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Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'horgan' and Initial = 'sw'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Substance-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 |wD:10.10,17.20,(11.79,-2.71,;10.31,-3.13,;9.22,-2.04,;10.55,-1.27,;10.57,.27,;9.22,1.04,;7.89,.27,;7.89,-1.26,;6.56,-2.01,;6.56,-3.55,;5.21,-4.32,;3.92,-3.55,;3.16,-4.88,;4.65,-5.3,;3.88,-6.63,;2.57,-5.86,;2.57,-4.32,;5.21,-5.86,;6.56,-6.63,;6.54,-8.17,;5.21,-8.94,;5.21,-10.48,;6.54,-11.25,;7.89,-10.48,;7.87,-8.94,;7.89,-5.86,;9.22,-6.63,;10.55,-5.88,;10.55,-4.34,;9.22,-3.55,;7.89,-4.34,)|
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/a 0.330n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP

Bioorg Med Chem Lett 6: 951-956 (1996)


Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50071484
PNG
(CHEMBL308148 | N-[(R)-4-(4-Acetylamino-4-phenyl-pi...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1
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n/an/a 0.440n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 6: 951-956 (1996)


Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794
More data for this
Ligand-Target Pair
Substance-K receptor


(Mus musculus)		BDBM50290298
PNG
((1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimet...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(=O)N2CCOCC2)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C38H45Cl2N3O6/c1-46-32-23-27(24-33(47-2)34(32)48-3)35(44)43-18-12-37(26-43,29-9-10-30(39)31(40)25-29)11-15-41-16-13-38(14-17-41,28-7-5-4-6-8-28)36(45)42-19-21-49-22-20-42/h4-10,23-25H,11-22,26H2,1-3H3/t37-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-K receptor


(Mus musculus)		BDBM50290306
PNG
((1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimet...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(=O)N2CCN(C)CC2)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C39H48Cl2N4O5/c1-42-20-22-44(23-21-42)37(47)39(29-8-6-5-7-9-29)14-17-43(18-15-39)16-12-38(30-10-11-31(40)32(41)26-30)13-19-45(27-38)36(46)28-24-33(48-2)35(50-4)34(25-28)49-3/h5-11,24-26H,12-23,27H2,1-4H3/t38-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50290302
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)c2ccncc2)(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C33H38Cl2N4O5/c1-42-27-18-22(19-28(43-2)29(27)44-3)30(40)39-17-9-32(21-39,24-4-5-25(34)26(35)20-24)8-14-38-15-10-33(11-16-38,31(36)41)23-6-12-37-13-7-23/h4-7,12-13,18-20H,8-11,14-17,21H2,1-3H3,(H2,36,41)/t32-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK1 receptor in guinea pig lung was determined by using [125 I]-Bolton Hunter labeled SP

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-P receptor


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

Curated by ChEMBL


Assay Description
Binding affinity for NK1 receptor in guinea pig lung was determined by using [125 I]-Bolton Hunter labeled SP

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		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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n/an/a 3.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP

Bioorg Med Chem Lett 6: 951-956 (1996)


Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794
More data for this
Ligand-Target Pair
Substance-K receptor


(Mus musculus)		BDBM50290303
PNG
((1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)(C(=O)N2CCN(C)CC2)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C39H48Cl2N4O5/c1-42-20-22-44(23-21-42)37(47)39(29-8-6-5-7-9-29)14-17-43(18-15-39)16-12-38(30-10-11-31(40)32(41)26-30)13-19-45(27-38)36(46)28-24-33(48-2)35(50-4)34(25-28)49-3/h5-11,24-26H,12-23,27H2,1-4H3
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n/an/a 3.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50290297
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 |r|
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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TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK1 receptor in guinea pig lung was determined by using [125 I]-Bolton Hunter labeled SP

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-K receptor


(Mus musculus)		BDBM50290312
PNG
((1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)(C(=O)N2CCOCC2)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C38H45Cl2N3O6/c1-46-32-23-27(24-33(47-2)34(32)48-3)35(44)43-18-12-37(26-43,29-9-10-30(39)31(40)25-29)11-15-41-16-13-38(14-17-41,28-7-5-4-6-8-28)36(45)42-19-21-49-22-20-42/h4-10,23-25H,11-22,26H2,1-3H3
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n/an/a 3.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-P receptor


