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Compile Data Set for Download or QSAR

Found 94 hits of kd data for polymerid = 2103,2104   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Substance-P receptor


(Homo sapiens (Human))
BDBM50413891
PNG
(VESTIPITANT)
Show SMILES C[C@@H](N(C)C(=O)N1CCNC[C@@H]1c1ccc(F)cc1C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H24F7N3O/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3/t14-,20-/m1/s1
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n/an/an/a 0.0302n/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant NK1 receptor expressed in CHO cells assessed as dissociation constant


J Med Chem 52: 3238-47 (2009)


Article DOI: 10.1021/jm900023b
BindingDB Entry DOI: 10.7270/Q2BP0425
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50409615
PNG
(CHEMBL151177)
Show SMILES OC1CCN(CC1)C1CN(CCC2(CCC(=O)N(Cc3ccccc3)C2)c2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C28H35Cl2N3O2/c29-25-7-6-22(16-26(25)30)28(11-8-27(35)33(20-28)17-21-4-2-1-3-5-21)12-15-31-18-23(19-31)32-13-9-24(34)10-14-32/h1-7,16,23-24,34H,8-15,17-20H2
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n/an/an/a 0.0794n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay


J Med Chem 45: 5365-77 (2002)


Article DOI: 10.1021/jm0209331
BindingDB Entry DOI: 10.7270/Q2JD4Z0T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50410792
PNG
(CHEMBL381155)
Show SMILES C\C(CN1CCN([C@H](Cc2c[nH]c3ccccc23)C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)=N\OCCN1CCS(=O)(=O)CC1
Show InChI InChI=1S/C31H35F6N5O4S/c1-21(39-46-11-8-40-9-12-47(44,45)13-10-40)19-41-6-7-42(26(20-41)16-23-18-38-28-5-3-2-4-27(23)28)29(43)22-14-24(30(32,33)34)17-25(15-22)31(35,36)37/h2-5,14-15,17-18,26,38H,6-13,16,19-20H2,1H3/b39-21-/t26-/m1/s1
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n/an/an/a 0.100n/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Effect on IP3 turnover by phospholipaseC positively linked to human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1045-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.077
BindingDB Entry DOI: 10.7270/Q2XD12W0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50409621
PNG
(CHEMBL151585)
Show SMILES Clc1ccc(cc1Cl)C1(CCN2CC(C2)N2CCOCC2)CCC(=O)N(C1)C1CCCCC1
Show InChI InChI=1S/C26H37Cl2N3O2/c27-23-7-6-20(16-24(23)28)26(9-8-25(32)31(19-26)21-4-2-1-3-5-21)10-11-29-17-22(18-29)30-12-14-33-15-13-30/h6-7,16,21-22H,1-5,8-15,17-19H2
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n/an/an/a 0.126n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay


J Med Chem 45: 5365-77 (2002)


Article DOI: 10.1021/jm0209331
BindingDB Entry DOI: 10.7270/Q2JD4Z0T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50410786
PNG
(CHEMBL379898)
Show SMILES C\C(CN1CCN([C@H](Cc2c[nH]c3ccccc23)C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)=N\OCCN1CCOCC1
Show InChI InChI=1S/C31H35F6N5O3/c1-21(39-45-13-10-40-8-11-44-12-9-40)19-41-6-7-42(26(20-41)16-23-18-38-28-5-3-2-4-27(23)28)29(43)22-14-24(30(32,33)34)17-25(15-22)31(35,36)37/h2-5,14-15,17-18,26,38H,6-13,16,19-20H2,1H3/b39-21-/t26-/m1/s1
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n/an/an/a 0.158n/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Effect on IP3 turnover by phospholipaseC positively linked to human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1045-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.077
BindingDB Entry DOI: 10.7270/Q2XD12W0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50410802
PNG
(CHEMBL380449)
Show SMILES C\C(CN1CCN([C@H](Cc2c[nH]c3ccccc23)C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)=N\OCCCN1CCOCC1
Show InChI InChI=1S/C32H37F6N5O3/c1-22(40-46-12-4-7-41-10-13-45-14-11-41)20-42-8-9-43(27(21-42)17-24-19-39-29-6-3-2-5-28(24)29)30(44)23-15-25(31(33,34)35)18-26(16-23)32(36,37)38/h2-3,5-6,15-16,18-19,27,39H,4,7-14,17,20-21H2,1H3/b40-22-/t27-/m1/s1
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n/an/an/a 0.158n/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Effect on IP3 turnover by phospholipaseC positively linked to human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1045-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.077
BindingDB Entry DOI: 10.7270/Q2XD12W0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50410801
PNG
(CHEMBL204297)
Show SMILES C\C(CN1CCN([C@H](Cc2c[nH]c3ccccc23)C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)=N\OCCN
Show InChI InChI=1S/C27H29F6N5O2/c1-17(36-40-9-6-34)15-37-7-8-38(22(16-37)12-19-14-35-24-5-3-2-4-23(19)24)25(39)18-10-20(26(28,29)30)13-21(11-18)27(31,32)33/h2-5,10-11,13-14,22,35H,6-9,12,15-16,34H2,1H3/b36-17-/t22-/m1/s1
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n/an/an/a 0.158n/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Effect on IP3 turnover by phospholipaseC positively linked to human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1045-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.077
BindingDB Entry DOI: 10.7270/Q2XD12W0
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002462
PNG
(1,3-Diethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-indo...)
Show SMILES CCn1c(\C=C\C=C2/N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc12
Show InChI InChI=1S/C27H30N5/c1-6-31-24(32(7-2)26-25(31)28-20-14-9-10-15-21(20)29-26)18-12-17-23-27(3,4)19-13-8-11-16-22(19)30(23)5/h8-18H,6-7H2,1-5H3/q+1
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n/an/an/a 0.180n/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Scatchard analysis at concentration of the 3 uM :Apparent affinity constant (Kd) against tachykinin receptor 1


