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Compile Data Set for Download or QSAR

Found 182 hits with Last Name = 'leclerc' and Initial = 'g'   
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
Type-1 angiotensin II receptor A


(RAT)		BDBM50082568
PNG
(2-({3-[4-(2-Azido-benzenesulfonylaminocarbonyl)-be...)
Show SMILES CCCCc1ncc(CNc2ccccc2C(O)=O)n1Cc1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1N=[N+]=[N-]
Show InChI InChI=1S/C29H29N7O5S/c1-2-3-12-27-32-18-22(17-31-24-9-5-4-8-23(24)29(38)39)36(27)19-20-13-15-21(16-14-20)28(37)34-42(40,41)26-11-7-6-10-25(26)33-35-30/h4-11,13-16,18,31H,2-3,12,17,19H2,1H3,(H,34,37)(H,38,39)
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 1.5n/an/an/an/an/an/an/an/a



Laboratoires Fournier S.A.

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of [125I]-Sar-AII binding to Angiotensin II receptor, type 1 from purified rat liver membranes.

J Med Chem 42: 4572-83 (1999)


BindingDB Entry DOI: 10.7270/Q2XW4J1J
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A


(RAT)		BDBM50082567
PNG
(2-({2-Butyl-3-[4-(2-chloro-benzenesulfonylaminocar...)
Show SMILES CCCCc1ncc(CNc2ccccc2C(O)=O)n1Cc1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1Cl
Show InChI InChI=1S/C29H29ClN4O5S/c1-2-3-12-27-32-18-22(17-31-25-10-6-4-8-23(25)29(36)37)34(27)19-20-13-15-21(16-14-20)28(35)33-40(38,39)26-11-7-5-9-24(26)30/h4-11,13-16,18,31H,2-3,12,17,19H2,1H3,(H,33,35)(H,36,37)
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 2.5n/an/an/an/an/an/an/an/a



Laboratoires Fournier S.A.

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of [125I]-Sar-AII binding to Angiotensin II receptor, type 1 from purified rat liver membranes.

J Med Chem 42: 4572-83 (1999)


BindingDB Entry DOI: 10.7270/Q2XW4J1J
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A


(RAT)		BDBM50082570
PNG
(2-[2-butyl-1-(4-carboxybenzyl)-1H-5-imidazolylmeth...)
Show SMILES CCCCc1ncc(CNc2ccccc2C(O)=O)n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H25N3O4/c1-2-3-8-21-25-14-18(13-24-20-7-5-4-6-19(20)23(29)30)26(21)15-16-9-11-17(12-10-16)22(27)28/h4-7,9-12,14,24H,2-3,8,13,15H2,1H3,(H,27,28)(H,29,30)
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 12.1n/an/an/an/an/an/an/an/a



Laboratoires Fournier S.A.

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of [125I]-Sar-AII binding to Angiotensin II receptor, type 1 from purified rat liver membranes.

J Med Chem 42: 4572-83 (1999)


BindingDB Entry DOI: 10.7270/Q2XW4J1J
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A


(RAT)		BDBM50082569
PNG
(4-Azido-2-{[2-butyl-3-(4-carboxy-benzyl)-3H-imidaz...)
Show SMILES CCCCc1ncc(CNc2cc(ccc2C(O)=O)N=[N+]=[N-])n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H24N6O4/c1-2-3-4-21-26-13-18(29(21)14-15-5-7-16(8-6-15)22(30)31)12-25-20-11-17(27-28-24)9-10-19(20)23(32)33/h5-11,13,25H,2-4,12,14H2,1H3,(H,30,31)(H,32,33)
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 22n/an/an/an/an/an/an/an/a



Laboratoires Fournier S.A.

Curated by ChEMBL


Assay Description
The compound was evaluated for the inhibition of [125I]-Sar-AII binding to Angiotensin II receptor, type 1 from purified rat liver membranes.

