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Compile Data Set for Download or QSAR

Found 51 hits Enz. Inhib. hit(s) with all data for entry = 50035197   
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
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in mouse cerebral cortical membranes using [125I]Tyr(SO3H)27]-CCK-8 binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50000041
PNG
((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)
Show SMILES COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Tachykinin receptor 1 in guinea pig ileum using organ bath assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
B2 bradykinin receptor


(RAT)		BDBM50097740
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N[N-]C(=[SH+])NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C29H27N5O6S2/c35-27(36)20-33(19-21-10-4-1-5-11-21)42(39,40)24-16-17-25(26(18-24)34(37)38)31-32-29(41)30-28(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-18,28,31H,19-20H2,(H3,30,32,35,36,41)
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n/an/a 410n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50097732
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(N[N-]C(=[SH+])NCCc2c[nH]c3ccccc23)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C27H28N6O6S2/c34-26(35)13-15-32(18-19-6-2-1-3-7-19)41(38,39)21-10-11-24(25(16-21)33(36)37)30-31-27(40)28-14-12-20-17-29-23-9-5-4-8-22(20)23/h1-11,16-17,29-30H,12-15,18H2,(H3,28,31,34,35,40)
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n/an/a 510n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in mouse cerebral cortical membranes using [125I]Tyr(SO3H)27]-CCK-8 binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50097727
PNG
((S)-1-{N'-[4-(2-Methylsulfanyl-ethylsulfamoyl)-2-n...)
Show SMILES CSCCNS(=O)(=O)c1ccc(N[N-]C(=[SH+])N2CCCC2C(=O)NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C28H32N6O5S3/c1-41-18-16-29-42(38,39)22-14-15-23(25(19-22)34(36)37)31-32-28(40)33-17-8-13-24(33)27(35)30-26(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-15,19,24,26,29,31H,8,13,16-18H2,1H3,(H2,30,32,35,40)
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n/an/a 980n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Tachykinin receptor 1 in guinea pig ileum using organ bath assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50097733
PNG
((S)-1-[N'-(2-Nitro-phenyl)-hydrazinothiocarbonyl]-...)
Show SMILES [O-][N+](=O)c1ccccc1N[N-]C(=[SH+])N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H25N5O3S/c31-24(26-23(18-10-3-1-4-11-18)19-12-5-2-6-13-19)22-16-9-17-29(22)25(34)28-27-20-14-7-8-15-21(20)30(32)33/h1-8,10-15,22-23,27H,9,16-17H2,(H2,26,28,31,34)
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n/an/a 1.67E+3n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Tachykinin receptor 1 in guinea pig ileum using organ bath assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50097733
PNG
((S)-1-[N'-(2-Nitro-phenyl)-hydrazinothiocarbonyl]-...)
Show SMILES [O-][N+](=O)c1ccccc1N[N-]C(=[SH+])N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H25N5O3S/c31-24(26-23(18-10-3-1-4-11-18)19-12-5-2-6-13-19)22-16-9-17-29(22)25(34)28-27-20-14-7-8-15-21(20)30(32)33/h1-8,10-15,22-23,27H,9,16-17H2,(H2,26,28,31,34)
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n/an/a 1.67E+3n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Tachykinin receptor 1 in guinea pig ileum using organ bath assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50097726
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N[N-]C(=[SH+])NCCc2c[nH]c3ccccc23)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C26H26N6O6S2/c33-25(34)17-31(16-18-6-2-1-3-7-18)40(37,38)20-10-11-23(24(14-20)32(35)36)29-30-26(39)27-13-12-19-15-28-22-9-5-4-8-21(19)22/h1-11,14-15,28-29H,12-13,16-17H2,(H3,27,30,33,34,39)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in mouse cerebral cortical membranes using [125I]Tyr(SO3H)27]-CCK-8 binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50097740
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N[N-]C(=[SH+])NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C29H27N5O6S2/c35-27(36)20-33(19-21-10-4-1-5-11-21)42(39,40)24-16-17-25(26(18-24)34(37)38)31-32-29(41)30-28(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-18,28,31H,19-20H2,(H3,30,32,35,36,41)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in mouse cerebral cortical membranes using [125I]Tyr(SO3H)27]-CCK-8 binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50097733
PNG
((S)-1-[N'-(2-Nitro-phenyl)-hydrazinothiocarbonyl]-...)