J Med Chem 34: 1751-3 (1991)


Article DOI: 10.1021/jm00109a034
BindingDB Entry DOI: 10.7270/Q2JQ11MP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50000040
PNG
(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m0/s1
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n/an/an/a 0.316n/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of substance P induced contraction of rabbit vena ceva (RVC) tissue expressing Tachykinin receptor 1


J Med Chem 39: 736-48 (1996)


Article DOI: 10.1021/jm950616c
BindingDB Entry DOI: 10.7270/Q20864C7
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50410800
PNG
(CHEMBL204691)
Show SMILES CNCCO\N=C(\C)CN1CCN([C@H](Cc2c[nH]c3ccccc23)C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H31F6N5O2/c1-18(37-41-10-7-35-2)16-38-8-9-39(23(17-38)13-20-15-36-25-6-4-3-5-24(20)25)26(40)19-11-21(27(29,30)31)14-22(12-19)28(32,33)34/h3-6,11-12,14-15,23,35-36H,7-10,13,16-17H2,1-2H3/b37-18-/t23-/m1/s1
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n/an/an/a 0.316n/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Effect on IP3 turnover by phospholipaseC positively linked to human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1045-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.077
BindingDB Entry DOI: 10.7270/Q2XD12W0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
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
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n/an/an/a 0.316n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay


J Med Chem 45: 5365-77 (2002)


Article DOI: 10.1021/jm0209331
BindingDB Entry DOI: 10.7270/Q2JD4Z0T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50049319
PNG
(CHEMBL42407 | Lanepitant | N-[(R)-1-{[Acetyl-(2-me...)
Show SMILES COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCC(CC1)N1CCCCC1)C(C)=O
Show InChI InChI=1S/C33H45N5O3/c1-25(39)38(22-26-10-4-7-13-32(26)41-2)23-28(20-27-21-34-31-12-6-5-11-30(27)31)35-33(40)24-36-18-14-29(15-19-36)37-16-8-3-9-17-37/h4-7,10-13,21,28-29,34H,3,8-9,14-20,22-24H2,1-2H3,(H,35,40)/t28-/m1/s1
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n/an/an/a 0.398n/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of substance P induced contraction of rabbit vena ceva (RVC) tissue expressing Tachykinin receptor 1


J Med Chem 39: 736-48 (1996)


Article DOI: 10.1021/jm950616c
BindingDB Entry DOI: 10.7270/Q20864C7
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50409614
PNG
(CHEMBL149794)
Show SMILES OC(=O)C1CCN(CC1)C1CN(CCC2(CCC(=O)N(CC3CC3)C2)c2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C26H35Cl2N3O3/c27-22-4-3-20(13-23(22)28)26(8-5-24(32)31(17-26)14-18-1-2-18)9-12-29-15-21(16-29)30-10-6-19(7-11-30)25(33)34/h3-4,13,18-19,21H,1-2,5-12,14-17H2,(H,33,34)
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n/an/an/a 0.398n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay


J Med Chem 45: 5365-77 (2002)


Article DOI: 10.1021/jm0209331
BindingDB Entry DOI: 10.7270/Q2JD4Z0T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50409651
PNG
(CHEMBL150709)
Show SMILES OC1(CCN(CCC2(CCC(=O)N(Cc3ccccc3)C2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
Show InChI InChI=1S/C31H34Cl2N2O2/c32-27-12-11-26(21-28(27)33)30(14-13-29(36)35(23-30)22-24-7-3-1-4-8-24)15-18-34-19-16-31(37,17-20-34)25-9-5-2-6-10-25/h1-12,21,37H,13-20,22-23H2
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n/an/an/a 0.501n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay


J Med Chem 45: 5365-77 (2002)


Article DOI: 10.1021/jm0209331
BindingDB Entry DOI: 10.7270/Q2JD4Z0T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50409629
PNG
(CHEMBL348653)
Show SMILES Clc1ccc(cc1Cl)C1(CCN2CC(C2)N2CCOCC2)CCC(=O)N(Cc2ccccc2)C1
Show InChI InChI=1S/C27H33Cl2N3O2/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/h1-7,16,23H,8-15,17-20H2
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n/an/an/a 0.501n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay


J Med Chem 45: 5365-77 (2002)


Article DOI: 10.1021/jm0209331
BindingDB Entry DOI: 10.7270/Q2JD4Z0T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50409649
PNG
(CHEMBL149690)
Show SMILES Cc1ccccc1CN1CC(CCN2CC(C2)N2CCOCC2)(CCC1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H35Cl2N3O2/c1-21-4-2-3-5-22(21)17-33-20-28(9-8-27(33)34,23-6-7-25(29)26(30)16-23)10-11-31-18-24(19-31)32-12-14-35-15-13-32/h2-7,16,24H,8-15,17-20H2,1H3
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n/an/an/a 0.501n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay


J Med Chem 45: 5365-77 (2002)


Article DOI: 10.1021/jm0209331
BindingDB Entry DOI: 10.7270/Q2JD4Z0T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50410789
PNG
(CHEMBL202627)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCN(CC2=NOC(CN3CCOCC3)C2)C[C@H]1Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C31H33F6N5O3/c32-30(33,34)22-11-20(12-23(14-22)31(35,36)37)29(43)42-6-5-41(17-24-15-26(45-39-24)19-40-7-9-44-10-8-40)18-25(42)13-21-16-38-28-4-2-1-3-27(21)28/h1-4,11-12,14,16,25-26,38H,5-10,13,15,17-19H2/t25-,26?/m1/s1
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n/an/an/a 0.631n/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Effect on IP3 turnover by phospholipaseC positively linked to human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1045-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.077
BindingDB Entry DOI: 10.7270/Q2XD12W0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50409653
PNG
(CHEMBL423584)
Show SMILES CS(=O)(=O)N1CCN(CC1)C1CN(CCC2(CCC(=O)N(Cc3ccccc3)C2)c2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C28H36Cl2N4O3S/c1-38(36,37)34-15-13-32(14-16-34)24-19-31(20-24)12-11-28(23-7-8-25(29)26(30)17-23)10-9-27(35)33(21-28)18-22-5-3-2-4-6-22/h2-8,17,24H,9-16,18-21H2,1H3
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay


J Med Chem 45: 5365-77 (2002)


Article DOI: 10.1021/jm0209331
BindingDB Entry DOI: 10.7270/Q2JD4Z0T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50409640
PNG
(CHEMBL151231)
Show SMILES OC1CC2CCC(C1)N2C1CN(CCC2(CCC(=O)N(Cc3ccccc3)C2)c2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C30H37Cl2N3O2/c31-27-9-6-22(14-28(27)32)30(11-10-29(37)34(20-30)17-21-4-2-1-3-5-21)12-13-33-18-25(19-33)35-23-7-8-24(35)16-26(36)15-23/h1-6,9,14,23-26,36H,7-8,10-13,15-20H2
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay


J Med Chem 45: 5365-77 (2002)