J Med Chem 42: 4572-83 (1999)


BindingDB Entry DOI: 10.7270/Q2XW4J1J
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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n/an/a 0.600n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-1-adrenolytic activity was assessed from the ability to inhibit [3H]prazosin binding to rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50009777
PNG
((ponalrestat)[3-(4-Bromo-2-fluoro-benzyl)-4-oxo-3,...)
Show SMILES OC(=O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12
Show InChI InChI=1S/C17H12BrFN2O3/c18-11-6-5-10(14(19)7-11)9-21-17(24)13-4-2-1-3-12(13)15(20-21)8-16(22)23/h1-7H,8-9H2,(H,22,23)
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n/an/a 7n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.

J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50068078
PNG
(CHEMBL142239 | {5-[1-(1-Methoxy-naphthalen-2-yl)-m...)
Show SMILES COc1c(\C=C2/SC(=S)N(CC(O)=O)C2=O)ccc2ccccc12
Show InChI InChI=1S/C17H13NO4S2/c1-22-15-11(7-6-10-4-2-3-5-12(10)15)8-13-16(21)18(9-14(19)20)17(23)24-13/h2-8H,9H2,1H3,(H,19,20)/b13-8-
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n/an/a 9n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.

J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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n/an/a 9.10n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-2 adrenergic receptor activity was assessed from the ability to inhibit [3H]yohimbine binding to rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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n/an/a 10n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-2 adrenergic receptor activity was assessed from the ability to inhibit [3H]yohimbine binding to rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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n/an/a 10n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-1-adrenolytic activity was assessed from the ability to inhibit [3H]prazosin binding to rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50068085
PNG
(CHEMBL358284 | {5-[1-(1-Bromo-naphthalen-2-yl)-met...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc3ccccc3c2Br)C1=O
Show InChI InChI=1S/C16H10BrNO3S2/c17-14-10(6-5-9-3-1-2-4-11(9)14)7-12-15(21)18(8-13(19)20)16(22)23-12/h1-7H,8H2,(H,19,20)/b12-7-
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n/an/a 11n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.

J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50068083
PNG
(CHEMBL358825 | {5-[1-(3-Bromo-naphthalen-2-yl)-met...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2cc3ccccc3cc2Br)C1=O
Show InChI InChI=1S/C16H10BrNO3S2/c17-12-6-10-4-2-1-3-9(10)5-11(12)7-13-15(21)18(8-14(19)20)16(22)23-13/h1-7H,8H2,(H,19,20)/b13-7-
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n/an/a 15n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.

J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50068086
PNG
(CHEMBL142701 | {5-[1-(3-Methoxy-naphthalen-2-yl)-m...)
Show SMILES COc1cc2ccccc2cc1\C=C1/SC(=S)N(CC(O)=O)C1=O
Show InChI InChI=1S/C17H13NO4S2/c1-22-13-7-11-5-3-2-4-10(11)6-12(13)8-14-16(21)18(9-15(19)20)17(23)24-14/h2-8H,9H2,1H3,(H,19,20)/b14-8-
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n/an/a 20n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.

J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50228240
PNG
(CHEMBL284056)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCCN2CCC(CC2)n2c(O)nc3ccccc23)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:33,t:30|
Show InChI InChI=1S/C30H33N5O7/c1-18-25(28(36)41-3)27(20-7-6-8-22(17-20)35(39)40)26(19(2)31-18)29(37)42-16-15-33-13-11-21(12-14-33)34-24-10-5-4-9-23(24)32-30(34)38/h4-10,17,21,27,36H,11-16H2,1-3H3,(H,32,38)/b28-25+
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n/an/a 41n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-1-adrenolytic activity was assessed from the ability to inhibit [3H]prazosin binding to rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50068074
PNG
(CHEMBL142001 | {5-[1-(3-Chloro-naphthalen-2-yl)-me...)
Show SMILES OC(=O)CN1C(=O)S\C(=C/c2cc3ccccc3cc2Cl)C1=O
Show InChI InChI=1S/C16H10ClNO4S/c17-12-6-10-4-2-1-3-9(10)5-11(12)7-13-15(21)18(8-14(19)20)16(22)23-13/h1-7H,8H2,(H,19,20)/b13-7-
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n/an/a 48n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.

