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Compile Data Set for Download or QSAR

Found 75 hits with Last Name = 'browne' and Initial = 'lj'   
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
Aromatase


(Homo sapiens (Human))		BDBM10044
PNG
((2S,15S)-15-methyl-2-[(methylsulfanyl)methyl]tetra...)
Show SMILES CSC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21 |r,c:8|
Show InChI InChI=1S/C20H28O2S/c1-19-9-8-17-15(16(19)5-6-18(19)22)4-3-13-11-14(21)7-10-20(13,17)12-23-2/h11,15-17H,3-10,12H2,1-2H3/t15?,16?,17?,19-,20+/m0/s1
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 1n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Aromatase inhibitor potency as iron-binding-related type II difference spectrum

J Med Chem 34: 725-36 (1991)


BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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 1.5n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome cytochrome P450 19A1

J Med Chem 34: 725-36 (1991)


BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9460
PNG
(3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...)
Show SMILES CCC1(CCC(=O)NC1=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
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 470n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Competitive inhibition of human placental Cytochrome P450 19A1

J Med Chem 34: 725-36 (1991)


BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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n/an/a 0.0300n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Aromatase inhibitor potency as iron-binding-related type II difference spectrum

J Med Chem 34: 725-36 (1991)


BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50368174
PNG
(CHEMBL1203762)
Show SMILES N#Cc1ccc(cc1)C1CCc2cncn12
Show InChI InChI=1S/C13H11N3/c14-7-10-1-3-11(4-2-10)13-6-5-12-8-15-9-16(12)13/h1-4,8-9,13H,5-6H2
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n/an/a 2n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1

J Med Chem 34: 725-36 (1991)


BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025953
PNG
(6-Imidazo[1,5-a]pyridin-5-yl-hexanoic acid | CGS-1...)
Show SMILES OC(=O)CCCCCc1cccc2cncn12
Show InChI InChI=1S/C13H16N2O2/c16-13(17)8-3-1-2-5-11-6-4-7-12-9-14-10-15(11)12/h4,6-7,9-10H,1-3,5,8H2,(H,16,17)
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n/an/a 3.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thromboxane A2 synthetase with lysed human platelets as the enzyme source.

J Med Chem 28: 164-70 (1985)


BindingDB Entry DOI: 10.7270/Q22B8ZKX
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50027751
PNG
(1-(4-Carboxy-2-methyl-6-phenyl-hexanoyl)-2,3-dihyd...)
Show SMILES C[C@H](C[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C(Cc2ccccc12)C(O)=O
Show InChI InChI=1S/C23H25NO5/c1-15(13-18(22(26)27)12-11-16-7-3-2-4-8-16)21(25)24-19-10-6-5-9-17(19)14-20(24)23(28)29/h2-10,15,18,20H,11-14H2,1H3,(H,26,27)(H,28,29)/t15-,18-,20?/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme (ACE)

J Med Chem 26: 1277-82 (1983)


BindingDB Entry DOI: 10.7270/Q2571CK4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025970
PNG
(6-Imidazo[1,5-a]pyridin-5-yl-hex-2-enoic acid | CH...)
Show SMILES OC(=O)\C=C\CCCc1cccc2cncn12
Show InChI InChI=1S/C13H14N2O2/c16-13(17)8-3-1-2-5-11-6-4-7-12-9-14-10-15(11)12/h3-4,6-10H,1-2,5H2,(H,16,17)/b8-3+
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n/an/a 4.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane A2 synthetase from human platelets.

J Med Chem 28: 164-70 (1985)


BindingDB Entry DOI: 10.7270/Q22B8ZKX
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025966
PNG
(7-Imidazo[1,5-a]pyridin-5-yl-heptanoic acid | CHEM...)
Show SMILES OC(=O)CCCCCCc1cccc2cncn12
Show InChI InChI=1S/C14H18N2O2/c17-14(18)9-4-2-1-3-6-12-7-5-8-13-10-15-11-16(12)13/h5,7-8,10-11H,1-4,6,9H2,(H,17,18)
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n/an/a 5.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane A2 synthetase from human platelets.