Show SMILES [O-][N+](=O)c1ccccc1N[N-]C(=[SH+])N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H25N5O3S/c31-24(26-23(18-10-3-1-4-11-18)19-12-5-2-6-13-19)22-16-9-17-29(22)25(34)28-27-20-14-7-8-15-21(20)30(32)33/h1-8,10-15,22-23,27H,9,16-17H2,(H2,26,28,31,34)
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n/an/a 2.31E+3n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Tachykinin receptor 1 in guinea pig ileum using organ bath assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50097730
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N[N-]C(=[SH+])NCCc2c[nH]c3ccccc23)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C28H30N6O6S2/c35-27(36)11-6-16-33(19-20-7-2-1-3-8-20)42(39,40)22-12-13-25(26(17-22)34(37)38)31-32-28(41)29-15-14-21-18-30-24-10-5-4-9-23(21)24/h1-5,7-10,12-13,17-18,30-31H,6,11,14-16,19H2,(H3,29,32,35,36,41)
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n/an/a 2.43E+3n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in mouse cerebral cortical membranes using [125I]Tyr(SO3H)27]-CCK-8 binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50097742
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)c1cccc(NS(=O)(=O)c2ccc(N[N-]C(=[SH+])NCCc3c[nH]c4ccccc34)c(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C24H22N6O6S2/c31-23(32)15-4-3-5-17(12-15)29-38(35,36)18-8-9-21(22(13-18)30(33)34)27-28-24(37)25-11-10-16-14-26-20-7-2-1-6-19(16)20/h1-9,12-14,26-27,29H,10-11H2,(H3,25,28,31,32,37)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in mouse cerebral cortical membranes using [125I]Tyr(SO3H)27]-CCK-8 binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50097743
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)c1cccc(c1)N(Cc1ccccc1)S(=O)(=O)c1ccc(N[N-]C(=[SH+])NCCc2c[nH]c3ccccc23)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C31H28N6O6S2/c38-30(39)22-9-6-10-24(17-22)36(20-21-7-2-1-3-8-21)45(42,43)25-13-14-28(29(18-25)37(40)41)34-35-31(44)32-16-15-23-19-33-27-12-5-4-11-26(23)27/h1-14,17-19,33-34H,15-16,20H2,(H3,32,35,38,39,44)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in mouse cerebral cortical membranes using [125I]Tyr(SO3H)27]-CCK-8 binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50097738
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)c1ccccc1NS(=O)(=O)c1ccc(N[N-]C(=[SH+])NCCc2c[nH]c3ccccc23)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H22N6O6S2/c31-23(32)18-6-2-4-8-20(18)29-38(35,36)16-9-10-21(22(13-16)30(33)34)27-28-24(37)25-12-11-15-14-26-19-7-3-1-5-17(15)19/h1-10,13-14,26-27,29H,11-12H2,(H3,25,28,31,32,37)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in mouse cerebral cortical membranes using [125I]Tyr(SO3H)27]-CCK-8 binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50097731
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(N[N-]C(=[SH+])NCCc2c[nH]c3ccccc23)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C27H28N6O6S2/c34-26(35)18-32(15-13-19-6-2-1-3-7-19)41(38,39)21-10-11-24(25(16-21)33(36)37)30-31-27(40)28-14-12-20-17-29-23-9-5-4-8-22(20)23/h1-11,16-17,29-30H,12-15,18H2,(H3,28,31,34,35,40)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in mouse cerebral cortical membranes using [125I]Tyr(SO3H)27]-CCK-8 binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50097725
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)CN(CCCc1ccccc1)S(=O)(=O)c1ccc(N[N-]C(=[SH+])NCCc2c[nH]c3ccccc23)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C28H30N6O6S2/c35-27(36)19-33(16-6-9-20-7-2-1-3-8-20)42(39,40)22-12-13-25(26(17-22)34(37)38)31-32-28(41)29-15-14-21-18-30-24-11-5-4-10-23(21)24/h1-5,7-8,10-13,17-18,30-31H,6,9,14-16,19H2,(H3,29,32,35,36,41)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in mouse cerebral cortical membranes using [125I]Tyr(SO3H)27]-CCK-8 binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50097727
PNG
((S)-1-{N'-[4-(2-Methylsulfanyl-ethylsulfamoyl)-2-n...)