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

Curated by ChEMBL


Assay Description
Binding affinity for NK1 receptor in guinea pig lung was determined by using [125 I]-Bolton Hunter labeled SP

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-K receptor


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

Curated by ChEMBL


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

Bioorg Med Chem Lett 6: 951-956 (1996)


Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50290307
PNG
(1'-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimet...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(N)=O)c2cccnc2)(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C33H38Cl2N4O5/c1-42-27-17-22(18-28(43-2)29(27)44-3)30(40)39-16-9-32(21-39,23-6-7-25(34)26(35)19-23)8-13-38-14-10-33(11-15-38,31(36)41)24-5-4-12-37-20-24/h4-7,12,17-20H,8-11,13-16,21H2,1-3H3,(H2,36,41)/t32-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK1 receptor in guinea pig lung was determined by using [125 I]-Bolton Hunter labeled SP

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50290298
PNG
((1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimet...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(=O)N2CCOCC2)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C38H45Cl2N3O6/c1-46-32-23-27(24-33(47-2)34(32)48-3)35(44)43-18-12-37(26-43,29-9-10-30(39)31(40)25-29)11-15-41-16-13-38(14-17-41,28-7-5-4-6-8-28)36(45)42-19-21-49-22-20-42/h4-10,23-25H,11-22,26H2,1-3H3/t37-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK1 receptor in guinea pig lung was determined by using [125 I]-Bolton Hunter labeled SP

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-P receptor


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

Curated by ChEMBL


Assay Description
Binding affinity for NK1 receptor in guinea pig lung was determined by using [125 I]-Bolton Hunter labeled SP

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-K receptor


(Mus musculus)		BDBM50290313
PNG
((1'-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trime...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(=O)N2CCN(C)CC2)c2cccnc2)(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C38H47Cl2N5O5/c1-42-18-20-44(21-19-42)36(47)38(29-6-5-13-41-25-29)11-15-43(16-12-38)14-9-37(28-7-8-30(39)31(40)24-28)10-17-45(26-37)35(46)27-22-32(48-2)34(50-4)33(23-27)49-3/h5-8,13,22-25H,9-12,14-21,26H2,1-4H3/t37-/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50290305
PNG
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccncc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H38Cl2N4O5/c1-42-27-18-22(19-28(43-2)29(27)44-3)30(40)39-17-9-32(21-39,24-4-5-25(34)26(35)20-24)8-14-38-15-10-33(11-16-38,31(36)41)23-6-12-37-13-7-23/h4-7,12-13,18-20H,8-11,14-17,21H2,1-3H3,(H2,36,41)
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n/an/a 4.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK1 receptor in guinea pig lung was determined by using [125 I]-Bolton Hunter labeled SP

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		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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n/an/a 5.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK1 receptor in guinea pig lung was determined by using [125 I]-Bolton Hunter labeled SP

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		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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n/an/a 6.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP

Bioorg Med Chem Lett 6: 951-956 (1996)


Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50289180
PNG
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(4-methoxy-3,5-dim...)
Show SMILES COc1c(C)cc(cc1C)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H39Cl2N3O3/c1-23-19-25(20-24(2)30(23)42-3)31(40)39-18-12-33(22-39,27-9-10-28(35)29(36)21-27)11-15-38-16-13-34(14-17-38,32(37)41)26-7-5-4-6-8-26/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)
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n/an/a 6.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 6: 951-956 (1996)


Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794
More data for this
Ligand-Target Pair
Substance-K receptor


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



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 6: 951-956 (1996)


Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50290299
PNG
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)(C(=O)NCCN2CCOCC2)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C40H50Cl2N4O6/c1-49-34-25-29(26-35(50-2)36(34)51-3)37(47)46-19-12-39(28-46,31-9-10-32(41)33(42)27-31)11-16-44-17-13-40(14-18-44,30-7-5-4-6-8-30)38(48)43-15-20-45-21-23-52-24-22-45/h4-10,25-27H,11-24,28H2,1-3H3,(H,43,48)
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n/an/a 7.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK1 receptor in guinea pig lung was determined by using [125 I]-Bolton Hunter labeled SP