J Med Chem 28: 164-70 (1985)


BindingDB Entry DOI: 10.7270/Q22B8ZKX
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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n/an/a 6.40n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1

J Med Chem 34: 725-36 (1991)


BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50368173
PNG
(CHEMBL1203766)
Show SMILES Brc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C13H13BrN2/c14-11-6-4-10(5-7-11)13-3-1-2-12-8-15-9-16(12)13/h4-9,13H,1-3H2
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n/an/a 7.60n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1

J Med Chem 34: 725-36 (1991)


BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025952
PNG
(5-[4-(1H-Tetrazol-5-yl)-butyl]-imidazo[1,5-a]pyrid...)
Show SMILES C(CCc1cccc2cncn12)Cc1nnn[nH]1
Show InChI InChI=1S/C12H14N6/c1(2-7-12-14-16-17-15-12)4-10-5-3-6-11-8-13-9-18(10)11/h3,5-6,8-9H,1-2,4,7H2,(H,14,15,16,17)
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane A2 synthetase from human platelets.

J Med Chem 28: 164-70 (1985)


BindingDB Entry DOI: 10.7270/Q22B8ZKX
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50008726
PNG
(CHEMBL348913 | [4-(5,6,7,8-Tetrahydro-imidazo[1,5-...)
Show SMILES OCc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H16N2O/c17-9-11-4-6-12(7-5-11)14-3-1-2-13-8-15-10-16(13)14/h4-8,10,14,17H,1-3,9H2
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n/an/a 14n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1

J Med Chem 34: 725-36 (1991)


BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50008725
PNG
(4-(6,7,8,9-Tetrahydro-5H-imidazo[1,5-a]azepin-5-yl...)
Show SMILES N#Cc1ccc(cc1)C1CCCCc2cncn12
Show InChI InChI=1S/C15H15N3/c16-9-12-5-7-13(8-6-12)15-4-2-1-3-14-10-17-11-18(14)15/h5-8,10-11,15H,1-4H2
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n/an/a 14n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1

J Med Chem 34: 725-36 (1991)


BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50008729
PNG
(1-(4-Cyanobenzyl)-5-methyl-1H-imidazole | 4-(5-Met...)
Show SMILES Cc1cncn1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C12H11N3/c1-10-7-14-9-15(10)8-12-4-2-11(6-13)3-5-12/h2-5,7,9H,8H2,1H3
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n/an/a 15n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1

J Med Chem 34: 725-36 (1991)


BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50008733
PNG
(1-(4-Cyanobenzyl)-1H-imidazole | 4-((1H-imidazol-1...)
Show SMILES N#Cc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C11H9N3/c12-7-10-1-3-11(4-2-10)8-14-6-5-13-9-14/h1-6,9H,8H2
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n/an/a 15n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1

J Med Chem 34: 725-36 (1991)


BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme (ACE)

J Med Chem 26: 1277-82 (1983)


BindingDB Entry DOI: 10.7270/Q2571CK4
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50368172
PNG
(CHEMBL1203757)
Show SMILES Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H16N2/c1-11-5-7-12(8-6-11)14-4-2-3-13-9-15-10-16(13)14/h5-10,14H,2-4H2,1H3
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n/an/a 18n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1

J Med Chem 34: 725-36 (1991)


BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025951
PNG
(8-Imidazo[1,5-a]pyridin-5-yl-2-methyl-oct-2-enoic ...)
Show SMILES C\C(=C/CCCCCc1cccc2cncn12)C(O)=O
Show InChI InChI=1S/C16H20N2O2/c1-13(16(19)20)7-4-2-3-5-8-14-9-6-10-15-11-17-12-18(14)15/h6-7,9-12H,2-5,8H2,1H3,(H,19,20)/b13-7+
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane A2 synthetase from human platelets.

J Med Chem 28: 164-70 (1985)


BindingDB Entry DOI: 10.7270/Q22B8ZKX
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025955
PNG
(5-[5-(1H-Tetrazol-5-yl)-pentyl]-imidazo[1,5-a]pyri...)
Show SMILES C(CCc1nnn[nH]1)CCc1cccc2cncn12
Show InChI InChI=1S/C13H16N6/c1(3-8-13-15-17-18-16-13)2-5-11-6-4-7-12-9-14-10-19(11)12/h4,6-7,9-10H,1-3,5,8H2,(H,15,16,17,18)
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane A2 synthetase from human platelets.

