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PubMed code 3973899

Compile data set for download or QSAR
Found 23 hits of Enzyme Inhibition Constant Data   
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
Histamine H2 receptor


(RAT)		BDBM50026279
PNG
(3-{2-[2-(2-tert-Butoxycarbonylamino-propionylamino...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C29H42N6O8/c1-15(2)11-21(26(40)33-20(24(30)38)13-23(36)37)35-27(41)22(12-17-14-31-19-10-8-7-9-18(17)19)34-25(39)16(3)32-28(42)43-29(4,5)6/h7-10,14-16,20-22,31H,11-13H2,1-6H3,(H2,30,38)(H,32,42)(H,33,40)(H,34,39)(H,35,41)(H,36,37)/t16-,20-,21-,22-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro

J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)		BDBM50026297
PNG
(4-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(O)=O)C(N)=O
Show InChI InChI=1S/C27H39N5O7/c1-15(2)12-20(24(36)30-19(23(28)35)10-11-22(33)34)31-25(37)21(32-26(38)39-27(3,4)5)13-16-14-29-18-9-7-6-8-17(16)18/h6-9,14-15,19-21,29H,10-13H2,1-5H3,(H2,28,35)(H,30,36)(H,31,37)(H,32,38)(H,33,34)/t19-,20-,21-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro

J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)		BDBM50026288
PNG
(3-{2-[2-(2-tert-Butoxycarbonylamino-propionylamino...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C28H40N6O8S/c1-15(31-27(41)42-28(2,3)4)24(38)34-21(12-16-14-30-18-9-7-6-8-17(16)18)26(40)32-19(10-11-43-5)25(39)33-20(23(29)37)13-22(35)36/h6-9,14-15,19-21,30H,10-13H2,1-5H3,(H2,29,37)(H,31,41)(H,32,40)(H,33,39)(H,34,38)(H,35,36)/t15-,19-,20-,21-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro

J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)		BDBM50026298
PNG
(3-{2-[2-(2-tert-Butoxycarbonylamino-acetylamino)-3...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C27H38N6O8S/c1-27(2,3)41-26(40)30-14-21(34)31-20(11-15-13-29-17-8-6-5-7-16(15)17)25(39)32-18(9-10-42-4)24(38)33-19(23(28)37)12-22(35)36/h5-8,13,18-20,29H,9-12,14H2,1-4H3,(H2,28,37)(H,30,40)(H,31,34)(H,32,39)(H,33,38)(H,35,36)/t18-,19-,20-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro

J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)		BDBM50026284
PNG
(2-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C26H36N4O8/c1-14(2)10-18(22(33)29-20(24(35)36)12-21(31)32)28-23(34)19(30-25(37)38-26(3,4)5)11-15-13-27-17-9-7-6-8-16(15)17/h6-9,13-14,18-20,27H,10-12H2,1-5H3,(H,28,34)(H,29,33)(H,30,37)(H,31,32)(H,35,36)/t18-,19-,20-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro

J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)		BDBM50026282
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C29H35N5O7/c1-29(2,3)41-28(40)34-23(14-18-16-31-20-12-8-7-11-19(18)20)27(39)33-22(13-17-9-5-4-6-10-17)26(38)32-21(25(30)37)15-24(35)36/h4-12,16,21-23,31H,13-15H2,1-3H3,(H2,30,37)(H,32,38)(H,33,39)(H,34,40)(H,35,36)/t21-,22-,23-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro

J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)		BDBM50026299
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C25H35N5O7S/c1-25(2,3)37-24(36)30-19(11-14-13-27-16-8-6-5-7-15(14)16)23(35)28-17(9-10-38-4)22(34)29-18(21(26)33)12-20(31)32/h5-8,13,17-19,27H,9-12H2,1-4H3,(H2,26,33)(H,28,35)(H,29,34)(H,30,36)(H,31,32)/t17-,18-,19-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro

J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)		BDBM50026283
PNG
(1-(2-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCCC[C@H]1C(O)=O
Show InChI InChI=1S/C32H45N5O9/c1-18(2)14-22(27(40)35-24(16-26(38)39)29(42)37-13-9-8-12-25(37)30(43)44)34-28(41)23(36-31(45)46-32(3,4)5)15-19-17-33-21-11-7-6-10-20(19)21/h6-7,10-11,17-18,22-25,33H,8-9,12-16H2,1-5H3,(H,34,41)(H,35,40)(H,36,45)(H,38,39)(H,43,44)/t22-,23-,24-,25-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro

J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)		BDBM50026286
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C26H37N5O7/c1-5-6-10-18(23(35)30-19(22(27)34)13-21(32)33)29-24(36)20(31-25(37)38-26(2,3)4)12-15-14-28-17-11-8-7-9-16(15)17/h7-9,11,14,18-20,28H,5-6,10,12-13H2,1-4H3,(H2,27,34)(H,29,36)(H,30,35)(H,31,37)(H,32,33)/t18-,19-,20-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro

J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)		BDBM50026291
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C26H37N5O7/c1-14(2)10-19(23(35)29-18(22(27)34)12-21(32)33)30-24(36)20(31-25(37)38-26(3,4)5)11-15-13-28-17-9-7-6-8-16(15)17/h6-9,13-14,18-20,28H,10-12H2,1-5H3,(H2,27,34)(H,29,35)(H,30,36)(H,31,37)(H,32,33)/t18-,19+,20+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro

J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)		BDBM50026295
PNG
(3-{2-[2-Benzyloxycarbonylamino-3-(1H-indol-3-yl)-p...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C29H35N5O7/c1-17(2)12-23(27(38)32-22(26(30)37)14-25(35)36)33-28(39)24(13-19-15-31-21-11-7-6-10-20(19)21)34-29(40)41-16-18-8-4-3-5-9-18/h3-11,15,17,22-24,31H,12-14,16H2,1-2H3,(H2,30,37)(H,32,38)(H,33,39)(H,34,40)(H,35,36)/t22-,23-,24-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro

J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)		BDBM50367238
PNG
(CHEMBL1790763)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C26H37N5O7/c1-6-14(2)21(24(36)29-18(22(27)34)12-20(32)33)31-23(35)19(30-25(37)38-26(3,4)5)11-15-13-28-17-10-8-7-9-16(15)17/h7-10,13-14,18-19,21,28H,6,11-12H2,1-5H3,(H2,27,34)(H,29,36)(H,30,37)(H,31,35)(H,32,33)/t14-,18-,19-,21-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro

J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)		BDBM50026296
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)CC(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C26H37N5O7/c1-14(2)10-19(23(35)29-18(22(27)34)12-21(32)33)30-24(36)20(31-25(37)38-26(3,4)5)11-15-13-28-17-9-7-6-8-16(15)17/h6-9,13-14,18-20,28H,10-12H2,1-5H3,(H2,27,34)(H,29,35)(H,30,36)(H,31,37)(H,32,33)/t18-,19?,20-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro

J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)		BDBM50026280
PNG
(2-{2-[2-(2-tert-Butoxycarbonylamino-propionylamino...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1S/C29H42N6O8/c1-15(2)11-20(25(38)35-22(27(40)41)13-23(30)36)34-26(39)21(12-17-14-31-19-10-8-7-9-18(17)19)33-24(37)16(3)32-28(42)43-29(4,5)6/h7-10,14-16,20-22,31H,11-13H2,1-6H3,(H2,30,36)(H,32,42)(H,33,37)(H,34,39)(H,35,38)(H,40,41)/t16-,20-,21-,22-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro

J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)		BDBM50026290
PNG
(3-{2-[2-(2-tert-Butoxycarbonylamino-propionylamino...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C29H42N6O8/c1-6-7-11-20(26(40)34-21(24(30)38)14-23(36)37)33-27(41)22(13-17-15-31-19-12-9-8-10-18(17)19)35-25(39)16(2)32-28(42)43-29(3,4)5/h8-10,12,15-16,20-22,31H,6-7,11,13-14H2,1-5H3,(H2,30,38)(H,32,42)(H,33,41)(H,34,40)(H,35,39)(H,36,37)/t16-,20-,21-,22-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro

J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)		BDBM50026292
PNG
(2-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(O)=O
Show InChI InChI=1S/C26H37N5O7/c1-14(2)10-18(22(33)30-20(24(35)36)12-21(27)32)29-23(34)19(31-25(37)38-26(3,4)5)11-15-13-28-17-9-7-6-8-16(15)17/h6-9,13-14,18-20,28H,10-12H2,1-5H3,(H2,27,32)(H,29,34)(H,30,33)(H,31,37)(H,35,36)/t18-,19-,20-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro

J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)		BDBM50026293
PNG
(3-({1-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C25H33N5O7/c1-25(2,3)37-24(36)29-18(11-14-13-27-16-8-5-4-7-15(14)16)23(35)30-10-6-9-19(30)22(34)28-17(21(26)33)12-20(31)32/h4-5,7-8,13,17-19,27H,6,9-12H2,1-3H3,(H2,26,33)(H,28,34)(H,29,36)(H,31,32)/t17-,18-,19-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro

J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)		BDBM50026281
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N(C)C
Show InChI InChI=1S/C28H41N5O7/c1-16(2)12-20(24(36)31-22(14-23(34)35)26(38)33(6)7)30-25(37)21(32-27(39)40-28(3,4)5)13-17-15-29-19-11-9-8-10-18(17)19/h8-11,15-16,20-22,29H,12-14H2,1-7H3,(H,30,37)(H,31,36)(H,32,39)(H,34,35)/t20-,21-,22-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro

J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)		BDBM50026294
PNG
(CHEMBL329524 | [1-[1-(1-Carbamoyl-ethylcarbamoyl)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C25H37N5O5/c1-14(2)11-19(22(32)28-15(3)21(26)31)29-23(33)20(30-24(34)35-25(4,5)6)12-16-13-27-18-10-8-7-9-17(16)18/h7-10,13-15,19-20,27H,11-12H2,1-6H3,(H2,26,31)(H,28,32)(H,29,33)(H,30,34)/t15-,19-,20-/m0/s1
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n/an/a 1.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro

J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)		BDBM50144035
PNG
((S)-2-(4-Chloro-benzoylamino)-3-(1H-indol-3-yl)-pr...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H15ClN2O3/c19-13-7-5-11(6-8-13)17(22)21-16(18(23)24)9-12-10-20-15-4-2-1-3-14(12)15/h1-8,10,16,20H,9H2,(H,21,22)(H,23,24)/t16-/m0/s1
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n/an/a 2.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro

J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)		BDBM50026285
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C23H31N5O7/c1-12(20(32)27-16(19(24)31)10-18(29)30)26-21(33)17(28-22(34)35-23(2,3)4)9-13-11-25-15-8-6-5-7-14(13)15/h5-8,11-12,16-17,25H,9-10H2,1-4H3,(H2,24,31)(H,26,33)(H,27,32)(H,28,34)(H,29,30)/t12-,16-,17-/m0/s1
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n/an/a 4.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro

J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)		BDBM50026287
PNG
(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C22H29N5O7/c1-22(2,3)34-21(33)27-16(8-12-10-24-14-7-5-4-6-13(12)14)20(32)25-11-17(28)26-15(19(23)31)9-18(29)30/h4-7,10,15-16,24H,8-9,11H2,1-3H3,(H2,23,31)(H,25,32)(H,26,28)(H,27,33)(H,29,30)/t15-,16-/m0/s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro

J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
Histamine H2 receptor


(RAT)		BDBM50014888
PNG
(4-Benzoylamino-4-dipropylcarbamoyl-butyric acid | ...)
Show SMILES CCCN(CCC)C(=O)C(CCC(O)=O)NC(=O)c1ccccc1
Show InChI InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)
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n/an/a 2.50E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro

J Med Chem 28: 273-8 (1985)


BindingDB Entry DOI: 10.7270/Q2ST7QC9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%