Show SMILES CSCCNS(=O)(=O)c1ccc(N[N-]C(=[SH+])N2CCCC2C(=O)NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C28H32N6O5S3/c1-41-18-16-29-42(38,39)22-14-15-23(25(19-22)34(36)37)31-32-28(40)33-17-8-13-24(33)27(35)30-26(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-15,19,24,26,29,31H,8,13,16-18H2,1H3,(H2,30,32,35,40)
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n/an/a 7.93E+3n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Tachykinin receptor 1 in guinea pig ileum using organ bath assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50097727
PNG
((S)-1-{N'-[4-(2-Methylsulfanyl-ethylsulfamoyl)-2-n...)
Show SMILES CSCCNS(=O)(=O)c1ccc(N[N-]C(=[SH+])N2CCCC2C(=O)NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C28H32N6O5S3/c1-41-18-16-29-42(38,39)22-14-15-23(25(19-22)34(36)37)31-32-28(40)33-17-8-13-24(33)27(35)30-26(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-15,19,24,26,29,31H,8,13,16-18H2,1H3,(H2,30,32,35,40)
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n/an/a 7.93E+3n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Tachykinin receptor 1 in guinea pig ileum using organ bath assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50097728
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)c1ccc(NS(=O)(=O)c2ccc(N[N-]C(=[SH+])NCCc3c[nH]c4ccccc34)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C24H22N6O6S2/c31-23(32)15-5-7-17(8-6-15)29-38(35,36)18-9-10-21(22(13-18)30(33)34)27-28-24(37)25-12-11-16-14-26-20-4-2-1-3-19(16)20/h1-10,13-14,26-27,29H,11-12H2,(H3,25,28,31,32,37)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in mouse cerebral cortical membranes using [125I]Tyr(SO3H)27]-CCK-8 binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50097723
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)CCCNS(=O)(=O)c1ccc(N[N-]C(=[SH+])NCCc2c[nH]c3ccccc23)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H24N6O6S2/c28-20(29)6-3-10-24-35(32,33)15-7-8-18(19(12-15)27(30)31)25-26-21(34)22-11-9-14-13-23-17-5-2-1-4-16(14)17/h1-2,4-5,7-8,12-13,23-25H,3,6,9-11H2,(H3,22,26,28,29,34)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in mouse cerebral cortical membranes using [125I]Tyr(SO3H)27]-CCK-8 binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50097729
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)CCNS(=O)(=O)c1ccc(N[N-]C(=[SH+])NCCc2c[nH]c3ccccc23)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H22N6O6S2/c27-19(28)8-10-23-34(31,32)14-5-6-17(18(11-14)26(29)30)24-25-20(33)21-9-7-13-12-22-16-4-2-1-3-15(13)16/h1-6,11-12,22-24H,7-10H2,(H3,21,25,27,28,33)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in mouse cerebral cortical membranes using [125I]Tyr(SO3H)27]-CCK-8 binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50097734
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)c1ccc(NC(=[SH+])[N-]Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C24H22N6O6S2/c31-23(32)15-5-7-17(8-6-15)27-24(37)29-28-21-10-9-18(13-22(21)30(33)34)38(35,36)26-12-11-16-14-25-20-4-2-1-3-19(16)20/h1-10,13-14,25-26,28H,11-12H2,(H3,27,29,31,32,37)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in mouse cerebral cortical membranes using [125I]Tyr(SO3H)27]-CCK-8 binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50097737
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)c1cccc(NC(=[SH+])[N-]Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NCCc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C24H22N6O6S2/c31-23(32)15-4-3-5-17(12-15)27-24(37)29-28-21-9-8-18(13-22(21)30(33)34)38(35,36)26-11-10-16-14-25-20-7-2-1-6-19(16)20/h1-9,12-14,25-26,28H,10-11H2,(H3,27,29,31,32,37)
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n/an/a 3.10E+4n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in mouse cerebral cortical membranes using [125I]Tyr(SO3H)27]-CCK-8 binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)		BDBM50097736
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)CNS(=O)(=O)c1ccc(N[N-]C(=[SH+])NCCc2c[nH]c3ccccc23)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H20N6O6S2/c26-18(27)11-22-33(30,31)13-5-6-16(17(9-13)25(28)29)23-24-19(32)20-8-7-12-10-21-15-4-2-1-3-14(12)15/h1-6,9-10,21-23H,7-8,11H2,(H3,20,24,26,27,32)
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n/an/a 4.60E+4n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in mouse cerebral cortical membranes using [125I]Tyr(SO3H)27]-CCK-8 binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50097727
PNG
((S)-1-{N'-[4-(2-Methylsulfanyl-ethylsulfamoyl)-2-n...)