J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50068075
PNG
(CHEMBL336874 | {5-[1-(1-Bromo-naphthalen-2-yl)-met...)
Show SMILES OC(=O)CN1C(=O)S\C(=C/c2ccc3ccccc3c2Br)C1=O
Show InChI InChI=1S/C16H10BrNO4S/c17-14-10(6-5-9-3-1-2-4-11(9)14)7-12-15(21)18(8-13(19)20)16(22)23-12/h1-7H,8H2,(H,19,20)/b12-7-
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n/an/a 51n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.

J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50068073
PNG
(CHEMBL143658 | {5-[1-(6-Methoxy-naphthalen-2-yl)-m...)
Show SMILES COc1ccc2cc(\C=C3/SC(=S)N(CC(O)=O)C3=O)ccc2c1
Show InChI InChI=1S/C17H13NO4S2/c1-22-13-5-4-11-6-10(2-3-12(11)8-13)7-14-16(21)18(9-15(19)20)17(23)24-14/h2-8H,9H2,1H3,(H,19,20)/b14-7-
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n/an/a 67n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.

J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50068076
PNG
(CHEMBL143933 | {5-[1-(1-Nitro-naphthalen-2-yl)-met...)
Show SMILES OC(=O)Cn1c([O-])c([CH+]c2ccc3ccccc3c2[N+]([O-])=O)sc1=S
Show InChI InChI=1S/C16H10N2O5S2/c19-13(20)8-17-15(21)12(25-16(17)24)7-10-6-5-9-3-1-2-4-11(9)14(10)18(22)23/h1-7H,8H2,(H-,19,20,21)
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n/an/a 79n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.

J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50068080
PNG
(CHEMBL142615 | {5-[1-Naphthalen-2-yl-meth-(Z)-ylid...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc3ccccc3c2)C1=O
Show InChI InChI=1S/C16H11NO3S2/c18-14(19)9-17-15(20)13(22-16(17)21)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-8H,9H2,(H,18,19)/b13-8-
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n/an/a 96n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.

J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50068084
PNG
(CHEMBL142869 | {5-[1-(6-Methoxy-naphthalen-2-yl)-m...)
Show SMILES COc1ccc2cc(\C=C3/SC(=O)N(CC(O)=O)C3=O)ccc2c1
Show InChI InChI=1S/C17H13NO5S/c1-23-13-5-4-11-6-10(2-3-12(11)8-13)7-14-16(21)18(9-15(19)20)17(22)24-14/h2-8H,9H2,1H3,(H,19,20)/b14-7-
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n/an/a 101n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.

J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50068081
PNG
(CHEMBL142390 | {5-[1-(3-Methoxy-naphthalen-2-yl)-m...)
Show SMILES COc1cc2ccccc2cc1\C=C1/SC(=O)N(CC(O)=O)C1=O
Show InChI InChI=1S/C17H13NO5S/c1-23-13-7-11-5-3-2-4-10(11)6-12(13)8-14-16(21)18(9-15(19)20)17(22)24-14/h2-8H,9H2,1H3,(H,19,20)/b14-8-
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n/an/a 128n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.

J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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n/an/a 140n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-2 adrenergic receptor activity was assessed from the ability to inhibit [3H]yohimbine binding to rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50068077
PNG
(CHEMBL139720 | {5-[1-(1-Methoxy-naphthalen-2-yl)-m...)
Show SMILES COc1c(\C=C2/SC(=O)N(CC(O)=O)C2=O)ccc2ccccc12
Show InChI InChI=1S/C17H13NO5S/c1-23-15-11(7-6-10-4-2-3-5-12(10)15)8-13-16(21)18(9-14(19)20)17(22)24-13/h2-8H,9H2,1H3,(H,19,20)/b13-8-
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EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.

J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50068082
PNG
(CHEMBL345945 | {5-[1-(3-Bromo-naphthalen-2-yl)-met...)
Show SMILES OC(=O)CN1C(=O)S\C(=C/c2cc3ccccc3cc2Br)C1=O
Show InChI InChI=1S/C16H10BrNO4S/c17-12-6-10-4-2-1-3-9(10)5-11(12)7-13-15(21)18(8-14(19)20)16(22)23-13/h1-7H,8H2,(H,19,20)/b13-7-
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n/an/a 153n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.

