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Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'mencel' and Initial = 'jj'   
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
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013556
PNG
(2-{4-[2-(1H-Tetrazol-5-ylmethoxy)-benzyloxy]-pheno...)
Show SMILES C(Oc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1)c1nnn[nH]1
Show InChI InChI=1S/C25H21N5O3/c1-3-7-23-18(5-1)9-10-20(26-23)16-32-22-13-11-21(12-14-22)31-15-19-6-2-4-8-24(19)33-17-25-27-29-30-28-25/h1-14H,15-17H2,(H,27,28,29,30)
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 2.10n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013559
PNG
(2-{3-[4-(1H-Tetrazol-5-ylmethoxy)-benzyloxy]-pheno...)
Show SMILES C(Oc1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc1)c1nnn[nH]1
Show InChI InChI=1S/C25H21N5O3/c1-2-7-24-19(4-1)10-11-20(26-24)16-32-23-6-3-5-22(14-23)31-15-18-8-12-21(13-9-18)33-17-25-27-29-30-28-25/h1-14H,15-17H2,(H,27,28,29,30)
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 2.20n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013548
PNG
(2-{4-[3-(1H-Tetrazol-5-yl)-benzyloxy]-phenoxymethy...)
Show SMILES C(Oc1ccc(OCc2ccc3ccccc3n2)cc1)c1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C24H19N5O2/c1-2-7-23-18(5-1)8-9-20(25-23)16-31-22-12-10-21(11-13-22)30-15-17-4-3-6-19(14-17)24-26-28-29-27-24/h1-14H,15-16H2,(H,26,27,28,29)
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 2.20n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013570
PNG
(7-Chloro-2-(2-{4-[2-(1H-tetrazol-5-ylmethyl)-benzy...)
Show SMILES Clc1ccc2ccc(C=Cc3ccc(OCc4ccccc4Cc4nnn[nH]4)cc3)nc2c1 |w:8.7|
Show InChI InChI=1S/C26H20ClN5O/c27-22-10-8-19-9-12-23(28-25(19)16-22)11-5-18-6-13-24(14-7-18)33-17-21-4-2-1-3-20(21)15-26-29-31-32-30-26/h1-14,16H,15,17H2,(H,29,30,31,32)
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 2.5n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013562
PNG
(7-Chloro-2-{4-[2-(1H-tetrazol-5-ylmethyl)-benzylox...)
Show SMILES Clc1ccc2ccc(COc3ccc(OCc4ccccc4Cc4nnn[nH]4)cc3)nc2c1
Show InChI InChI=1S/C25H20ClN5O2/c26-20-7-5-17-6-8-21(27-24(17)14-20)16-33-23-11-9-22(10-12-23)32-15-19-4-2-1-3-18(19)13-25-28-30-31-29-25/h1-12,14H,13,15-16H2,(H,28,29,30,31)
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 2.5n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013550
PNG
(2-{3-[4-(1H-Tetrazol-5-yl)-phenoxymethyl]-phenoxym...)
Show SMILES C(Oc1ccc(cc1)-c1nnn[nH]1)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C24H19N5O2/c1-2-7-23-18(5-1)8-11-20(25-23)16-31-22-6-3-4-17(14-22)15-30-21-12-9-19(10-13-21)24-26-28-29-27-24/h1-14H,15-16H2,(H,26,27,28,29)
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 2.90n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50006799
PNG
(2-{4-[2-(1H-Tetrazol-5-ylmethyl)-benzyloxy]-phenox...)
Show SMILES C(Oc1ccc(OCc2ccccc2Cc2nnn[nH]2)cc1)c1ccc2ccccc2n1
Show InChI InChI=1S/C25H21N5O2/c1-2-7-20(19(6-1)15-25-27-29-30-28-25)16-31-22-11-13-23(14-12-22)32-17-21-10-9-18-5-3-4-8-24(18)26-21/h1-14H,15-17H2,(H,27,28,29,30)
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 3n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013553
PNG
(2-(2-{4-[2-(1H-Tetrazol-5-ylmethyl)-benzyloxy]-phe...)
Show SMILES C(Oc1ccc(C=Cc2ccc3ccccc3n2)cc1)c1ccccc1Cc1nnn[nH]1 |w:7.7|
Show InChI InChI=1S/C26H21N5O/c1-2-7-22(21(6-1)17-26-28-30-31-29-26)18-32-24-15-10-19(11-16-24)9-13-23-14-12-20-5-3-4-8-25(20)27-23/h1-16H,17-18H2,(H,28,29,30,31)
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 3.40n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013544