Article DOI: 10.1021/jm0209331
BindingDB Entry DOI: 10.7270/Q2JD4Z0T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50410783
PNG
(CHEMBL381822)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCN(C\C=N/OCCN2CCOCC2)C[C@H]1Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C30H33F6N5O3/c31-29(32,33)23-15-21(16-24(18-23)30(34,35)36)28(42)41-8-7-40(6-5-38-44-14-11-39-9-12-43-13-10-39)20-25(41)17-22-19-37-27-4-2-1-3-26(22)27/h1-5,15-16,18-19,25,37H,6-14,17,20H2/b38-5-/t25-/m1/s1
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n/an/an/a 0.631n/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Effect on IP3 turnover by phospholipaseC positively linked to human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1045-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.077
BindingDB Entry DOI: 10.7270/Q2XD12W0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50410796
PNG
(CHEMBL204262)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCN(C\C=N/OCCCN2CCOCC2)C[C@H]1Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C31H35F6N5O3/c32-30(33,34)24-16-22(17-25(19-24)31(35,36)37)29(43)42-10-9-41(8-6-39-45-13-3-7-40-11-14-44-15-12-40)21-26(42)18-23-20-38-28-5-2-1-4-27(23)28/h1-2,4-6,16-17,19-20,26,38H,3,7-15,18,21H2/b39-6-/t26-/m1/s1
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n/an/an/a 0.631n/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Effect on IP3 turnover by phospholipaseC positively linked to human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1045-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.077
BindingDB Entry DOI: 10.7270/Q2XD12W0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50409620
PNG
(CHEMBL150619)
Show SMILES Clc1ccc(cc1Cl)C1(CCN2CC(C2)N2CCS(=O)CC2)CCC(=O)N(Cc2ccccc2)C1
Show InChI InChI=1S/C27H33Cl2N3O2S/c28-24-7-6-22(16-25(24)29)27(9-8-26(33)32(20-27)17-21-4-2-1-3-5-21)10-11-30-18-23(19-30)31-12-14-35(34)15-13-31/h1-7,16,23H,8-15,17-20H2
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n/an/an/a 0.631n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay


J Med Chem 45: 5365-77 (2002)


Article DOI: 10.1021/jm0209331
BindingDB Entry DOI: 10.7270/Q2JD4Z0T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50410793
PNG
(CHEMBL382871)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCN(Cc2cc(CN3CCOCC3)on2)C[C@H]1Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C31H31F6N5O3/c32-30(33,34)22-11-20(12-23(14-22)31(35,36)37)29(43)42-6-5-41(17-24-15-26(45-39-24)19-40-7-9-44-10-8-40)18-25(42)13-21-16-38-28-4-2-1-3-27(21)28/h1-4,11-12,14-16,25,38H,5-10,13,17-19H2/t25-/m1/s1
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n/an/an/a 0.794n/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Effect on IP3 turnover by phospholipaseC positively linked to human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1045-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.077
BindingDB Entry DOI: 10.7270/Q2XD12W0
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002462
PNG
(1,3-Diethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-indo...)
Show SMILES CCn1c(\C=C\C=C2/N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc12
Show InChI InChI=1S/C27H30N5/c1-6-31-24(32(7-2)26-25(31)28-20-14-9-10-15-21(20)29-26)18-12-17-23-27(3,4)19-13-8-11-16-22(19)30(23)5/h8-18H,6-7H2,1-5H3/q+1
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n/an/an/a 0.970n/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Scatchard analysis at concentration of the 1 uM :Apparent affinity constant (Kd) against tachykinin receptor 1


J Med Chem 34: 1751-3 (1991)


Article DOI: 10.1021/jm00109a034
BindingDB Entry DOI: 10.7270/Q2JQ11MP
More data for this
Ligand-Target Pair
Substance-P 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
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay


J Med Chem 45: 5365-77 (2002)


Article DOI: 10.1021/jm0209331
BindingDB Entry DOI: 10.7270/Q2JD4Z0T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50410797
PNG
(CHEMBL378156)
Show SMILES C\C(CCN1CCN([C@H](Cc2c[nH]c3ccccc23)C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)=N\OCCCN1CCOCC1
Show InChI InChI=1S/C33H39F6N5O3/c1-23(41-47-14-4-8-42-12-15-46-16-13-42)7-9-43-10-11-44(28(22-43)19-25-21-40-30-6-3-2-5-29(25)30)31(45)24-17-26(32(34,35)36)20-27(18-24)33(37,38)39/h2-3,5-6,17-18,20-21,28,40H,4,7-16,19,22H2,1H3/b41-23-/t28-/m1/s1
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Solvay Pharma