J Med Chem 28: 164-70 (1985)


BindingDB Entry DOI: 10.7270/Q22B8ZKX
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025967
PNG
(6-Imidazo[1,5-a]pyridin-5-yl-hexanoic acid hydroxy...)
Show SMILES ONC(=O)CCCCCc1cccc2cncn12
Show InChI InChI=1S/C13H17N3O2/c17-13(15-18)8-3-1-2-5-11-6-4-7-12-9-14-10-16(11)12/h4,6-7,9-10,18H,1-3,5,8H2,(H,15,17)
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane A2 synthetase from human platelets.

J Med Chem 28: 164-70 (1985)


BindingDB Entry DOI: 10.7270/Q22B8ZKX
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025961
PNG
(8-Imidazo[1,5-a]pyridin-5-yl-octanoic acid | CHEMB...)
Show SMILES OC(=O)CCCCCCCc1cccc2cncn12
Show InChI InChI=1S/C15H20N2O2/c18-15(19)10-5-3-1-2-4-7-13-8-6-9-14-11-16-12-17(13)14/h6,8-9,11-12H,1-5,7,10H2,(H,18,19)
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane A2 synthetase from human platelets.

J Med Chem 28: 164-70 (1985)


BindingDB Entry DOI: 10.7270/Q22B8ZKX
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50368175
PNG
(CHEMBL1203760)
Show SMILES CCOC(=O)c1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C16H18N2O2/c1-2-20-16(19)13-8-6-12(7-9-13)15-5-3-4-14-10-17-11-18(14)15/h6-11,15H,2-5H2,1H3
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1

J Med Chem 34: 725-36 (1991)


BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50027764
PNG
(1-(4-Carboxy-2-methyl-pentanoyl)-2,3-dihydro-1H-in...)
Show SMILES C[C@H](C[C@@H](C)C(=O)N1C(Cc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H19NO5/c1-9(7-10(2)15(19)20)14(18)17-12-6-4-3-5-11(12)8-13(17)16(21)22/h3-6,9-10,13H,7-8H2,1-2H3,(H,19,20)(H,21,22)/t9-,10-,13?/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme (ACE)

J Med Chem 26: 1277-82 (1983)


BindingDB Entry DOI: 10.7270/Q2571CK4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025965
PNG
(5-Imidazo[1,5-a]pyridin-5-yl-penta-2,4-dienoic aci...)
Show SMILES OC(=O)\C=C\C=C\c1cccc2cncn12
Show InChI InChI=1S/C12H10N2O2/c15-12(16)7-2-1-4-10-5-3-6-11-8-13-9-14(10)11/h1-9H,(H,15,16)/b4-1+,7-2+
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n/an/a 28n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane A2 synthetase from human platelets.

J Med Chem 28: 164-70 (1985)


BindingDB Entry DOI: 10.7270/Q22B8ZKX
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50027749
PNG
(1-(4-Carboxy-6-phenyl-hexanoyl)-2,3-dihydro-1H-ind...)
Show SMILES OC(=O)[C@@H](CCC(=O)N1C(Cc2ccccc12)C(O)=O)CCc1ccccc1
Show InChI InChI=1S/C22H23NO5/c24-20(23-18-9-5-4-8-17(18)14-19(23)22(27)28)13-12-16(21(25)26)11-10-15-6-2-1-3-7-15/h1-9,16,19H,10-14H2,(H,25,26)(H,27,28)/t16-,19?/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme (ACE)

J Med Chem 26: 1277-82 (1983)


BindingDB Entry DOI: 10.7270/Q2571CK4
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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n/an/a 39n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1

J Med Chem 34: 725-36 (1991)


BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50027742
PNG
(1-(4-Carboxy-6-phenyl-hexanoyl)-2,3-dihydro-1H-ind...)
Show SMILES OC(=O)C(CCC(=O)N1C(Cc2ccccc12)C(O)=O)CCc1ccccc1
Show InChI InChI=1S/C22H23NO5/c24-20(23-18-9-5-4-8-17(18)14-19(23)22(27)28)13-12-16(21(25)26)11-10-15-6-2-1-3-7-15/h1-9,16,19H,10-14H2,(H,25,26)(H,27,28)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme (ACE)

J Med Chem 26: 1277-82 (1983)


BindingDB Entry DOI: 10.7270/Q2571CK4
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1

J Med Chem 34: 725-36 (1991)


BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025954
PNG
(8-Imidazo[1,5-a]pyridin-5-yl-oct-2-enoic acid | CH...)
Show SMILES OC(=O)\C=C\CCCCCc1cccc2cncn12
Show InChI InChI=1S/C15H18N2O2/c18-15(19)10-5-3-1-2-4-7-13-8-6-9-14-11-16-12-17(13)14/h5-6,8-12H,1-4,7H2,(H,18,19)/b10-5+
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane A2 synthetase from human platelets.