Show SMILES CSCCNS(=O)(=O)c1ccc(N[N-]C(=[SH+])N2CCCC2C(=O)NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C28H32N6O5S3/c1-41-18-16-29-42(38,39)22-14-15-23(25(19-22)34(36)37)31-32-28(40)33-17-8-13-24(33)27(35)30-26(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-15,19,24,26,29,31H,8,13,16-18H2,1H3,(H2,30,32,35,40)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Tachykinin receptor 1 in rabbit whole brain membranes using [3H][Sar9Met(O2)]-SP binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))		BDBM50097724
PNG
((R)-1-{N'-[4-(2-Methylsulfanyl-ethylsulfamoyl)-2-n...)
Show SMILES CSCCNS(=O)(=O)c1ccc(N[N-]C(=[SH+])N2CCCC2C(=O)NCc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H28N6O5S3/c1-35-13-11-24-36(32,33)17-9-10-18(20(14-17)28(30)31)25-26-22(34)27-12-5-8-19(27)21(29)23-15-16-6-3-2-4-7-16/h2-4,6-7,9-10,14,19,24-25H,5,8,11-13,15H2,1H3,(H2,23,26,29,34)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Tachykinin receptor 1 in rat whole forebrain membranes using [3H][Sar9Met(O2)]-SP binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)		BDBM50097733
PNG
((S)-1-[N'-(2-Nitro-phenyl)-hydrazinothiocarbonyl]-...)
Show SMILES [O-][N+](=O)c1ccccc1N[N-]C(=[SH+])N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H25N5O3S/c31-24(26-23(18-10-3-1-4-11-18)19-12-5-2-6-13-19)22-16-9-17-29(22)25(34)28-27-20-14-7-8-15-21(20)30(32)33/h1-8,10-15,22-23,27H,9,16-17H2,(H2,26,28,31,34)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50097724
PNG
((R)-1-{N'-[4-(2-Methylsulfanyl-ethylsulfamoyl)-2-n...)
Show SMILES CSCCNS(=O)(=O)c1ccc(N[N-]C(=[SH+])N2CCCC2C(=O)NCc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H28N6O5S3/c1-35-13-11-24-36(32,33)17-9-10-18(20(14-17)28(30)31)25-26-22(34)27-12-5-8-19(27)21(29)23-15-16-6-3-2-4-7-16/h2-4,6-7,9-10,14,19,24-25H,5,8,11-13,15H2,1H3,(H2,23,26,29,34)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Tachykinin receptor 1 in rabbit whole brain membranes using [3H][Sar9Met(O2)]-SP binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)		BDBM50097724
PNG
((R)-1-{N'-[4-(2-Methylsulfanyl-ethylsulfamoyl)-2-n...)
