)N2CCOCC2)cc1
Show InChI InChI=1S/C18H17ClN4O/c19-13-5-7-14(8-6-13)20-17-15-3-1-2-4-16(15)21-18(22-17)23-9-11-24-12-10-23/h1-8H,9-12H2,(H,20,21,22)
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2.95E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-NKA from Tachykinin receptor 2 found in hamster urinary bladder membrane (HUBM)


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


(HAMSTER)
BDBM50285960
PNG
(4-(4-Chloro-phenylamino)-2-morpholin-4-yl-quinazol...)
Show SMILES CC(C)NC(=O)c1ccc2c(Nc3ccc(Cl)cc3)nc(nc2c1)N1CCOCC1
Show InChI InChI=1S/C22H24ClN5O2/c1-14(2)24-21(29)15-3-8-18-19(13-15)26-22(28-9-11-30-12-10-28)27-20(18)25-17-6-4-16(23)5-7-17/h3-8,13-14H,9-12H2,1-2H3,(H,24,29)(H,25,26,27)
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5.87E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-NKA from Tachykinin receptor 2 found in hamster urinary bladder membrane (HUBM)


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


(HAMSTER)
BDBM50366377
PNG
(CHEMBL334721 | MEN-10627)
Show SMILES CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CNC(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2
Show InChI InChI=1S/C38H48N8O7S/c1-21(2)15-27-34(49)41-26(13-14-54-3)33(48)45-30-18-32(47)40-20-31(38(53)42-27)46-35(50)28(16-22-9-5-4-6-10-22)43-36(51)29(44-37(30)52)17-23-19-39-25-12-8-7-11-24(23)25/h4-12,19,21,26-31,39H,13-18,20H2,1-3H3,(H,40,47)(H,41,49)(H,42,53)(H,43,51)(H,44,52)(H,45,48)(H,46,50)/t26-,27-,28-,29-,30-,31-/m0/s1
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n/an/a 0.0790n/an/an/an/an/an/a


TBA

Assay Description
Tested for binding affinity of compound against [125I]NKA binding to neurokinin-2 (NK-2) receptor in hamster urinary bladder


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


(HAMSTER)
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
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n/an/a 1n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50001435
PNG
(3-Amino-N-[1-(1-{1-[2-(1-{[(1-carbamoyl-2-phenyl-e...)
Show SMILES CCCN(C[C@H](CC(C)C)NC(=O)CCNC(=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@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H64N8O9/c1-6-19-50(34(38(44)55)22-29-15-11-8-12-16-29)24-30(20-26(2)3)46-35(52)17-18-45-42(59)37(27(4)5)49-40(57)32(21-28-13-9-7-10-14-28)47-41(58)33(25-51)48-39(56)31(43)23-36(53)54/h7-16,26-27,30-34,37,51H,6,17-25,43H2,1-5H3,(H2,44,55)(H,45,59)(H,46,52)(H,47,58)(H,48,56)(H,49,57)(H,53,54)/t30-,31-,32-,33-,34-,37-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50079412
PNG
((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
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](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 2 in membranes prepared from hamster urinary bladder labeled with [125 I] NKA