PNG
(2-{3-[2-Methoxy-4-(1H-tetrazol-5-yl)-benzyloxy]-ph...)
Show SMILES COc1cc(ccc1COc1cccc(OCc2ccc3ccccc3n2)c1)-c1nnn[nH]1
Show InChI InChI=1S/C25H21N5O3/c1-31-24-13-18(25-27-29-30-28-25)9-10-19(24)15-32-21-6-4-7-22(14-21)33-16-20-12-11-17-5-2-3-8-23(17)26-20/h2-14H,15-16H2,1H3,(H,27,28,29,30)
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 4.30n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013547
PNG
(2-{3-[3-(1H-Tetrazol-5-yl)-phenoxymethyl]-phenoxym...)
Show SMILES C(Oc1cccc(c1)-c1nnn[nH]1)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C24H19N5O2/c1-2-10-23-18(6-1)11-12-20(25-23)16-31-21-8-3-5-17(13-21)15-30-22-9-4-7-19(14-22)24-26-28-29-27-24/h1-14H,15-16H2,(H,26,27,28,29)
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 5.30n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013554
PNG
(2-{3-[3-Methoxy-5-(1H-tetrazol-5-yl)-benzyloxy]-ph...)
Show SMILES COc1cc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C25H21N5O3/c1-31-23-12-17(11-19(13-23)25-27-29-30-28-25)15-32-21-6-4-7-22(14-21)33-16-20-10-9-18-5-2-3-8-24(18)26-20/h2-14H,15-16H2,1H3,(H,27,28,29,30)
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 7n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013561
PNG
(2-{3-[4-(1H-Tetrazol-5-ylmethyl)-benzyloxy]-phenox...)
Show SMILES C(Oc1cccc(OCc2ccc3ccccc3n2)c1)c1ccc(Cc2nnn[nH]2)cc1
Show InChI InChI=1S/C25H21N5O2/c1-2-7-24-20(4-1)12-13-21(26-24)17-32-23-6-3-5-22(15-23)31-16-19-10-8-18(9-11-19)14-25-27-29-30-28-25/h1-13,15H,14,16-17H2,(H,27,28,29,30)
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 7.30n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013541
PNG
(2-{4-[3-Methoxy-5-(1H-tetrazol-5-yl)-phenoxymethyl...)
Show SMILES COc1cc(OCc2ccc(OCc3ccc4ccccc4n3)cc2)cc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C25H21N5O3/c1-31-22-12-19(25-27-29-30-28-25)13-23(14-22)32-15-17-6-10-21(11-7-17)33-16-20-9-8-18-4-2-3-5-24(18)26-20/h2-14H,15-16H2,1H3,(H,27,28,29,30)
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 7.5n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013560
PNG
(2-{4-[3-(1H-Tetrazol-5-ylmethoxy)-benzyloxy]-pheno...)
Show SMILES C(Oc1cccc(COc2ccc(OCc3ccc4ccccc4n3)cc2)c1)c1nnn[nH]1
Show InChI InChI=1S/C25H21N5O3/c1-2-7-24-19(5-1)8-9-20(26-24)16-32-22-12-10-21(11-13-22)31-15-18-4-3-6-23(14-18)33-17-25-27-29-30-28-25/h1-14H,15-17H2,(H,27,28,29,30)
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 8n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013549
PNG
(4-[3-(Quinolin-2-ylmethoxy)-phenoxymethyl]-3-(1H-t...)
Show SMILES COC(=O)c1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c(OCc2nnn[nH]2)c1
Show InChI InChI=1S/C27H23N5O5/c1-34-27(33)19-9-10-20(25(13-19)37-17-26-29-31-32-30-26)15-35-22-6-4-7-23(14-22)36-16-21-12-11-18-5-2-3-8-24(18)28-21/h2-14H,15-17H2,1H3,(H,29,30,31,32)
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 8n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013546
PNG
(2-{4-[3-(1H-Tetrazol-5-ylmethyl)-benzyloxy]-phenox...)
Show SMILES C(Oc1ccc(OCc2ccc3ccccc3n2)cc1)c1cccc(Cc2nnn[nH]2)c1
Show InChI InChI=1S/C25H21N5O2/c1-2-7-24-20(6-1)8-9-21(26-24)17-32-23-12-10-22(11-13-23)31-16-19-5-3-4-18(14-19)15-25-27-29-30-28-25/h1-14H,15-17H2,(H,27,28,29,30)
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 8n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013564
PNG
(2-(3-{2-[3-(1H-Tetrazol-5-yl)-phenyl]-vinyl}-pheno...)
Show SMILES C(Oc1cccc(\C=C\c2cccc(c2)-c2nnn[nH]2)c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C25H19N5O/c1-2-10-24-20(7-1)13-14-22(26-24)17-31-23-9-4-6-19(16-23)12-11-18-5-3-8-21(15-18)25-27-29-30-28-25/h1-16H,17H2,(H,27,28,29,30)/b12-11+