Show SMILES CSCCNS(=O)(=O)c1ccc(N[N-]C(=[SH+])N2CCCC2C(=O)NCc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H28N6O5S3/c1-35-13-11-24-36(32,33)17-9-10-18(20(14-17)28(30)31)25-26-22(34)27-12-5-8-19(27)21(29)23-15-16-6-3-2-4-7-16/h2-4,6-7,9-10,14,19,24-25H,5,8,11-13,15H2,1H3,(H2,23,26,29,34)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))		BDBM50097733
PNG
((S)-1-[N'-(2-Nitro-phenyl)-hydrazinothiocarbonyl]-...)
Show SMILES [O-][N+](=O)c1ccccc1N[N-]C(=[SH+])N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H25N5O3S/c31-24(26-23(18-10-3-1-4-11-18)19-12-5-2-6-13-19)22-16-9-17-29(22)25(34)28-27-20-14-7-8-15-21(20)30(32)33/h1-8,10-15,22-23,27H,9,16-17H2,(H2,26,28,31,34)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Tachykinin receptor 1 in rat whole forebrain membranes using [3H][Sar9Met(O2)]-SP binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)		BDBM50097743
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)c1cccc(c1)N(Cc1ccccc1)S(=O)(=O)c1ccc(N[N-]C(=[SH+])NCCc2c[nH]c3ccccc23)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C31H28N6O6S2/c38-30(39)22-9-6-10-24(17-22)36(20-21-7-2-1-3-8-21)45(42,43)25-13-14-28(29(18-25)37(40)41)34-35-31(44)32-16-15-23-19-33-27-12-5-4-11-26(23)27/h1-14,17-19,33-34H,15-16,20H2,(H3,32,35,38,39,44)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))		BDBM50097724
PNG
((R)-1-{N'-[4-(2-Methylsulfanyl-ethylsulfamoyl)-2-n...)
Show SMILES CSCCNS(=O)(=O)c1ccc(N[N-]C(=[SH+])N2CCCC2C(=O)NCc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H28N6O5S3/c1-35-13-11-24-36(32,33)17-9-10-18(20(14-17)28(30)31)25-26-22(34)27-12-5-8-19(27)21(29)23-15-16-6-3-2-4-7-16/h2-4,6-7,9-10,14,19,24-25H,5,8,11-13,15H2,1H3,(H2,23,26,29,34)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Tachykinin receptor 1 in rat whole forebrain membranes using [3H][Sar9Met(O2)]-SP binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)		BDBM50097731
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(N[N-]C(=[SH+])NCCc2c[nH]c3ccccc23)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C27H28N6O6S2/c34-26(35)18-32(15-13-19-6-2-1-3-7-19)41(38,39)21-10-11-24(25(16-21)33(36)37)30-31-27(40)28-14-12-20-17-29-23-9-5-4-8-22(20)23/h1-11,16-17,29-30H,12-15,18H2,(H3,28,31,34,35,40)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)		BDBM50097738
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)c1ccccc1NS(=O)(=O)c1ccc(N[N-]C(=[SH+])NCCc2c[nH]c3ccccc23)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C24H22N6O6S2/c31-23(32)18-6-2-4-8-20(18)29-38(35,36)16-9-10-21(22(13-16)30(33)34)27-28-24(37)25-12-11-15-14-26-19-7-3-1-5-17(15)19/h1-10,13-14,26-27,29H,11-12H2,(H3,25,28,31,32,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)		BDBM50097726
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N[N-]C(=[SH+])NCCc2c[nH]c3ccccc23)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C26H26N6O6S2/c33-25(34)17-31(16-18-6-2-1-3-7-18)40(37,38)20-10-11-23(24(14-20)32(35)36)29-30-26(39)27-13-12-19-15-28-22-9-5-4-8-21(19)22/h1-11,14-15,28-29H,12-13,16-17H2,(H3,27,30,33,34,39)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)		BDBM50097742
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)c1cccc(NS(=O)(=O)c2ccc(N[N-]C(=[SH+])NCCc3c[nH]c4ccccc34)c(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C24H22N6O6S2/c31-23(32)15-4-3-5-17(12-15)29-38(35,36)18-8-9-21(22(13-18)30(33)34)27-28-24(37)25-11-10-16-14-26-20-7-2-1-6-19(16)20/h1-9,12-14,26-27,29H,10-11H2,(H3,25,28,31,32,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))		BDBM50097724
PNG
((R)-1-{N'-[4-(2-Methylsulfanyl-ethylsulfamoyl)-2-n...)