J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50228236
PNG
(CHEMBL3350238)
Show SMILES Cl.COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)C[C@H]1COc2ccccc2O1 |r,c:4,9|
Show InChI InChI=1S/C28H31N3O8.ClH/c1-17-24(27(32)36-4)26(19-8-7-9-20(14-19)31(34)35)25(18(2)29-17)28(33)37-13-12-30(3)15-21-16-38-22-10-5-6-11-23(22)39-21;/h5-11,14,21,26,29H,12-13,15-16H2,1-4H3;1H/t21-,26+;/m0./s1
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n/an/a 210n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-2-adrenolytic activity was assessed from the ability to inhibit [3H]yohimbine binding to rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50068079
PNG
(CHEMBL142385 | {5-[1-Naphthalen-2-yl-meth-(Z)-ylid...)
Show SMILES OC(=O)CN1C(=O)S\C(=C/c2ccc3ccccc3c2)C1=O
Show InChI InChI=1S/C16H11NO4S/c18-14(19)9-17-15(20)13(22-16(17)21)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-8H,9H2,(H,18,19)/b13-8-
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n/an/a 269n/an/an/an/an/an/a



EP811-CNRS

Curated by ChEMBL


Assay Description
Evaluated in vitro for the inhibition of Aldose reductase.

J Med Chem 41: 4706-15 (1998)