J Med Chem 28: 164-70 (1985)


BindingDB Entry DOI: 10.7270/Q22B8ZKX
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025959
PNG
(5-Imidazo[1,5-a]pyridin-5-yl-pentanoic acid | CHEM...)
Show SMILES OC(=O)CCCCc1cccc2cncn12
Show InChI InChI=1S/C12H14N2O2/c15-12(16)7-2-1-4-10-5-3-6-11-8-13-9-14(10)11/h3,5-6,8-9H,1-2,4,7H2,(H,15,16)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane A2 synthetase from human platelets.

J Med Chem 28: 164-70 (1985)


BindingDB Entry DOI: 10.7270/Q22B8ZKX
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50027754
PNG
(1-(4-Carboxy-2-methyl-butyryl)-2,3-dihydro-1H-indo...)
Show SMILES C[C@H](CCC(O)=O)C(=O)N1C(Cc2ccccc12)C(O)=O
Show InChI InChI=1S/C15H17NO5/c1-9(6-7-13(17)18)14(19)16-11-5-3-2-4-10(11)8-12(16)15(20)21/h2-5,9,12H,6-8H2,1H3,(H,17,18)(H,20,21)/t9-,12?/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme (ACE)

J Med Chem 26: 1277-82 (1983)


BindingDB Entry DOI: 10.7270/Q2571CK4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50027755
PNG
(1-[2-(2-Carboxy-ethyl)-3-methyl-butyryl]-2,3-dihyd...)
Show SMILES CC(C)C(CCC(O)=O)C(=O)N1C(Cc2ccccc12)C(O)=O
Show InChI InChI=1S/C17H21NO5/c1-10(2)12(7-8-15(19)20)16(21)18-13-6-4-3-5-11(13)9-14(18)17(22)23/h3-6,10,12,14H,7-9H2,1-2H3,(H,19,20)(H,22,23)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme (ACE)

J Med Chem 26: 1277-82 (1983)


BindingDB Entry DOI: 10.7270/Q2571CK4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50027750
PNG
(1-(4-Carboxy-2-methyl-pentanoyl)-2,3-dihydro-1H-in...)
Show SMILES CC(CC(C)C(=O)N1C(Cc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H19NO5/c1-9(7-10(2)15(19)20)14(18)17-12-6-4-3-5-11(12)8-13(17)16(21)22/h3-6,9-10,13H,7-8H2,1-2H3,(H,19,20)(H,21,22)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme (ACE)

J Med Chem 26: 1277-82 (1983)


BindingDB Entry DOI: 10.7270/Q2571CK4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50027747
PNG
(1-(4-Carboxy-2-methyl-butyryl)-2,3-dihydro-1H-indo...)
Show SMILES CC(CCC(O)=O)C(=O)N1C(Cc2ccccc12)C(O)=O
Show InChI InChI=1S/C15H17NO5/c1-9(6-7-13(17)18)14(19)16-11-5-3-2-4-10(11)8-12(16)15(20)21/h2-5,9,12H,6-8H2,1H3,(H,17,18)(H,20,21)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme (ACE)

J Med Chem 26: 1277-82 (1983)


BindingDB Entry DOI: 10.7270/Q2571CK4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025969
PNG
(6-Imidazo[1,5-a]pyridin-5-yl-hexanoic acid amide |...)
Show SMILES NC(=O)CCCCCc1cccc2cncn12
Show InChI InChI=1S/C13H17N3O/c14-13(17)8-3-1-2-5-11-6-4-7-12-9-15-10-16(11)12/h4,6-7,9-10H,1-3,5,8H2,(H2,14,17)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane A2 synthetase from human platelets.