Curated by ChEMBL


Assay Description
Effect on IP3 turnover by phospholipaseC positively linked to human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1045-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.077
BindingDB Entry DOI: 10.7270/Q2XD12W0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50409624
PNG
(CHEMBL151317)
Show SMILES Clc1ccc(cc1Cl)C1(CCN2CC(C2)N2CCSCC2)CCC(=O)N(Cc2ccccc2)C1
Show InChI InChI=1S/C27H33Cl2N3OS/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/h1-7,16,23H,8-15,17-20H2
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay


J Med Chem 45: 5365-77 (2002)


Article DOI: 10.1021/jm0209331
BindingDB Entry DOI: 10.7270/Q2JD4Z0T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50049318
PNG
(CHEMBL351274 | N-[(R)-1-{[Acetyl-(2-methoxy-benzyl...)
Show SMILES COc1ccccc1CN(C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(CC1)c1ccccc1)C(C)=O
Show InChI InChI=1S/C33H39N5O3/c1-25(39)38(22-26-10-6-9-15-32(26)41-2)23-28(20-27-21-34-31-14-8-7-13-30(27)31)35-33(40)24-36-16-18-37(19-17-36)29-11-4-3-5-12-29/h3-15,21,28,34H,16-20,22-24H2,1-2H3,(H,35,40)/t28-/m1/s1
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n/an/an/a 1n/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of substance P induced contraction of rabbit vena ceva (RVC) tissue expressing Tachykinin receptor 1


J Med Chem 39: 736-48 (1996)


Article DOI: 10.1021/jm950616c
BindingDB Entry DOI: 10.7270/Q20864C7
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50409632
PNG
(CHEMBL148998)
Show SMILES NS(=O)(=O)N1CCN(CC1)C1CN(CCC2(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)
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n/an/an/a 1.26n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay


J Med Chem 45: 5365-77 (2002)


Article DOI: 10.1021/jm0209331
BindingDB Entry DOI: 10.7270/Q2JD4Z0T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50410804
PNG
(CHEMBL204764)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCN(CC\C(=N/OCCN2CCOCC2)c2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C37H39F6N5O3/c38-36(39,40)29-20-27(21-30(23-29)37(41,42)43)35(49)48-13-12-47(25-31(48)22-28-24-44-34-9-5-4-8-32(28)34)11-10-33(26-6-2-1-3-7-26)45-51-19-16-46-14-17-50-18-15-46/h1-9,20-21,23-24,31,44H,10-19,22,25H2/b45-33+/t31-/m1/s1
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n/an/an/a 1.26n/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Effect on IP3 turnover by phospholipaseC positively linked to human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1045-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.077
BindingDB Entry DOI: 10.7270/Q2XD12W0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50410798
PNG
(CHEMBL203113)
Show SMILES COc1ccccc1CNCCNC(=O)N1CCN([C@H](Cc2c[nH]c3ccccc23)C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H33F6N5O3/c1-47-29-9-5-2-6-21(29)18-40-10-11-41-31(46)43-12-13-44(26(20-43)16-23-19-42-28-8-4-3-7-27(23)28)30(45)22-14-24(32(34,35)36)17-25(15-22)33(37,38)39/h2-9,14-15,17,19,26,40,42H,10-13,16,18,20H2,1H3,(H,41,46)/t26-/m1/s1
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Solvay Pharma

Curated by ChEMBL


Assay Description
Effect on IP3 turnover by phospholipaseC positively linked to human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1045-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.077
BindingDB Entry DOI: 10.7270/Q2XD12W0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50410788
PNG
(CHEMBL204979)
Show SMILES C\C(CCN1CCN([C@H](Cc2c[nH]c3ccccc23)C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)=N\OCCN1CCOCC1
Show InChI InChI=1S/C32H37F6N5O3/c1-22(40-46-15-12-41-10-13-45-14-11-41)6-7-42-8-9-43(27(21-42)18-24-20-39-29-5-3-2-4-28(24)29)30(44)23-16-25(31(33,34)35)19-26(17-23)32(36,37)38/h2-5,16-17,19-20,27,39H,6-15,18,21H2,1H3/b40-22-/t27-/m1/s1
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Solvay Pharma