Article DOI: 10.1021/jm9801399
BindingDB Entry DOI: 10.7270/Q2JQ1040
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50228238
PNG
(CHEMBL30911)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCCN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:29,t:26|
Show InChI InChI=1S/C28H31N3O8/c1-17-24(27(32)36-4)26(20-9-5-6-10-21(20)31(34)35)25(18(2)29-17)28(33)37-14-13-30(3)15-19-16-38-22-11-7-8-12-23(22)39-19/h5-12,19,26,32H,13-16H2,1-4H3/b27-24+
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n/an/a 270n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]yohimbine binding to alpha-2 adrenergic receptor of rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50228238
PNG
(CHEMBL30911)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCCN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:29,t:26|
Show InChI InChI=1S/C28H31N3O8/c1-17-24(27(32)36-4)26(20-9-5-6-10-21(20)31(34)35)25(18(2)29-17)28(33)37-14-13-30(3)15-19-16-38-22-11-7-8-12-23(22)39-19/h5-12,19,26,32H,13-16H2,1-4H3/b27-24+
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n/an/a 300n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-1-adrenolytic activity was assessed from the ability to inhibit [3H]prazosin binding to rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50228242
PNG
(CHEMBL542812)
Show SMILES Cl.CO\C(O)=C1\C(C(C(=O)OCCN(C)C(C)COc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:27,t:24|
Show InChI InChI=1S/C28H33N3O7.ClH/c1-18(17-38-23-12-7-6-8-13-23)30(4)14-15-37-28(33)25-20(3)29-19(2)24(27(32)36-5)26(25)21-10-9-11-22(16-21)31(34)35;/h6-13,16,18,26,32H,14-15,17H2,1-5H3;1H/b27-24+;
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n/an/a 380n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-1-adrenolytic activity was assessed from the ability to inhibit [3H]prazosin binding to rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50228244
PNG
(CHEMBL553942)
Show SMILES Cl.CO\C(O)=C1\C(C(C(=O)OC(C)CN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:30,t:27|
Show InChI InChI=1S/C29H33N3O8.ClH/c1-17(14-31(4)15-22-16-38-23-11-6-7-12-24(23)40-22)39-29(34)26-19(3)30-18(2)25(28(33)37-5)27(26)20-9-8-10-21(13-20)32(35)36;/h6-13,17,22,27,33H,14-16H2,1-5H3;1H/b28-25+;
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Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]yohimbine binding to alpha-2 adrenergic receptor of rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50228237
PNG
(CHEMBL554455)
Show SMILES Cl.CO\C(O)=C1\C(C(C(=O)OCCN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:29,t:26|
Show InChI InChI=1S/C28H31N3O8.ClH/c1-17-24(27(32)36-4)26(19-8-7-9-20(14-19)31(34)35)25(18(2)29-17)28(33)37-13-12-30(3)15-21-16-38-22-10-5-6-11-23(22)39-21;/h5-11,14,21,26,32H,12-13,15-16H2,1-4H3;1H/b27-24+;
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n/an/a 480n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]yohimbine binding to alpha-2 adrenergic receptor of rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50228242
PNG
(CHEMBL542812)
Show SMILES Cl.CO\C(O)=C1\C(C(C(=O)OCCN(C)C(C)COc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:27,t:24|
Show InChI InChI=1S/C28H33N3O7.ClH/c1-18(17-38-23-12-7-6-8-13-23)30(4)14-15-37-28(33)25-20(3)29-19(2)24(27(32)36-5)26(25)21-10-9-11-22(16-21)31(34)35;/h6-13,16,18,26,32H,14-15,17H2,1-5H3;1H/b27-24+;
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n/an/a 480n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]yohimbine binding to alpha-2 adrenergic receptor of rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50228237
PNG
(CHEMBL554455)
Show SMILES Cl.CO\C(O)=C1\C(C(C(=O)OCCN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:29,t:26|
Show InChI InChI=1S/C28H31N3O8.ClH/c1-17-24(27(32)36-4)26(19-8-7-9-20(14-19)31(34)35)25(18(2)29-17)28(33)37-13-12-30(3)15-21-16-38-22-10-5-6-11-23(22)39-21;/h5-11,14,21,26,32H,12-13,15-16H2,1-4H3;1H/b27-24+;
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n/an/a 500n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-1-adrenolytic activity was assessed from the ability to inhibit [3H]prazosin binding to rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50228241
PNG
(CHEMBL540511)
Show SMILES Cl.CC(C)O\C(O)=C1\C(C(C(=O)OCCN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:31,t:28|
Show InChI InChI=1S/C30H35N3O8.ClH/c1-18(2)40-30(35)27-20(4)31-19(3)26(28(27)21-9-8-10-22(15-21)33(36)37)29(34)38-14-13-32(5)16-23-17-39-24-11-6-7-12-25(24)41-23;/h6-12,15,18,23,28,35H,13-14,16-17H2,1-5H3;1H/b30-27+;
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n/an/a 830n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-2-adrenolytic activity was assessed from the ability to inhibit [3H]yohimbine binding to rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50228244
PNG
(CHEMBL553942)
Show SMILES Cl.CO\C(O)=C1\C(C(C(=O)OC(C)CN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:30,t:27|
Show InChI InChI=1S/C29H33N3O8.ClH/c1-17(14-31(4)15-22-16-38-23-11-6-7-12-24(23)40-22)39-29(34)26-19(3)30-18(2)25(28(33)37-5)27(26)20-9-8-10-21(13-20)32(35)36;/h6-13,17,22,27,33H,14-16H2,1-5H3;1H/b28-25+;
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n/an/a 1.00E+3n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-1-adrenolytic activity was assessed from the ability to inhibit [3H]prazosin binding to rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-1-adrenolytic activity was assessed from the ability to inhibit [3H]prazosin binding to rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50228238
PNG
(CHEMBL30911)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCCN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:29,t:26|
Show InChI InChI=1S/C28H31N3O8/c1-17-24(27(32)36-4)26(20-9-5-6-10-21(20)31(34)35)25(18(2)29-17)28(33)37-14-13-30(3)15-19-16-38-22-11-7-8-12-23(22)39-19/h5-12,19,26,32H,13-16H2,1-4H3/b27-24+
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n/an/a>1.00E+3n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
In vitro ability to inhibit norepinephrine binding to alpha-2 adrenergic receptor of guinea pig vas deferens

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50228237
PNG
(CHEMBL554455)
Show SMILES Cl.CO\C(O)=C1\C(C(C(=O)OCCN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:29,t:26|
Show InChI InChI=1S/C28H31N3O8.ClH/c1-17-24(27(32)36-4)26(19-8-7-9-20(14-19)31(34)35)25(18(2)29-17)28(33)37-13-12-30(3)15-21-16-38-22-10-5-6-11-23(22)39-21;/h5-11,14,21,26,32H,12-13,15-16H2,1-4H3;1H/b27-24+;
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n/an/a>1.00E+3n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
In vitro ability to inhibit norepinephrine binding to alpha-2 adrenergic receptor of guinea pig vas deferens