J Med Chem 28: 164-70 (1985)


BindingDB Entry DOI: 10.7270/Q22B8ZKX
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50008724
PNG
(4-(5,6,7,8-Tetrahydro-imidazo[1,5-a]pyridin-5-yl)-...)
Show SMILES N#CCCCC1CCCc2cncn12
Show InChI InChI=1S/C11H15N3/c12-7-2-1-4-10-5-3-6-11-8-13-9-14(10)11/h8-10H,1-6H2
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n/an/a 93n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of cytochrome P450 19A1

J Med Chem 34: 725-36 (1991)


BindingDB Entry DOI: 10.7270/Q2SB46BP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50027762
PNG
(1-(4-Carboxy-2-methyl-pentanoyl)-5-methoxy-2,3-dih...)
Show SMILES COc1ccc2N(C(Cc2c1)C(O)=O)C(=O)[C@H](C)C[C@@H](C)C(O)=O
Show InChI InChI=1S/C17H21NO6/c1-9(6-10(2)16(20)21)15(19)18-13-5-4-12(24-3)7-11(13)8-14(18)17(22)23/h4-5,7,9-10,14H,6,8H2,1-3H3,(H,20,21)(H,22,23)/t9-,10-,14?/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme (ACE)

J Med Chem 26: 1277-82 (1983)


BindingDB Entry DOI: 10.7270/Q2571CK4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50027750
PNG
(1-(4-Carboxy-2-methyl-pentanoyl)-2,3-dihydro-1H-in...)
Show SMILES CC(CC(C)C(=O)N1C(Cc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H19NO5/c1-9(7-10(2)15(19)20)14(18)17-12-6-4-3-5-11(12)8-13(17)16(21)22/h3-6,9-10,13H,7-8H2,1-2H3,(H,19,20)(H,21,22)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme

J Med Chem 26: 1277-82 (1983)


BindingDB Entry DOI: 10.7270/Q2571CK4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50027765
PNG
(1-(4-Carboxy-butyryl)-2,3-dihydro-1H-indole-2-carb...)
Show SMILES OC(=O)CCCC(=O)N1C(Cc2ccccc12)C(O)=O
Show InChI InChI=1S/C14H15NO5/c16-12(6-3-7-13(17)18)15-10-5-2-1-4-9(10)8-11(15)14(19)20/h1-2,4-5,11H,3,6-8H2,(H,17,18)(H,19,20)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme (ACE)

J Med Chem 26: 1277-82 (1983)


BindingDB Entry DOI: 10.7270/Q2571CK4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025964
PNG
(6-Imidazo[1,5-a]pyridin-5-yl-hexanoic acid methyla...)
Show SMILES CNC(=O)CCCCCc1cccc2cncn12
Show InChI InChI=1S/C14H19N3O/c1-15-14(18)9-4-2-3-6-12-7-5-8-13-10-16-11-17(12)13/h5,7-8,10-11H,2-4,6,9H2,1H3,(H,15,18)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane A2 synthetase from human platelets.

J Med Chem 28: 164-70 (1985)


BindingDB Entry DOI: 10.7270/Q22B8ZKX
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025960
PNG
(6-Imidazo[1,5-a]pyridin-5-yl-hexan-1-ol; hydrochlo...)
Show SMILES OCCCCCCc1cccc2cncn12
Show InChI InChI=1S/C13H18N2O/c16-9-4-2-1-3-6-12-7-5-8-13-10-14-11-15(12)13/h5,7-8,10-11,16H,1-4,6,9H2
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane A2 synthetase from human platelets.

J Med Chem 28: 164-70 (1985)


BindingDB Entry DOI: 10.7270/Q22B8ZKX
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50027763
PNG
(1-(3-Carboxy-2-methyl-propionyl)-2,3-dihydro-1H-in...)
Show SMILES CC(CC(O)=O)C(=O)N1[C@@H](Cc2ccccc12)C(O)=O
Show InChI InChI=1S/C14H15NO5/c1-8(6-12(16)17)13(18)15-10-5-3-2-4-9(10)7-11(15)14(19)20/h2-5,8,11H,6-7H2,1H3,(H,16,17)(H,19,20)/t8?,11-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme (ACE)

J Med Chem 26: 1277-82 (1983)


BindingDB Entry DOI: 10.7270/Q2571CK4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025957
PNG
(6-Imidazo[1,5-a]pyridin-5-yl-hexanoic acid ethyl e...)
Show SMILES CCOC(=O)CCCCCc1cccc2cncn12
Show InChI InChI=1S/C15H20N2O2/c1-2-19-15(18)10-5-3-4-7-13-8-6-9-14-11-16-12-17(13)14/h6,8-9,11-12H,2-5,7,10H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane A2 synthetase from human platelets.