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-K receptor


(Mus musculus)		BDBM50290307
PNG
(1'-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimet...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(N)=O)c2cccnc2)(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C33H38Cl2N4O5/c1-42-27-17-22(18-28(43-2)29(27)44-3)30(40)39-16-9-32(21-39,23-6-7-25(34)26(35)19-23)8-13-38-14-10-33(11-15-38,31(36)41)24-5-4-12-37-20-24/h4-7,12,17-20H,8-11,13-16,21H2,1-3H3,(H2,36,41)/t32-/m0/s1
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n/an/a 7.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50290295
PNG
(1'-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2cccnc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H38Cl2N4O5/c1-42-27-17-22(18-28(43-2)29(27)44-3)30(40)39-16-9-32(21-39,23-6-7-25(34)26(35)19-23)8-13-38-14-10-33(11-15-38,31(36)41)24-5-4-12-37-20-24/h4-7,12,17-20H,8-11,13-16,21H2,1-3H3,(H2,36,41)
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n/an/a 8.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK1 receptor in guinea pig lung was determined by using [125 I]-Bolton Hunter labeled SP

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		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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n/an/a 8.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 6: 951-956 (1996)


Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794
More data for this
Ligand-Target Pair
Substance-K receptor


(Mus musculus)		BDBM50290297
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 |r|
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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n/an/a 8.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50290314
PNG
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-...)
Show SMILES COc1cccc(c1)C1(CCN(CCC2(CCN(C2)C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccc(Cl)c(Cl)c2)CC1)C(N)=O
Show InChI InChI=1S/C35H41Cl2N3O6/c1-43-26-7-5-6-25(20-26)35(33(38)42)12-15-39(16-13-35)14-10-34(24-8-9-27(36)28(37)21-24)11-17-40(22-34)32(41)23-18-29(44-2)31(46-4)30(19-23)45-3/h5-9,18-21H,10-17,22H2,1-4H3,(H2,38,42)
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n/an/a 8.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK1 receptor in guinea pig lung was determined by using [125 I]-Bolton Hunter labeled SP

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50290311
PNG
(1-{2-[3-(4-Chloro-phenyl)-1-(3,4,5-trimethoxy-benz...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C34H40ClN3O5/c1-41-28-21-24(22-29(42-2)30(28)43-3)31(39)38-20-14-33(23-38,25-9-11-27(35)12-10-25)13-17-37-18-15-34(16-19-37,32(36)40)26-7-5-4-6-8-26/h4-12,21-22H,13-20,23H2,1-3H3,(H2,36,40)
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n/an/a 8.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK1 receptor in guinea pig lung was determined by using [125 I]-Bolton Hunter labeled SP

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50290312
PNG
((1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)(C(=O)N2CCOCC2)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C38H45Cl2N3O6/c1-46-32-23-27(24-33(47-2)34(32)48-3)35(44)43-18-12-37(26-43,29-9-10-30(39)31(40)25-29)11-15-41-16-13-38(14-17-41,28-7-5-4-6-8-28)36(45)42-19-21-49-22-20-42/h4-10,23-25H,11-22,26H2,1-3H3
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n/an/a 8.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK1 receptor in guinea pig lung was determined by using [125 I]-Bolton Hunter labeled SP

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-K receptor


(Mus musculus)		BDBM50290300
PNG
((1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)(C(=O)N2CCCCC2)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C39H47Cl2N3O5/c1-47-33-24-28(25-34(48-2)35(33)49-3)36(45)44-23-15-38(27-44,30-12-13-31(40)32(41)26-30)14-20-42-21-16-39(17-22-42,29-10-6-4-7-11-29)37(46)43-18-8-5-9-19-43/h4,6-7,10-13,24-26H,5,8-9,14-23,27H2,1-3H3
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n/an/a 9.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50290308
PNG
(1-{2-[3-(3,4-Difluoro-phenyl)-1-(3,4,5-trimethoxy-...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C34H39F2N3O5/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)
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n/an/a 9.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK1 receptor in guinea pig lung was determined by using [125 I]-Bolton Hunter labeled SP

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-K receptor


(Mus musculus)		BDBM50290302
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)c2ccncc2)(C1)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C33H38Cl2N4O5/c1-42-27-18-22(19-28(43-2)29(27)44-3)30(40)39-17-9-32(21-39,24-4-5-25(34)26(35)20-24)8-14-38-15-10-33(11-16-38,31(36)41)23-6-12-37-13-7-23/h4-7,12-13,18-20H,8-11,14-17,21H2,1-3H3,(H2,36,41)/t32-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50290309
PNG
(1-{2-[3-(3-Chloro-phenyl)-1-(3,4,5-trimethoxy-benz...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1cccc(Cl)c1
Show InChI InChI=1S/C34H40ClN3O5/c1-41-28-20-24(21-29(42-2)30(28)43-3)31(39)38-19-13-33(23-38,26-10-7-11-27(35)22-26)12-16-37-17-14-34(15-18-37,32(36)40)25-8-5-4-6-9-25/h4-11,20-22H,12-19,23H2,1-3H3,(H2,36,40)
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK1 receptor in guinea pig lung was determined by using [125 I]-Bolton Hunter labeled SP