Show SMILES CSCCNS(=O)(=O)c1ccc(N[N-]C(=[SH+])N2CCCC2C(=O)NCc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H28N6O5S3/c1-35-13-11-24-36(32,33)17-9-10-18(20(14-17)28(30)31)25-26-22(34)27-12-5-8-19(27)21(29)23-15-16-6-3-2-4-7-16/h2-4,6-7,9-10,14,19,24-25H,5,8,11-13,15H2,1H3,(H2,23,26,29,34)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Tachykinin receptor 1 in rabbit whole brain membranes using [3H][Sar9Met(O2)]-SP binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)		BDBM50097734
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)c1ccc(NC(=[SH+])[N-]Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C24H22N6O6S2/c31-23(32)15-5-7-17(8-6-15)27-24(37)29-28-21-10-9-18(13-22(21)30(33)34)38(35,36)26-12-11-16-14-25-20-4-2-1-3-19(16)20/h1-10,13-14,25-26,28H,11-12H2,(H3,27,29,31,32,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)		BDBM50097723
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)CCCNS(=O)(=O)c1ccc(N[N-]C(=[SH+])NCCc2c[nH]c3ccccc23)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H24N6O6S2/c28-20(29)6-3-10-24-35(32,33)15-7-8-18(19(12-15)27(30)31)25-26-21(34)22-11-9-14-13-23-17-5-2-1-4-16(14)17/h1-2,4-5,7-8,12-13,23-25H,3,6,9-11H2,(H3,22,26,28,29,34)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
Substance-P receptor


(Rattus norvegicus (rat))		BDBM50097733
PNG
((S)-1-[N'-(2-Nitro-phenyl)-hydrazinothiocarbonyl]-...)
Show SMILES [O-][N+](=O)c1ccccc1N[N-]C(=[SH+])N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H25N5O3S/c31-24(26-23(18-10-3-1-4-11-18)19-12-5-2-6-13-19)22-16-9-17-29(22)25(34)28-27-20-14-7-8-15-21(20)30(32)33/h1-8,10-15,22-23,27H,9,16-17H2,(H2,26,28,31,34)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Tachykinin receptor 1 in rat whole forebrain membranes using [3H][Sar9Met(O2)]-SP binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)		BDBM50097730
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N[N-]C(=[SH+])NCCc2c[nH]c3ccccc23)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C28H30N6O6S2/c35-27(36)11-6-16-33(19-20-7-2-1-3-8-20)42(39,40)22-12-13-25(26(17-22)34(37)38)31-32-28(41)29-15-14-21-18-30-24-10-5-4-9-23(21)24/h1-5,7-10,12-13,17-18,30-31H,6,11,14-16,19H2,(H3,29,32,35,36,41)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)		BDBM50097737
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)c1cccc(NC(=[SH+])[N-]Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NCCc2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C24H22N6O6S2/c31-23(32)15-4-3-5-17(12-15)27-24(37)29-28-21-9-8-18(13-22(21)30(33)34)38(35,36)26-11-10-16-14-25-20-7-2-1-6-19(16)20/h1-9,12-14,25-26,28H,10-11H2,(H3,27,29,31,32,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)		BDBM50097732
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(N[N-]C(=[SH+])NCCc2c[nH]c3ccccc23)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C27H28N6O6S2/c34-26(35)13-15-32(18-19-6-2-1-3-7-19)41(38,39)21-10-11-24(25(16-21)33(36)37)30-31-27(40)28-14-12-20-17-29-23-9-5-4-8-22(20)23/h1-11,16-17,29-30H,12-15,18H2,(H3,28,31,34,35,40)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)		BDBM50097727
PNG
((S)-1-{N'-[4-(2-Methylsulfanyl-ethylsulfamoyl)-2-n...)