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 8.5n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013558
PNG
(2-{4-[4-(1H-Tetrazol-5-ylmethyl)-benzyloxy]-phenox...)
Show SMILES C(Oc1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(Cc2nnn[nH]2)cc1
Show InChI InChI=1S/C25H21N5O2/c1-2-4-24-20(3-1)9-10-21(26-24)17-32-23-13-11-22(12-14-23)31-16-19-7-5-18(6-8-19)15-25-27-29-30-28-25/h1-14H,15-17H2,(H,27,28,29,30)
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 8.5n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013540
PNG
(2-{3-[3-(1H-Tetrazol-5-ylmethyl)-benzyloxy]-phenox...)
Show SMILES C(Oc1cccc(OCc2ccc3ccccc3n2)c1)c1cccc(Cc2nnn[nH]2)c1
Show InChI InChI=1S/C25H21N5O2/c1-2-10-24-20(7-1)11-12-21(26-24)17-32-23-9-4-8-22(15-23)31-16-19-6-3-5-18(13-19)14-25-27-29-30-28-25/h1-13,15H,14,16-17H2,(H,27,28,29,30)
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 10n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013569
PNG
(2-{3-[3-Methoxy-5-(1H-tetrazol-5-yl)-phenoxymethyl...)
Show SMILES COc1cc(OCc2cccc(OCc3ccc4ccccc4n3)c2)cc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C25H21N5O3/c1-31-22-12-19(25-27-29-30-28-25)13-23(14-22)32-15-17-5-4-7-21(11-17)33-16-20-10-9-18-6-2-3-8-24(18)26-20/h2-14H,15-16H2,1H3,(H,27,28,29,30)
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 10n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013555
PNG
(2-{3-[4-(1H-Tetrazol-5-yl)-benzyloxy]-phenoxymethy...)
Show SMILES C(Oc1cccc(OCc2ccc3ccccc3n2)c1)c1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C24H19N5O2/c1-2-7-23-18(4-1)12-13-20(25-23)16-31-22-6-3-5-21(14-22)30-15-17-8-10-19(11-9-17)24-26-28-29-27-24/h1-14H,15-16H2,(H,26,27,28,29)
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 10n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013565
PNG
(2-{3-[2-(1H-Tetrazol-5-ylmethyl)-benzyloxy]-phenox...)
Show SMILES C(Oc1cccc(OCc2ccccc2Cc2nnn[nH]2)c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C25H21N5O2/c1-2-8-20(19(7-1)14-25-27-29-30-28-25)16-31-22-9-5-10-23(15-22)32-17-21-13-12-18-6-3-4-11-24(18)26-21/h1-13,15H,14,16-17H2,(H,27,28,29,30)
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 12n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013567
PNG
(2-{3-[3-(1H-Tetrazol-5-ylmethoxy)-benzyloxy]-pheno...)
Show SMILES C(Oc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1)c1nnn[nH]1
Show InChI InChI=1S/C25H21N5O3/c1-2-10-24-19(6-1)11-12-20(26-24)16-32-23-9-4-8-22(14-23)31-15-18-5-3-7-21(13-18)33-17-25-27-29-30-28-25/h1-14H,15-17H2,(H,27,28,29,30)
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 13n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013542
PNG
(2-{3-[3-(1H-Tetrazol-5-yl)-benzyloxy]-phenoxymethy...)
Show SMILES C(Oc1cccc(OCc2ccc3ccccc3n2)c1)c1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C24H19N5O2/c1-2-10-23-18(6-1)11-12-20(25-23)16-31-22-9-4-8-21(14-22)30-15-17-5-3-7-19(13-17)24-26-28-29-27-24/h1-14H,15-16H2,(H,26,27,28,29)
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 16n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013568
PNG
(2-{3-[2-Methoxy-4-(1H-tetrazol-5-yl)-phenoxymethyl...)
Show SMILES COc1cc(ccc1OCc1cccc(OCc2ccc3ccccc3n2)c1)-c1nnn[nH]1
Show InChI InChI=1S/C25H21N5O3/c1-31-24-14-19(25-27-29-30-28-25)10-12-23(24)33-15-17-5-4-7-21(13-17)32-16-20-11-9-18-6-2-3-8-22(18)26-20/h2-14H,15-16H2,1H3,(H,27,28,29,30)
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 16n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013566
PNG