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50289184
PNG
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(3-methoxy-benzoyl...)
Show SMILES COc1cccc(c1)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H35Cl2N3O3/c1-40-26-9-5-6-23(20-26)29(38)37-19-13-31(22-37,25-10-11-27(33)28(34)21-25)12-16-36-17-14-32(15-18-36,30(35)39)24-7-3-2-4-8-24/h2-11,20-21H,12-19,22H2,1H3,(H2,35,39)
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 6: 951-956 (1996)


Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794
More data for this
Ligand-Target Pair
Substance-K receptor


(Mus musculus)		BDBM50290310
PNG
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccc(F)cc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H38Cl2FN3O5/c1-43-28-18-22(19-29(44-2)30(28)45-3)31(41)40-17-11-33(21-40,24-6-9-26(35)27(36)20-24)10-14-39-15-12-34(13-16-39,32(38)42)23-4-7-25(37)8-5-23/h4-9,18-20H,10-17,21H2,1-3H3,(H2,38,42)
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50289181
PNG
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(4-methoxy-benzoyl...)
Show SMILES COc1ccc(cc1)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H35Cl2N3O3/c1-40-26-10-7-23(8-11-26)29(38)37-20-14-31(22-37,25-9-12-27(33)28(34)21-25)13-17-36-18-15-32(16-19-36,30(35)39)24-5-3-2-4-6-24/h2-12,21H,13-20,22H2,1H3,(H2,35,39)
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 6: 951-956 (1996)


Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794
More data for this
Ligand-Target Pair
Substance-K receptor


(Mus musculus)		BDBM50290299
PNG
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)(C(=O)NCCN2CCOCC2)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C40H50Cl2N4O6/c1-49-34-25-29(26-35(50-2)36(34)51-3)37(47)46-19-12-39(28-46,31-9-10-32(41)33(42)27-31)11-16-44-17-13-40(14-18-44,30-7-5-4-6-8-30)38(48)43-15-20-45-21-23-52-24-22-45/h4-10,25-27H,11-24,28H2,1-3H3,(H,43,48)
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50289191
PNG
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,5-dimethoxy-4-m...)
Show SMILES COc1cc(cc(OC)c1C)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H39Cl2N3O4/c1-23-29(42-2)19-24(20-30(23)43-3)31(40)39-18-12-33(22-39,26-9-10-27(35)28(36)21-26)11-15-38-16-13-34(14-17-38,32(37)41)25-7-5-4-6-8-25/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 6: 951-956 (1996)


Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50290310
PNG
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccc(F)cc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C34H38Cl2FN3O5/c1-43-28-18-22(19-29(44-2)30(28)45-3)31(41)40-17-11-33(21-40,24-6-9-26(35)27(36)20-24)10-14-39-15-12-34(13-16-39,32(38)42)23-4-7-25(37)8-5-23/h4-9,18-20H,10-17,21H2,1-3H3,(H2,38,42)
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK1 receptor in guinea pig lung was determined by using [125 I]-Bolton Hunter labeled SP

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-K receptor


(Mus musculus)		BDBM50290295
PNG
(1'-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2cccnc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H38Cl2N4O5/c1-42-27-17-22(18-28(43-2)29(27)44-3)30(40)39-16-9-32(21-39,23-6-7-25(34)26(35)19-23)8-13-38-14-10-33(11-15-38,31(36)41)24-5-4-12-37-20-24/h4-7,12,17-20H,8-11,13-16,21H2,1-3H3,(H2,36,41)
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-K receptor