J Med Chem 28: 164-70 (1985)


BindingDB Entry DOI: 10.7270/Q22B8ZKX
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025971
PNG
(5-Imidazo[1,5-a]pyridin-8-yl-pentanoic acid | CHEM...)
Show SMILES OC(=O)CCCCc1cccn2cncc12
Show InChI InChI=1S/C12H14N2O2/c15-12(16)6-2-1-4-10-5-3-7-14-9-13-8-11(10)14/h3,5,7-9H,1-2,4,6H2,(H,15,16)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane A2 synthetase from human platelets.

J Med Chem 28: 164-70 (1985)


BindingDB Entry DOI: 10.7270/Q22B8ZKX
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50027748
PNG
(1-(4-Carboxy-2-methyl-pentanoyl)-5-chloro-2,3-dihy...)
Show SMILES C[C@H](C[C@@H](C)C(=O)N1C(Cc2cc(Cl)ccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C16H18ClNO5/c1-8(5-9(2)15(20)21)14(19)18-12-4-3-11(17)6-10(12)7-13(18)16(22)23/h3-4,6,8-9,13H,5,7H2,1-2H3,(H,20,21)(H,22,23)/t8-,9-,13?/m1/s1
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n/an/a 440n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme (ACE)

J Med Chem 26: 1277-82 (1983)


BindingDB Entry DOI: 10.7270/Q2571CK4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50027741
PNG
(1-(4-Carboxy-2-methyl-pentanoyl)-5-methyl-2,3-dihy...)
Show SMILES C[C@H](C[C@@H](C)C(=O)N1C(Cc2cc(C)ccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C17H21NO5/c1-9-4-5-13-12(6-9)8-14(17(22)23)18(13)15(19)10(2)7-11(3)16(20)21/h4-6,10-11,14H,7-8H2,1-3H3,(H,20,21)(H,22,23)/t10-,11-,14?/m1/s1
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n/an/a 490n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin converting enzyme

J Med Chem 26: 1277-82 (1983)


BindingDB Entry DOI: 10.7270/Q2571CK4
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025958
PNG
(6-Imidazo[1,5-a]pyridin-5-yl-hexanoic acid dimethy...)
Show SMILES CN(C)C(=O)CCCCCc1cccc2cncn12
Show InChI InChI=1S/C15H21N3O/c1-17(2)15(19)10-5-3-4-7-13-8-6-9-14-11-16-12-18(13)14/h6,8-9,11-12H,3-5,7,10H2,1-2H3
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n/an/a 550n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane A2 synthetase from human platelets.

J Med Chem 28: 164-70 (1985)


BindingDB Entry DOI: 10.7270/Q22B8ZKX
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Homo sapiens (Human))		BDBM50025968
PNG
(6-Imidazo[1,5-a]pyridin-5-yl-hexanenitrile; hydroc...)
Show SMILES N#CCCCCCc1cccc2cncn12
Show InChI InChI=1S/C13H15N3/c14-9-4-2-1-3-6-12-7-5-8-13-10-15-11-16(12)13/h5,7-8,10-11H,1-4,6H2
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n/an/a 630n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of thromboxane A2 synthetase from human platelets.

J Med Chem 28: 164-70 (1985)


BindingDB Entry DOI: 10.7270/Q22B8ZKX
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50027745
PNG
(1-(4-Carboxy-pentanoyl)-2,3-dihydro-1H-indole-2-ca...)
Show SMILES CC(CCC(=O)N1C(Cc2ccccc12)C(O)=O)C(O)=O
Show InChI InChI=1S/C15H17NO5/c1-9(14(18)19)6-7-13(17)16-11-5-3-2-4-10(11)8-12(16)15(20)21/h2-5,9,12H,6-8H2,1H3,(H,18,19)(H,20,21)
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n/an/a 920n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme (ACE)

J Med Chem 26: 1277-82 (1983)


BindingDB Entry DOI: 10.7270/Q2571CK4
More data for this
Ligand-Target Pair
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