(2-(3-{2-[3-(1H-Tetrazol-5-yl)-phenyl]-ethyl}-pheno...)
Show SMILES C(Cc1cccc(c1)-c1nnn[nH]1)c1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C25H21N5O/c1-2-10-24-20(7-1)13-14-22(26-24)17-31-23-9-4-6-19(16-23)12-11-18-5-3-8-21(15-18)25-27-29-30-28-25/h1-10,13-16H,11-12,17H2,(H,27,28,29,30)
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 17n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013552
PNG
(2-{3-[2-(1H-Tetrazol-5-ylmethoxy)-benzyloxy]-pheno...)
Show SMILES C(Oc1ccccc1COc1cccc(OCc2ccc3ccccc3n2)c1)c1nnn[nH]1
Show InChI InChI=1S/C25H21N5O3/c1-3-10-23-18(6-1)12-13-20(26-23)16-32-22-9-5-8-21(14-22)31-15-19-7-2-4-11-24(19)33-17-25-27-29-30-28-25/h1-14H,15-17H2,(H,27,28,29,30)
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 17n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013543
PNG
(2-{3-[2-(1H-Tetrazol-5-yl)-benzyloxy]-phenoxymethy...)
Show SMILES C(Oc1cccc(OCc2ccccc2-c2nnn[nH]2)c1)c1ccc2ccccc2n1
Show InChI InChI=1S/C24H19N5O2/c1-3-10-22(24-26-28-29-27-24)18(7-1)15-30-20-8-5-9-21(14-20)31-16-19-13-12-17-6-2-4-11-23(17)25-19/h1-14H,15-16H2,(H,26,27,28,29)
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 20n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013557
PNG
(2-{4-[2-Methoxy-4-(1H-tetrazol-5-yl)-phenoxymethyl...)
Show SMILES COc1cc(ccc1OCc1ccc(OCc2ccc3ccccc3n2)cc1)-c1nnn[nH]1
Show InChI InChI=1S/C25H21N5O3/c1-31-24-14-19(25-27-29-30-28-25)9-13-23(24)33-15-17-6-11-21(12-7-17)32-16-20-10-8-18-4-2-3-5-22(18)26-20/h2-14H,15-16H2,1H3,(H,27,28,29,30)
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 22n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013563
PNG
(2-{4-[4-(1H-Tetrazol-5-yl)-phenoxymethyl]-phenoxym...)
Show SMILES C(Oc1ccc(cc1)-c1nnn[nH]1)c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C24H19N5O2/c1-2-4-23-18(3-1)7-10-20(25-23)16-31-21-11-5-17(6-12-21)15-30-22-13-8-19(9-14-22)24-26-28-29-27-24/h1-14H,15-16H2,(H,26,27,28,29)
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 31n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50006806
PNG
(C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C17H13F3N2O3S/c18-17(19,20)26(23,24)22-13-5-3-6-15(10-13)25-11-14-9-8-12-4-1-2-7-16(12)21-14/h1-10,22H,11H2
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 35n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013551
PNG
(3-[3-(Quinolin-2-ylmethoxy)-phenoxymethyl]-benzoic...)
Show SMILES OC(=O)c1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1
Show InChI InChI=1S/C24H19NO4/c26-24(27)19-7-3-5-17(13-19)15-28-21-8-4-9-22(14-21)29-16-20-12-11-18-6-1-2-10-23(18)25-20/h1-14H,15-16H2,(H,26,27)
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 40n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50013545
PNG
(4-[3-(Quinolin-2-ylmethoxy)-phenoxymethyl]-benzoic...)
Show SMILES OC(=O)c1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc1
Show InChI InChI=1S/C24H19NO4/c26-24(27)19-10-8-17(9-11-19)15-28-21-5-3-6-22(14-21)29-16-20-13-12-18-4-1-2-7-23(18)25-20/h1-14H,15-16H2,(H,26,27)
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 90n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50006812
PNG
(7-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydro...)
Show SMILES CCCc1c(OCC(O)COc2ccc3c(oc(cc3=O)C(O)=O)c2CCC)ccc(C(C)=O)c1O
Show InChI InChI=1S/C27H30O9/c1-4-6-19-22(10-8-17(15(3)28)25(19)31)34-13-16(29)14-35-23-11-9-18-21(30)12-24(27(32)33)36-26(18)20(23)7-5-2/h8-12,16,29,31H,4-7,13-14H2,1-3H3,(H,32,33)
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 510n/an/an/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM)