Curated by ChEMBL


Assay Description
Effect on IP3 turnover by phospholipaseC positively linked to human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1045-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.077
BindingDB Entry DOI: 10.7270/Q2XD12W0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50409642
PNG
(CHEMBL150997)
Show SMILES Clc1ccc(cc1Cl)C1(CCN2CC(C2)N2CCS(=O)(=O)CC2)CCC(=O)N(Cc2ccccc2)C1
Show InChI InChI=1S/C27H33Cl2N3O3S/c28-24-7-6-22(16-25(24)29)27(9-8-26(33)32(20-27)17-21-4-2-1-3-5-21)10-11-30-18-23(19-30)31-12-14-36(34,35)15-13-31/h1-7,16,23H,8-15,17-20H2
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay


J Med Chem 45: 5365-77 (2002)


Article DOI: 10.1021/jm0209331
BindingDB Entry DOI: 10.7270/Q2JD4Z0T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50410791
PNG
(CHEMBL262989)
Show SMILES C\C(CN1CCN([C@H](Cc2c[nH]c3ccccc23)C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)=N\OCc1ccccn1
Show InChI InChI=1S/C31H29F6N5O2/c1-20(40-44-19-25-6-4-5-9-38-25)17-41-10-11-42(26(18-41)14-22-16-39-28-8-3-2-7-27(22)28)29(43)21-12-23(30(32,33)34)15-24(13-21)31(35,36)37/h2-9,12-13,15-16,26,39H,10-11,14,17-19H2,1H3/b40-20-/t26-/m1/s1
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Solvay Pharma

Curated by ChEMBL


Assay Description
Effect on IP3 turnover by phospholipaseC positively linked to human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1045-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.077
BindingDB Entry DOI: 10.7270/Q2XD12W0
More data for this
Ligand-Target Pair
Substance-P 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
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay


J Med Chem 45: 5365-77 (2002)


Article DOI: 10.1021/jm0209331
BindingDB Entry DOI: 10.7270/Q2JD4Z0T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50409613
PNG
(CHEMBL150842)
Show SMILES Clc1ccc(cc1Cl)C1(CCN2CC(C2)N2CCC(=O)CC2)CCC(=O)N(CC2CC2)C1
Show InChI InChI=1S/C25H33Cl2N3O2/c26-22-4-3-19(13-23(22)27)25(8-5-24(32)30(17-25)14-18-1-2-18)9-12-28-15-20(16-28)29-10-6-21(31)7-11-29/h3-4,13,18,20H,1-2,5-12,14-17H2
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n/an/an/a 1.26n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay


J Med Chem 45: 5365-77 (2002)


Article DOI: 10.1021/jm0209331
BindingDB Entry DOI: 10.7270/Q2JD4Z0T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50410799
PNG
(CHEMBL381778)
Show SMILES C\C(CN1CCN([C@H](Cc2c[nH]c3ccccc23)C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)=N\OCCN1CCSCC1
Show InChI InChI=1S/C31H35F6N5O2S/c1-21(39-44-11-8-40-9-12-45-13-10-40)19-41-6-7-42(26(20-41)16-23-18-38-28-5-3-2-4-27(23)28)29(43)22-14-24(30(32,33)34)17-25(15-22)31(35,36)37/h2-5,14-15,17-18,26,38H,6-13,16,19-20H2,1H3/b39-21-/t26-/m1/s1
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n/an/an/a 1.26n/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Effect on IP3 turnover by phospholipaseC positively linked to human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1045-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.077
BindingDB Entry DOI: 10.7270/Q2XD12W0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50410790
PNG
(CHEMBL203064)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCN(C\C(=N/OCCCN2CCOCC2)c2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C37H39F6N5O3/c38-36(39,40)29-19-27(20-30(22-29)37(41,42)43)35(49)48-13-12-47(24-31(48)21-28-23-44-33-10-5-4-9-32(28)33)25-34(26-7-2-1-3-8-26)45-51-16-6-11-46-14-17-50-18-15-46/h1-5,7-10,19-20,22-23,31,44H,6,11-18,21,24-25H2/b45-34+/t31-/m1/s1
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n/an/an/a 1.26n/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Effect on IP3 turnover by phospholipaseC positively linked to human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1045-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.077
BindingDB Entry DOI: 10.7270/Q2XD12W0
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50002462
PNG
(1,3-Diethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-indo...)
Show SMILES CCn1c(\C=C\C=C2/N(C)c3ccccc3C2(C)C)[n+](CC)c2nc3ccccc3nc12
Show InChI InChI=1S/C27H30N5/c1-6-31-24(32(7-2)26-25(31)28-20-14-9-10-15-21(20)29-26)18-12-17-23-27(3,4)19-13-8-11-16-22(19)30(23)5/h8-18H,6-7H2,1-5H3/q+1
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n/an/an/a 1.5n/an/an/an/an/a