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


(HAMSTER)
BDBM50001451
PNG
(3-Amino-N-(1-{1-[1-({[1-(1-carbamoyl-3-methylsulfa...)
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](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C34H54N8O10S/c1-18(2)13-23(31(49)39-22(29(36)47)11-12-53-5)38-26(44)16-37-34(52)28(19(3)4)42-32(50)24(14-20-9-7-6-8-10-20)40-33(51)25(17-43)41-30(48)21(35)15-27(45)46/h6-10,18-19,21-25,28,43H,11-17,35H2,1-5H3,(H2,36,47)(H,37,52)(H,38,44)(H,39,49)(H,40,51)(H,41,48)(H,42,50)(H,45,46)/t21-,22-,23-,24-,25-,28-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50001437
PNG
(3-Amino-N-[1-(1-{1-[({1-[(1-carbamoyl-2-phenyl-eth...)
Show SMILES CC(C)C[C@@H](CN[C@@H](Cc1ccccc1)C(N)=O)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
Show InChI InChI=1S/C38H56N8O9/c1-22(2)15-26(19-41-28(34(40)51)16-24-11-7-5-8-12-24)43-31(48)20-42-38(55)33(23(3)4)46-36(53)29(17-25-13-9-6-10-14-25)44-37(54)30(21-47)45-35(52)27(39)18-32(49)50/h5-14,22-23,26-30,33,41,47H,15-21,39H2,1-4H3,(H2,40,51)(H,42,55)(H,43,48)(H,44,54)(H,45,52)(H,46,53)(H,49,50)/t26-,27-,28-,29-,30-,33-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50001455
PNG
(3-Amino-N-(1-{1-[1-(2-{1-[(1-carbamoyl-2-phenyl-et...)
Show SMILES CC(C)C[C@@H](CN[C@@H](Cc1ccccc1)C(N)=O)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C
Show InChI InChI=1S/C39H58N8O9/c1-23(2)17-27(21-43-29(35(41)52)18-25-11-7-5-8-12-25)44-32(49)15-16-42-39(56)34(24(3)4)47-37(54)30(19-26-13-9-6-10-14-26)45-38(55)31(22-48)46-36(53)28(40)20-33(50)51/h5-14,23-24,27-31,34,43,48H,15-22,40H2,1-4H3,(H2,41,52)(H,42,56)(H,44,49)(H,45,55)(H,46,53)(H,47,54)(H,50,51)/t27-,28-,29-,30-,31-,34-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50079412
PNG
((NKB)Asp-Met-His-Asp-Phe-Phe-Val-Gly-Leu-Met-NH2 |...)
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](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73)/t35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50001440
PNG
(3-Amino-N-[1-(1-{1-[({1-[(1-carbamoyl-3-methylsulf...)
Show SMILES CSCC[C@H](NC[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/C34H56N8O9S/c1-19(2)13-22(16-37-24(30(36)47)11-12-52-5)39-27(44)17-38-34(51)29(20(3)4)42-32(49)25(14-21-9-7-6-8-10-21)40-33(50)26(18-43)41-31(48)23(35)15-28(45)46/h6-10,19-20,22-26,29,37,43H,11-18,35H2,1-5H3,(H2,36,47)(H,38,51)(H,39,44)(H,40,50)(H,41,48)(H,42,49)(H,45,46)/t22-,23-,24-,25-,26-,29-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50001454
PNG
(3-Amino-N-{1-[1-(1-{[(1-{[(1-carbamoyl-3-methyl-bu...)
Show SMILES CCCN(C[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@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C38H64N8O9/c1-8-14-46(30(34(40)51)16-23(4)5)20-26(15-22(2)3)42-31(48)19-41-38(55)33(24(6)7)45-36(53)28(17-25-12-10-9-11-13-25)43-37(54)29(21-47)44-35(52)27(39)18-32(49)50/h9-13,22-24,26-30,33,47H,8,14-21,39H2,1-7H3,(H2,40,51)(H,41,55)(H,42,48)(H,43,54)(H,44,52)(H,45,53)(H,49,50)/t26-,27-,28-,29-,30-,33-/m0/s1
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n/an/a 103n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50001442
PNG
(3-Amino-N-(1-{1-[1-(2-{1-[(1-carbamoyl-3-methyl-bu...)
Show SMILES CC(C)C[C@@H](CN[C@@H](CC(C)C)C(N)=O)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C
Show InChI InChI=1S/C36H60N8O9/c1-20(2)14-24(18-40-26(32(38)49)15-21(3)4)41-29(46)12-13-39-36(53)31(22(5)6)44-34(51)27(16-23-10-8-7-9-11-23)42-35(52)28(19-45)43-33(50)25(37)17-30(47)48/h7-11,20-22,24-28,31,40,45H,12-19,37H2,1-6H3,(H2,38,49)(H,39,53)(H,41,46)(H,42,52)(H,43,50)(H,44,51)(H,47,48)/t24-,25-,26-,27-,28-,31-/m0/s1
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n/an/a 108n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50001443
PNG
(3-Amino-N-[1-(1-{1-[({1-[(1-carbamoyl-3-methyl-but...)
Show SMILES CC(C)C[C@@H](CN[C@@H](CC(C)C)C(N)=O)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