(Mus musculus)		BDBM50290305
PNG
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccncc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H38Cl2N4O5/c1-42-27-18-22(19-28(43-2)29(27)44-3)30(40)39-17-9-32(21-39,24-4-5-25(34)26(35)20-24)8-14-38-15-10-33(11-16-38,31(36)41)23-6-12-37-13-7-23/h4-7,12-13,18-20H,8-11,14-17,21H2,1-3H3,(H2,36,41)
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50289186
PNG
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(2-methoxy-benzoyl...)
Show SMILES COc1ccccc1C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C32H35Cl2N3O3/c1-40-28-10-6-5-9-25(28)29(38)37-20-14-31(22-37,24-11-12-26(33)27(34)21-24)13-17-36-18-15-32(16-19-36,30(35)39)23-7-3-2-4-8-23/h2-12,21H,13-20,22H2,1H3,(H2,35,39)
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n/an/a 17n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 6: 951-956 (1996)


Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794
More data for this
Ligand-Target Pair
Substance-K receptor


(Mus musculus)		BDBM50290314
PNG
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-...)
Show SMILES COc1cccc(c1)C1(CCN(CCC2(CCN(C2)C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccc(Cl)c(Cl)c2)CC1)C(N)=O
Show InChI InChI=1S/C35H41Cl2N3O6/c1-43-26-7-5-6-25(20-26)35(33(38)42)12-15-39(16-13-35)14-10-34(24-8-9-27(36)28(37)21-24)11-17-40(22-34)32(41)23-18-29(44-2)31(46-4)30(19-23)45-3/h5-9,18-21H,10-17,22H2,1-4H3,(H2,38,42)
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n/an/a 17n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		BDBM50289192
PNG
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,5-dimethoxy-ben...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H37Cl2N3O4/c1-41-26-18-23(19-27(21-26)42-2)30(39)38-17-11-32(22-38,25-8-9-28(34)29(35)20-25)10-14-37-15-12-33(13-16-37,31(36)40)24-6-4-3-5-7-24/h3-9,18-21H,10-17,22H2,1-2H3,(H2,36,40)
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 6: 951-956 (1996)


Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794
More data for this
Ligand-Target Pair
Substance-K receptor


(Homo sapiens (Human))		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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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 6: 951-956 (1996)


Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)		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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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
NK3 IC50 determined using [125I]-Bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortex

Bioorg Med Chem Lett 6: 951-956 (1996)


Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794
More data for this
Ligand-Target Pair
Substance-K receptor


(Mus musculus)		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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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50289185
PNG
(1-{2-[3-(3,4-Dichloro-phenyl)-1-(2,6-dimethoxy-ben...)
Show SMILES COc1cccc(OC)c1C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C33H37Cl2N3O4/c1-41-27-9-6-10-28(42-2)29(27)30(39)38-20-14-32(22-38,24-11-12-25(34)26(35)21-24)13-17-37-18-15-33(16-19-37,31(36)40)23-7-4-3-5-8-23/h3-12,21H,13-20,22H2,1-2H3,(H2,36,40)
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n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SP

Bioorg Med Chem Lett 6: 951-956 (1996)


Article DOI: 10.1016/0960-894X(96)00148-5
BindingDB Entry DOI: 10.7270/Q2GM8794
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50290304
PNG
(1-{2-[3-(4-Fluoro-phenyl)-1-(3,4,5-trimethoxy-benz...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(F)cc1
Show InChI InChI=1S/C34H40FN3O5/c1-41-28-21-24(22-29(42-2)30(28)43-3)31(39)38-20-14-33(23-38,25-9-11-27(35)12-10-25)13-17-37-18-15-34(16-19-37,32(36)40)26-7-5-4-6-8-26/h4-12,21-22H,13-20,23H2,1-3H3,(H2,36,40)
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Article
n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK1 receptor in guinea pig lung was determined by using [125 I]-Bolton Hunter labeled SP

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50290300
PNG
((1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCC(CCN2CCC(CC2)(C(=O)N2CCCCC2)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C39H47Cl2N3O5/c1-47-33-24-28(25-34(48-2)35(33)49-3)36(45)44-23-15-38(27-44,30-12-13-31(40)32(41)26-30)14-20-42-21-16-39(17-22-42,29-10-6-4-7-11-29)37(46)43-18-8-5-9-19-43/h4,6-7,10-13,24-26H,5,8-9,14-23,27H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for NK1 receptor in guinea pig lung was determined by using [125 I]-Bolton Hunter labeled SP

Bioorg Med Chem Lett 7: 2531-2536 (1997)


Article DOI: 10.1016/S0960-894X(97)10013-0
BindingDB Entry DOI: 10.7270/Q2154H1T
More data for this
Ligand-Target Pair
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