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50228241
PNG
(CHEMBL540511)
Show SMILES Cl.CC(C)O\C(O)=C1\C(C(C(=O)OCCN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:31,t:28|
Show InChI InChI=1S/C30H35N3O8.ClH/c1-18(2)40-30(35)27-20(4)31-19(3)26(28(27)21-9-8-10-22(15-21)33(36)37)29(34)38-14-13-32(5)16-23-17-39-24-11-6-7-12-25(24)41-23;/h6-12,15,18,23,28,35H,13-14,16-17H2,1-5H3;1H/b30-27+;
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n/an/a>1.00E+3n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-2-adrenolytic activity was assessed in vitro from the ability to inhibit norepinephrine binding to guinea pig vas deferens

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50101815
PNG
(CHEBI:7550 | Nicardipine)
Show SMILES COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)Cc1ccccc1 |c:4,9|
Show InChI InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-2-adrenolytic activity was assessed from the ability to inhibit [3H]yohimbine binding to rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50064234
PNG
(CHEMBL41628 | Dicyclopropyl-methanone O-(3-{2-[4-(...)
Show SMILES CC(C)(Cc1ccc(NCC(O)CON=C(C2CC2)C2CC2)cc1)NCC(O)CON=C(C1CC1)C1CC1
Show InChI InChI=1S/C30H46N4O4/c1-30(2,32-17-27(36)19-38-34-29(23-9-10-23)24-11-12-24)15-20-3-13-25(14-4-20)31-16-26(35)18-37-33-28(21-5-6-21)22-7-8-22/h3-4,13-14,21-24,26-27,31-32,35-36H,5-12,15-19H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates

J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50228240
PNG
(CHEMBL284056)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCCN2CCC(CC2)n2c(O)nc3ccccc23)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:33,t:30|
Show InChI InChI=1S/C30H33N5O7/c1-18-25(28(36)41-3)27(20-7-6-8-22(17-20)35(39)40)26(19(2)31-18)29(37)42-16-15-33-13-11-21(12-14-33)34-24-10-5-4-9-23(24)32-30(34)38/h4-10,17,21,27,36H,11-16H2,1-3H3,(H,32,38)/b28-25+
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n/an/a 1.60E+3n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]yohimbine binding to alpha-2 adrenergic receptor of rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50228236
PNG
(CHEMBL3350238)
Show SMILES Cl.COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)C[C@H]1COc2ccccc2O1 |r,c:4,9|
Show InChI InChI=1S/C28H31N3O8.ClH/c1-17-24(27(32)36-4)26(19-8-7-9-20(14-19)31(34)35)25(18(2)29-17)28(33)37-13-12-30(3)15-21-16-38-22-10-5-6-11-23(22)39-21;/h5-11,14,21,26,29H,12-13,15-16H2,1-4H3;1H/t21-,26+;/m0./s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-1-adrenolytic activity was assessed from the ability to inhibit [3H]prazosin binding to rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50228236
PNG
(CHEMBL3350238)
Show SMILES Cl.COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)C[C@H]1COc2ccccc2O1 |r,c:4,9|
Show InChI InChI=1S/C28H31N3O8.ClH/c1-17-24(27(32)36-4)26(19-8-7-9-20(14-19)31(34)35)25(18(2)29-17)28(33)37-13-12-30(3)15-21-16-38-22-10-5-6-11-23(22)39-21;/h5-11,14,21,26,29H,12-13,15-16H2,1-4H3;1H/t21-,26+;/m0./s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-1-adrenolytic activity was assessed from the ability to inhibit [3H]prazosin binding to rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50228236
PNG
(CHEMBL3350238)
Show SMILES Cl.COC(=O)C1=C(C)NC(C)=C([C@@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)C[C@H]1COc2ccccc2O1 |r,c:4,9|
Show InChI InChI=1S/C28H31N3O8.ClH/c1-17-24(27(32)36-4)26(19-8-7-9-20(14-19)31(34)35)25(18(2)29-17)28(33)37-13-12-30(3)15-21-16-38-22-10-5-6-11-23(22)39-21;/h5-11,14,21,26,29H,12-13,15-16H2,1-4H3;1H/t21-,26+;/m0./s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-1-adrenolytic activity was assessed from the ability to inhibit [3H]prazosin binding to rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50228243
PNG
(CHEMBL542814)
Show SMILES Cl.CC(C)O\C(O)=C1\C(C(C(=O)OC(C)CN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:32,t:29|
Show InChI InChI=1S/C31H37N3O8.ClH/c1-18(2)40-30(35)27-20(4)32-21(5)28(29(27)22-10-9-11-23(14-22)34(37)38)31(36)41-19(3)15-33(6)16-24-17-39-25-12-7-8-13-26(25)42-24;/h7-14,18-19,24,29,35H,15-17H2,1-6H3;1H/b30-27+;
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n/an/a 2.00E+3n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-2-adrenolytic activity was assessed from the ability to inhibit [3H]yohimbine binding to rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50228239
PNG
(CHEMBL2093965)
Show SMILES Cl.CO\C(O)=C1\[C@@H](C(C(=O)OCCN(C)C[C@@H]2COc3ccccc3O2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |r,c:29,t:26|
Show InChI InChI=1S/C28H31N3O8.ClH/c1-17-24(27(32)36-4)26(19-8-7-9-20(14-19)31(34)35)25(18(2)29-17)28(33)37-13-12-30(3)15-21-16-38-22-10-5-6-11-23(22)39-21;/h5-11,14,21,26,32H,12-13,15-16H2,1-4H3;1H/b27-24+;/t21-,26+;/m1./s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-1-adrenolytic activity was assessed from the ability to inhibit [3H]prazosin binding to rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)		BDBM50064233
PNG
(CHEMBL41149 | Dicyclopropyl-methanone O-{3-[2-(4-a...)
Show SMILES CC(C)(Cc1ccc(N)cc1)NCC(O)CON=C(C1CC1)C1CC1
Show InChI InChI=1S/C20H31N3O2/c1-20(2,11-14-3-9-17(21)10-4-14)22-12-18(24)13-25-23-19(15-5-6-15)16-7-8-16/h3-4,9-10,15-16,18,22,24H,5-8,11-13,21H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Grenoble

Curated by ChEMBL


Assay Description
Inhibition of beta-2 adrenergic receptor isolated from rat lung homogenates

J Med Chem 41: 1613-8 (1998)


Article DOI: 10.1021/jm970338c
BindingDB Entry DOI: 10.7270/Q2416W5G
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50228241
PNG
(CHEMBL540511)
Show SMILES Cl.CC(C)O\C(O)=C1\C(C(C(=O)OCCN(C)CC2COc3ccccc3O2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:31,t:28|
Show InChI InChI=1S/C30H35N3O8.ClH/c1-18(2)40-30(35)27-20(4)31-19(3)26(28(27)21-9-8-10-22(15-21)33(36)37)29(34)38-14-13-32(5)16-23-17-39-24-11-6-7-12-25(24)41-23;/h6-12,15,18,23,28,35H,13-14,16-17H2,1-5H3;1H/b30-27+;
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n/an/a 3.50E+3n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-1-adrenolytic activity was assessed from the ability to inhibit [3H]prazosin binding to rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))		BDBM50101815
PNG
(CHEBI:7550 | Nicardipine)
Show SMILES COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)Cc1ccccc1 |c:4,9|
Show InChI InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



Institut de Pharmacologie (UA 589 CNRS)

Curated by ChEMBL


Assay Description
Alpha-1-adrenolytic activity was assessed from the ability to inhibit [3H]prazosin binding to rat cerebral cortex preparation

J Med Chem 32: 1402-7 (1989)


BindingDB Entry DOI: 10.7270/Q2SQ92M9
More data for this
Ligand-Target Pair
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