Show InChI InChI=1S/C35H58N8O9/c1-19(2)12-23(16-38-25(31(37)48)13-20(3)4)40-28(45)17-39-35(52)30(21(5)6)43-33(50)26(14-22-10-8-7-9-11-22)41-34(51)27(18-44)42-32(49)24(36)15-29(46)47/h7-11,19-21,23-27,30,38,44H,12-18,36H2,1-6H3,(H2,37,48)(H,39,52)(H,40,45)(H,41,51)(H,42,49)(H,43,50)(H,46,47)/t23-,24-,25-,26-,27-,30-/m0/s1
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n/an/a 115n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50001449
PNG
(3-Amino-N-(1-{1-[1-({[1-(1-carbamoyl-3-methyl-buty...)
Show SMILES CC(C)C[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/c1-18(2)12-23(30(37)48)40-32(50)24(13-19(3)4)39-27(45)16-38-35(53)29(20(5)6)43-33(51)25(14-21-10-8-7-9-11-21)41-34(52)26(17-44)42-31(49)22(36)15-28(46)47/h7-11,18-20,22-26,29,44H,12-17,36H2,1-6H3,(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
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n/an/a 136n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
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
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n/an/a 148n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50001444
PNG
(3-Amino-N-{1-[1-(1-{[(1-{[(1-carbamoyl-3-methyl-bu...)
Show SMILES CC(C)C[C@@H](CN([C@@H](CC(C)C)C(N)=O)C(=O)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
Show InChI InChI=1S/C40H66N8O10/c1-22(2)14-27(20-48(33(51)16-24(5)6)31(36(42)54)15-23(3)4)44-32(50)19-43-40(58)35(25(7)8)47-38(56)29(17-26-12-10-9-11-13-26)45-39(57)30(21-49)46-37(55)28(41)18-34(52)53/h9-13,22-25,27-31,35,49H,14-21,41H2,1-8H3,(H2,42,54)(H,43,58)(H,44,50)(H,45,57)(H,46,55)(H,47,56)(H,52,53)/t27-,28-,29-,30-,31-,35-/m0/s1
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n/an/a 162n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50001438
PNG
(3-Amino-N-{1-[1-(1-{[(1-{[(1-carbamoyl-3-methyl-bu...)
Show SMILES CC(C)C[C@@H](CN(C)[C@@H](CC(C)C)C(N)=O)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
Show InChI InChI=1S/C36H60N8O9/c1-20(2)13-24(18-44(7)28(32(38)49)14-21(3)4)40-29(46)17-39-36(53)31(22(5)6)43-34(51)26(15-23-11-9-8-10-12-23)41-35(52)27(19-45)42-33(50)25(37)16-30(47)48/h8-12,20-22,24-28,31,45H,13-19,37H2,1-7H3,(H2,38,49)(H,39,53)(H,40,46)(H,41,52)(H,42,50)(H,43,51)(H,47,48)/t24-,25-,26-,27-,28-,31-/m0/s1
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n/an/a 193n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50001453
PNG
(3-Amino-N-{1-[1-(1-{[(1-{[(1-carbamoyl-3-methyl-bu...)
Show SMILES CCN(C[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@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C37H62N8O9/c1-8-45(29(33(39)50)15-22(4)5)19-25(14-21(2)3)41-30(47)18-40-37(54)32(23(6)7)44-35(52)27(16-24-12-10-9-11-13-24)42-36(53)28(20-46)43-34(51)26(38)17-31(48)49/h9-13,21-23,25-29,32,46H,8,14-20,38H2,1-7H3,(H2,39,50)(H,40,54)(H,41,47)(H,42,53)(H,43,51)(H,44,52)(H,48,49)/t25-,26-,27-,28-,29-,32-/m0/s1
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n/an/a 277n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50283253
PNG
((S)-2-[2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-4...)
Show SMILES CCCCC[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(C)=O)C(N)=O
Show InChI InChI=1S/C45H66N10O10/c1-5-6-9-18-31(40(48)60)52-44(64)34(23-27(2)3)51-39(59)26-49-41(61)35(24-29-14-10-7-11-15-29)54-45(65)36(25-30-16-12-8-13-17-30)55-43(63)33(20-22-38(47)58)53-42(62)32(50-28(4)56)19-21-37(46)57/h7-8,10-17,27,31-36H,5-6,9,18-26H2,1-4H3,(H2,46,57)(H2,47,58)(H2,48,60)(H,49,61)(H,50,56)(H,51,59)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/t31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 637n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration producing half-maximal inhibition of specific binding of. [125I]-Neurokinin A to NK-2 receptors in the hamster urinary bladder