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme 2


(Homo sapiens (Human))		BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme in Hog plasma

J Med Chem 33: 1606-15 (1990)


BindingDB Entry DOI: 10.7270/Q2CF9QPK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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n/an/a 5.80n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme in rabbit lung

J Med Chem 33: 1606-15 (1990)


BindingDB Entry DOI: 10.7270/Q2CF9QPK
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50013611
PNG
(4-(4-Amino-2-chloro-5-sulfamoyl-benzenesulfonylami...)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NS(=O)(=O)c1cc(c(N)cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C24H30ClN5O9S2/c1-13(28-18(23(32)33)8-7-14-5-3-2-4-6-14)22(31)30-12-15(9-19(30)24(34)35)29-41(38,39)20-11-21(40(27,36)37)17(26)10-16(20)25/h2-6,10-11,13,15,18-19,28-29H,7-9,12,26H2,1H3,(H,32,33)(H,34,35)(H2,27,36,37)/t13-,15-,18-,19-/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


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

J Med Chem 33: 1606-15 (1990)


BindingDB Entry DOI: 10.7270/Q2CF9QPK
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50013613
PNG
(3-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-2...)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1[C@@H](CSC1c1ccc(Cl)c(c1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C23H26ClN3O7S2/c1-13(26-17(22(29)30)10-7-14-5-3-2-4-6-14)20(28)27-18(23(31)32)12-35-21(27)15-8-9-16(24)19(11-15)36(25,33)34/h2-6,8-9,11,13,17-18,21,26H,7,10,12H2,1H3,(H,29,30)(H,31,32)(H2,25,33,34)/t13-,17-,18-,21?/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


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

J Med Chem 33: 1606-15 (1990)


BindingDB Entry DOI: 10.7270/Q2CF9QPK
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50013616
PNG
(1-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-4...)
Show SMILES Cl.Cl.C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CC(C[C@H]1C(O)=O)N(C)CCC1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(N)(=O)=O
Show InChI InChI=1S/C28H37ClN6O9S2.2ClH/c1-16(31-20(27(37)38)9-8-17-6-4-3-5-7-17)26(36)35-15-18(12-22(35)28(39)40)34(2)11-10-25-32-21-13-19(29)23(45(30,41)42)14-24(21)46(43,44)33-25;;/h3-7,13-14,16,18,20,22,25,31-33H,8-12,15H2,1-2H3,(H,37,38)(H,39,40)(H2,30,41,42);2*1H/t16-,18?,20-,22-,25?;;/m0../s1
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n/an/a 18n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


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

J Med Chem 33: 1606-15 (1990)


BindingDB Entry DOI: 10.7270/Q2CF9QPK
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 18n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme in rabbit lung

J Med Chem 33: 1606-15 (1990)