Rochester

Curated by ChEMBL


Assay Description
Scatchard analysis at concentration of the 10 uM :Apparent affinity constant (Kd) against tachykinin receptor 1


J Med Chem 34: 1751-3 (1991)


Article DOI: 10.1021/jm00109a034
BindingDB Entry DOI: 10.7270/Q2JQ11MP
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50409646
PNG
(CHEMBL151289)
Show SMILES OC1CCN(CC1)C1CN(CCC2(CCC(=O)N(CC3CC3)C2)c2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C25H35Cl2N3O2/c26-22-4-3-19(13-23(22)27)25(8-5-24(32)30(17-25)14-18-1-2-18)9-12-28-15-20(16-28)29-10-6-21(31)7-11-29/h3-4,13,18,20-21,31H,1-2,5-12,14-17H2
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n/an/an/a 1.58n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay


J Med Chem 45: 5365-77 (2002)


Article DOI: 10.1021/jm0209331
BindingDB Entry DOI: 10.7270/Q2JD4Z0T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50410785
PNG
(CHEMBL381814)
Show SMILES C\C(CCCN1CCN([C@H](Cc2c[nH]c3ccccc23)C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)=N\OCCN1CCOCC1
Show InChI InChI=1S/C33H39F6N5O3/c1-23(41-47-16-13-42-11-14-46-15-12-42)5-4-8-43-9-10-44(28(22-43)19-25-21-40-30-7-3-2-6-29(25)30)31(45)24-17-26(32(34,35)36)20-27(18-24)33(37,38)39/h2-3,6-7,17-18,20-21,28,40H,4-5,8-16,19,22H2,1H3/b41-23-/t28-/m1/s1
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n/an/an/a 1.58n/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Effect on IP3 turnover by phospholipaseC positively linked to human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1045-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.077
BindingDB Entry DOI: 10.7270/Q2XD12W0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50409636
PNG
(CHEMBL151088)
Show SMILES CC(=O)N1CCN(CC1)C1CN(CCC2(CCC(=O)N(Cc3ccccc3)C2)c2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C29H36Cl2N4O2/c1-22(36)33-13-15-34(16-14-33)25-19-32(20-25)12-11-29(24-7-8-26(30)27(31)17-24)10-9-28(37)35(21-29)18-23-5-3-2-4-6-23/h2-8,17,25H,9-16,18-21H2,1H3
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n/an/an/a 1.58n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay


J Med Chem 45: 5365-77 (2002)


Article DOI: 10.1021/jm0209331
BindingDB Entry DOI: 10.7270/Q2JD4Z0T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50410794
PNG
(CHEMBL204114)
Show SMILES CN1CCN(CCO\N=C(\C)CN2CCN([C@H](Cc3c[nH]c4ccccc34)C2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC1
Show InChI InChI=1S/C32H38F6N6O2/c1-22(40-46-14-13-42-9-7-41(2)8-10-42)20-43-11-12-44(27(21-43)17-24-19-39-29-6-4-3-5-28(24)29)30(45)23-15-25(31(33,34)35)18-26(16-23)32(36,37)38/h3-6,15-16,18-19,27,39H,7-14,17,20-21H2,1-2H3/b40-22-/t27-/m1/s1
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n/an/an/a 1.58n/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Effect on IP3 turnover by phospholipaseC positively linked to human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1045-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.077
BindingDB Entry DOI: 10.7270/Q2XD12W0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50409631
PNG
(CHEMBL345309)
Show SMILES NC1CCN(CC1)C1CN(CCC2(CCC(=O)N(CC3CC3)C2)c2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C25H36Cl2N4O/c26-22-4-3-19(13-23(22)27)25(8-5-24(32)31(17-25)14-18-1-2-18)9-12-29-15-21(16-29)30-10-6-20(28)7-11-30/h3-4,13,18,20-21H,1-2,5-12,14-17,28H2
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n/an/an/a 2n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay


J Med Chem 45: 5365-77 (2002)