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


(HAMSTER)
BDBM50050641
PNG
(CHEMBL45340 | PD-161182 | [(R)-2-(2,3-Difluoro-phe...)
Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1
Show InChI InChI=1S/C29H40F2N4O4/c1-20(2)25(21-13-8-7-9-14-21)39-28(38)35-29(3,19-22-15-12-16-23(30)24(22)31)26(36)33-17-10-5-4-6-11-18-34-27(32)37/h7-9,12-16,20,25H,4-6,10-11,17-19H2,1-3H3,(H,33,36)(H,35,38)(H3,32,34,37)/t25-,29+/m0/s1
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n/an/a 790n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for binding affinity towards Tachykinin receptor 2 binding sites in membranes prepared from hamster urinary bladder using [125I]n...


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


(HAMSTER)
BDBM50050641
PNG
(CHEMBL45340 | PD-161182 | [(R)-2-(2,3-Difluoro-phe...)
Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1
Show InChI InChI=1S/C29H40F2N4O4/c1-20(2)25(21-13-8-7-9-14-21)39-28(38)35-29(3,19-22-15-12-16-23(30)24(22)31)26(36)33-17-10-5-4-6-11-18-34-27(32)37/h7-9,12-16,20,25H,4-6,10-11,17-19H2,1-3H3,(H,33,36)(H,35,38)(H3,32,34,37)/t25-,29+/m0/s1
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n/an/a 790n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 2 in membranes prepared from hamster urinary bladder labeled with [125 I] NKA


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


(HAMSTER)
BDBM50283250
PNG
((S)-2-[2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-4...)
Show SMILES C\C=C\CC[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(C)=O)C(N)=O
Show InChI InChI=1S/C45H64N10O10/c1-5-6-9-18-31(40(48)60)52-44(64)34(23-27(2)3)51-39(59)26-49-41(61)35(24-29-14-10-7-11-15-29)54-45(65)36(25-30-16-12-8-13-17-30)55-43(63)33(20-22-38(47)58)53-42(62)32(50-28(4)56)19-21-37(46)57/h5-8,10-17,27,31-36H,9,18-26H2,1-4H3,(H2,46,57)(H2,47,58)(H2,48,60)(H,49,61)(H,50,56)(H,51,59)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/b6-5+/t31-,32-,33-,34-,35-,36-/m0/s1
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n/an/a 1.37E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration producing half-maximal inhibition of specific binding of. [125I]-Neurokinin A to NK-2 receptors in the hamster urinary bladder


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


(HAMSTER)
BDBM50050652
PNG
(CHEMBL47146 | PD-160946 | [(R)-2-(2-Fluoro-phenyl)...)
Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1
Show InChI InChI=1S/C29H41FN4O4/c1-21(2)25(22-14-8-7-9-15-22)38-28(37)34-29(3,20-23-16-10-11-17-24(23)30)26(35)32-18-12-5-4-6-13-19-33-27(31)36/h7-11,14-17,21,25H,4-6,12-13,18-20H2,1-3H3,(H,32,35)(H,34,37)(H3,31,33,36)/t25-,29+/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for binding affinity towards Tachykinin receptor 2 binding sites in membranes prepared from hamster urinary bladder using [125I]n...