Show SMILES CSCCNS(=O)(=O)c1ccc(N[N-]C(=[SH+])N2CCCC2C(=O)NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C28H32N6O5S3/c1-41-18-16-29-42(38,39)22-14-15-23(25(19-22)34(36)37)31-32-28(40)33-17-8-13-24(33)27(35)30-26(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-15,19,24,26,29,31H,8,13,16-18H2,1H3,(H2,30,32,35,40)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)		BDBM50097736
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)CNS(=O)(=O)c1ccc(N[N-]C(=[SH+])NCCc2c[nH]c3ccccc23)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H20N6O6S2/c26-18(27)11-22-33(30,31)13-5-6-16(17(9-13)25(28)29)23-24-19(32)20-8-7-12-10-21-15-4-2-1-3-14(12)15/h1-6,9-10,21-23H,7-8,11H2,(H3,20,24,26,27,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)		BDBM50097733
PNG
((S)-1-[N'-(2-Nitro-phenyl)-hydrazinothiocarbonyl]-...)
Show SMILES [O-][N+](=O)c1ccccc1N[N-]C(=[SH+])N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H25N5O3S/c31-24(26-23(18-10-3-1-4-11-18)19-12-5-2-6-13-19)22-16-9-17-29(22)25(34)28-27-20-14-7-8-15-21(20)30(32)33/h1-8,10-15,22-23,27H,9,16-17H2,(H2,26,28,31,34)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)		BDBM50097728
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)c1ccc(NS(=O)(=O)c2ccc(N[N-]C(=[SH+])NCCc3c[nH]c4ccccc34)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C24H22N6O6S2/c31-23(32)15-5-7-17(8-6-15)29-38(35,36)18-9-10-21(22(13-18)30(33)34)27-28-24(37)25-12-11-16-14-26-20-4-2-1-3-19(16)20/h1-10,13-14,26-27,29H,11-12H2,(H3,25,28,31,32,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)		BDBM50097729
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)CCNS(=O)(=O)c1ccc(N[N-]C(=[SH+])NCCc2c[nH]c3ccccc23)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H22N6O6S2/c27-19(28)8-10-23-34(31,32)14-5-6-17(18(11-14)26(29)30)24-25-20(33)21-9-7-13-12-22-16-4-2-1-3-15(13)16/h1-6,11-12,22-24H,7-10H2,(H3,21,25,27,28,33)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)		BDBM50097725
PNG
(1-(2-nitrophenyl)thiosemicarbazide analogue | CHEM...)
Show SMILES OC(=O)CN(CCCc1ccccc1)S(=O)(=O)c1ccc(N[N-]C(=[SH+])NCCc2c[nH]c3ccccc23)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C28H30N6O6S2/c35-27(36)19-33(16-6-9-20-7-2-1-3-8-20)42(39,40)22-12-13-25(26(17-22)34(37)38)31-32-28(41)29-15-14-21-18-30-24-11-5-4-10-23(21)24/h1-5,7-8,10-13,17-18,30-31H,6,9,14-16,19H2,(H3,29,32,35,36,41)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
B2 bradykinin receptor


(RAT)		BDBM50097727
PNG
((S)-1-{N'-[4-(2-Methylsulfanyl-ethylsulfamoyl)-2-n...)
Show SMILES CSCCNS(=O)(=O)c1ccc(N[N-]C(=[SH+])N2CCCC2C(=O)NC(c2ccccc2)c2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C28H32N6O5S3/c1-41-18-16-29-42(38,39)22-14-15-23(25(19-22)34(36)37)31-32-28(40)33-17-8-13-24(33)27(35)30-26(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-15,19,24,26,29,31H,8,13,16-18H2,1H3,(H2,30,32,35,40)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity against Bradykinin receptor B2 in rat NG 108-15 neuroblastoma-glioma hybrid cell membranes using [3H]BK binding assay

Bioorg Med Chem Lett 11: 705-9 (2001)


BindingDB Entry DOI: 10.7270/Q22V2GNX
More data for this
Ligand-Target Pair
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