Article DOI: 10.1021/jm0209331
BindingDB Entry DOI: 10.7270/Q2JD4Z0T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50410805
PNG
(CHEMBL381825)
Show SMILES CC(CO\N=C(\C)CN1CCN([C@H](Cc2c[nH]c3ccccc23)C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCOCC1
Show InChI InChI=1S/C32H37F6N5O3/c1-21(40-46-20-22(2)42-9-11-45-12-10-42)18-41-7-8-43(27(19-41)15-24-17-39-29-6-4-3-5-28(24)29)30(44)23-13-25(31(33,34)35)16-26(14-23)32(36,37)38/h3-6,13-14,16-17,22,27,39H,7-12,15,18-20H2,1-2H3/b40-21-/t22?,27-/m1/s1
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n/an/an/a 2n/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Effect on IP3 turnover by phospholipaseC positively linked to human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1045-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.077
BindingDB Entry DOI: 10.7270/Q2XD12W0
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50409633
PNG
(CHEMBL358418)
Show SMILES Clc1ccc(cc1Cl)C1(CCN2CC(C2)N2CCCOCC2)CCC(=O)N(Cc2ccccc2)C1
Show InChI InChI=1S/C28H35Cl2N3O2/c29-25-8-7-23(17-26(25)30)28(10-9-27(34)33(21-28)18-22-5-2-1-3-6-22)11-13-31-19-24(20-31)32-12-4-15-35-16-14-32/h1-3,5-8,17,24H,4,9-16,18-21H2
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n/an/an/a 2n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay


J Med Chem 45: 5365-77 (2002)


Article DOI: 10.1021/jm0209331
BindingDB Entry DOI: 10.7270/Q2JD4Z0T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50409652
PNG
(CHEMBL150537)
Show SMILES OC1CCN(C1)C1CN(CCC2(CCC(=O)N(Cc3ccccc3)C2)c2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C27H33Cl2N3O2/c28-24-7-6-21(14-25(24)29)27(11-13-30-16-22(17-30)31-12-9-23(33)18-31)10-8-26(34)32(19-27)15-20-4-2-1-3-5-20/h1-7,14,22-23,33H,8-13,15-19H2
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n/an/an/a 2n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay


J Med Chem 45: 5365-77 (2002)


Article DOI: 10.1021/jm0209331
BindingDB Entry DOI: 10.7270/Q2JD4Z0T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50409626
PNG
(CHEMBL150585)
Show SMILES OC1CCCN(C1)C1CN(CCC2(CCC(=O)N(Cc3ccccc3)C2)c2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C28H35Cl2N3O2/c29-25-9-8-22(15-26(25)30)28(11-10-27(35)33(20-28)16-21-5-2-1-3-6-21)12-14-31-17-23(18-31)32-13-4-7-24(34)19-32/h1-3,5-6,8-9,15,23-24,34H,4,7,10-14,16-20H2
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n/an/an/a 2n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay


J Med Chem 45: 5365-77 (2002)


Article DOI: 10.1021/jm0209331
BindingDB Entry DOI: 10.7270/Q2JD4Z0T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50409619
PNG
(CHEMBL151155)
Show SMILES Clc1ccc(cc1Cl)C1(CCN2CC(C2)N2CCOCC2=O)CCC(=O)N(Cc2ccccc2)C1
Show InChI InChI=1S/C27H31Cl2N3O3/c28-23-7-6-21(14-24(23)29)27(9-8-25(33)31(19-27)15-20-4-2-1-3-5-20)10-11-30-16-22(17-30)32-12-13-35-18-26(32)34/h1-7,14,22H,8-13,15-19H2
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n/an/an/a 2.51n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay


J Med Chem 45: 5365-77 (2002)


Article DOI: 10.1021/jm0209331
BindingDB Entry DOI: 10.7270/Q2JD4Z0T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50409622
PNG
(CHEMBL347284)
Show SMILES Cc1cccc(CN2CC(CCN3CC(C3)N3CCOCC3)(CCC2=O)c2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C28H35Cl2N3O2/c1-21-3-2-4-22(15-21)17-33-20-28(8-7-27(33)34,23-5-6-25(29)26(30)16-23)9-10-31-18-24(19-31)32-11-13-35-14-12-32/h2-6,15-16,24H,7-14,17-20H2,1H3
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n/an/an/a 2.51n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Functional potency against Tachykinin receptor 2 (NK2) in rabbit pulmonary artery assay


J Med Chem 45: 5365-77 (2002)


Article DOI: 10.1021/jm0209331
BindingDB Entry DOI: 10.7270/Q2JD4Z0T
More data for this
Ligand-Target Pair
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