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


(HAMSTER)
BDBM50050652
PNG
(CHEMBL47146 | PD-160946 | [(R)-2-(2-Fluoro-phenyl)...)
Show SMILES CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1
Show InChI InChI=1S/C29H41FN4O4/c1-21(2)25(22-14-8-7-9-15-22)38-28(37)34-29(3,20-23-16-10-11-17-24(23)30)26(35)32-18-12-5-4-6-13-19-33-27(31)36/h7-11,14-17,21,25H,4-6,12-13,18-20H2,1-3H3,(H,32,35)(H,34,37)(H3,31,33,36)/t25-,29+/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Inhibitory activity against Tachykinin receptor 2 in membranes prepared from hamster urinary bladder labeled with [125 I] NKA


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


(HAMSTER)
BDBM50283257
PNG
((S)-2-[2-((S)-2-{(S)-2-[(S)-2-((S)-2-Acetylamino-4...)
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(C)=O)C(N)=O
Show InChI InChI=1S/C43H62N10O10S/c1-25(2)21-32(42(62)50-29(38(46)58)19-20-64-4)49-37(57)24-47-39(59)33(22-27-11-7-5-8-12-27)52-43(63)34(23-28-13-9-6-10-14-28)53-41(61)31(16-18-36(45)56)51-40(60)30(48-26(3)54)15-17-35(44)55/h5-14,25,29-34H,15-24H2,1-4H3,(H2,44,55)(H2,45,56)(H2,46,58)(H,47,59)(H,48,54)(H,49,57)(H,50,62)(H,51,60)(H,52,63)(H,53,61)/t29-,30-,31-,32-,33-,34-/m0/s1
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n/an/a 1.62E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration producing half-maximal inhibition of specific binding of. [125I]-Neurokinin A to NK-2 receptors in the hamster urinary bladder


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


(HAMSTER)
BDBM50001441
PNG
(4-(1-{1-[1-({[1-(1-Carbamoyl-3-methyl-butylcarbamo...)
Show SMILES CC(C)C[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)NCCCC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C35H57N7O9/c1-20(2)15-24(31(36)47)40-32(48)25(16-21(3)4)39-28(44)18-38-35(51)30(22(5)6)42-33(49)26(17-23-11-8-7-9-12-23)41-34(50)27(19-43)37-14-10-13-29(45)46/h7-9,11-12,20-22,24-27,30,37,43H,10,13-19H2,1-6H3,(H2,36,47)(H,38,51)(H,39,44)(H,40,48)(H,41,50)(H,42,49)(H,45,46)/t24-,25-,26-,27-,30-/m0/s1
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n/an/a 1.65E+3n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)

More data for this
Ligand-Target Pair
TACR2


(HAMSTER)
BDBM50283255
PNG
((S)-2-[(5-Oxo-pyrrolidine-2-carbonyl)-amino]-penta...)
Show SMILES C\C=C\CC[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]1CCC(=O)N1)C(N)=O
Show InChI InChI=1S/C43H59N9O9/c1-4-5-8-17-29(38(45)56)49-42(60)32(22-26(2)3)48-37(55)25-46-39(57)33(23-27-13-9-6-10-14-27)51-43(61)34(24-28-15-11-7-12-16-28)52-41(59)31(18-20-35(44)53)50-40(58)30-19-21-36(54)47-30/h4-7,9-16,26,29-34H,8,17-25H2,1-3H3,(H2,44,53)(H2,45,56)(H,46,57)(H,47,54)(H,48,55)(H,49,60)(H,50,58)(H,51,61)(H,52,59)/b5-4+/t29-,30-,31-,32-,33-,34-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration producing half-maximal inhibition of specific binding of. [125I]-Neurokinin A to NK-2 receptors in the hamster urinary bladder


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


(HAMSTER)
BDBM50289801
PNG
(CHEMBL292766 | [(S)-2-(1H-Indol-3-yl)-1-phenethylc...)
Show SMILES O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C27H27N3O3/c31-26(28-16-15-20-9-3-1-4-10-20)25(17-22-18-29-24-14-8-7-13-23(22)24)30-27(32)33-19-21-11-5-2-6-12-21/h1-14,18,25,29H,15-17,19H2,(H,28,31)(H,30,32)/t25-/m0/s1
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n/an/a 3.27E+3n/an/an/an/an/an/a


TBA

Assay Description
Concentration required for binding affinity to neurokinin (NK2) receptor in hamster urinary bladder


Citation and Details
More data for this
Ligand-Target Pair
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