BindingDB Entry DOI: 10.7270/Q2CF9QPK
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50013609
PNG
(1-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-4...)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@@H](C[C@H]1C(O)=O)OCCC1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(N)(=O)=O
Show InChI InChI=1S/C27H34ClN5O10S2/c1-15(30-19(26(35)36)8-7-16-5-3-2-4-6-16)25(34)33-14-17(11-21(33)27(37)38)43-10-9-24-31-20-12-18(28)22(44(29,39)40)13-23(20)45(41,42)32-24/h2-6,12-13,15,17,19,21,24,30-32H,7-11,14H2,1H3,(H,35,36)(H,37,38)(H2,29,39,40)/t15-,17+,19-,21-,24?/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


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

J Med Chem 33: 1606-15 (1990)


BindingDB Entry DOI: 10.7270/Q2CF9QPK
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50006798
PNG
(2-[3-(Quinolin-2-ylmethoxy)-phenylamino]-benzoic a...)
Show SMILES OC(=O)c1ccccc1Nc1cccc(OCc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C23H18N2O3/c26-23(27)20-9-2-4-11-22(20)24-17-7-5-8-19(14-17)28-15-18-13-12-16-6-1-3-10-21(16)25-18/h1-14,24H,15H2,(H,26,27)
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n/an/a 23n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against binding of Cysteinyl leukotriene D4 receptor from guinea pig lung using [3H]-LTD4

J Med Chem 33: 1194-200 (1990)


BindingDB Entry DOI: 10.7270/Q2PK0F4V
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50013608
PNG
(1-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-4...)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1C[C@H](C[C@H]1C(O)=O)NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O |c:39|
Show InChI InChI=1S/C25H28ClN5O9S2/c1-14(29-18(24(33)34)8-7-15-5-3-2-4-6-15)23(32)31-12-16(9-20(31)25(35)36)30-42(39,40)21-11-22-19(10-17(21)26)27-13-28-41(22,37)38/h2-6,10-11,13-14,16,18,20,29-30H,7-9,12H2,1H3,(H,27,28)(H,33,34)(H,35,36)/t14-,16-,18-,20-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


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

J Med Chem 33: 1606-15 (1990)


BindingDB Entry DOI: 10.7270/Q2CF9QPK
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme 2


(Homo sapiens (Human))		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 25n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme in Hog plasma

J Med Chem 33: 1606-15 (1990)


BindingDB Entry DOI: 10.7270/Q2CF9QPK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50013615
PNG
(1-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-4...)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CC(C[C@H]1C(O)=O)NNC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C25H30ClN5O8S/c1-14(28-19(24(34)35)10-7-15-5-3-2-4-6-15)23(33)31-13-17(12-20(31)25(36)37)29-30-22(32)16-8-9-18(26)21(11-16)40(27,38)39/h2-6,8-9,11,14,17,19-20,28-29H,7,10,12-13H2,1H3,(H,30,32)(H,34,35)(H,36,37)(H2,27,38,39)/t14-,17?,19-,20-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme in rabbit lung

J Med Chem 33: 1606-15 (1990)


BindingDB Entry DOI: 10.7270/Q2CF9QPK
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50013614
PNG
(1'-[N(1S)-1-Carboxy-3-phenylpropyl]-L-alanyl]-5'-c...)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CC2(C[C@H]1C(O)=O)Nc1cc(Cl)c(cc1S(=O)(=O)N2)S(N)(=O)=O
Show InChI InChI=1S/C24H28ClN5O9S2/c1-13(27-16(22(32)33)8-7-14-5-3-2-4-6-14)21(31)30-12-24(11-18(30)23(34)35)28-17-9-15(25)19(40(26,36)37)10-20(17)41(38,39)29-24/h2-6,9-10,13,16,18,27-29H,7-8,11-12H2,1H3,(H,32,33)(H,34,35)(H2,26,36,37)/t13-,16-,18-,24?/m0/s1
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n/an/a 85n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


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

J Med Chem 33: 1606-15 (1990)


BindingDB Entry DOI: 10.7270/Q2CF9QPK
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50017129
PNG
((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme in rabbit lung

J Med Chem 33: 1606-15 (1990)


BindingDB Entry DOI: 10.7270/Q2CF9QPK
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme 2


(Homo sapiens (Human))		BDBM50017129
PNG
((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O |r|
Show InChI InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme in Hog plasma

J Med Chem 33: 1606-15 (1990)


BindingDB Entry DOI: 10.7270/Q2CF9QPK
More data for this
Ligand-Target Pair