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Compile Data Set for Download or QSAR

Found 128 hits with Last Name = 'dankulich' and Initial = 'wp'   
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)		BDBM50291847
PNG
(7-[3-(Quinolin-2-ylmethoxy)-benzyloxy]-2-(1H-tetra...)
Show SMILES O=C1CC(Oc2cc(OCc3cccc(OCc4ccc5ccccc5n4)c3)ccc12)c1nnn[nH]1
Show InChI InChI=1S/C27H21N5O4/c33-24-14-26(27-29-31-32-30-27)36-25-13-21(10-11-22(24)25)34-15-17-4-3-6-20(12-17)35-16-19-9-8-18-5-1-2-7-23(18)28-19/h1-13,26H,14-16H2,(H,29,30,31,32)
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 0.100n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.

J Med Chem 34: 1704-7 (1991)


BindingDB Entry DOI: 10.7270/Q2FJ2FR5
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50291855
PNG
(7-[3-(Quinolin-2-ylmethoxy)-phenoxymethyl]-2-(1H-t...)
Show SMILES O=C1CC(Oc2cc(COc3cccc(OCc4ccc5ccccc5n4)c3)ccc12)c1nnn[nH]1
Show InChI InChI=1S/C27H21N5O4/c33-24-14-26(27-29-31-32-30-27)36-25-12-17(8-11-22(24)25)15-34-20-5-3-6-21(13-20)35-16-19-10-9-18-4-1-2-7-23(18)28-19/h1-13,26H,14-16H2,(H,29,30,31,32)
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 0.120n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.

J Med Chem 34: 1704-7 (1991)


BindingDB Entry DOI: 10.7270/Q2FJ2FR5
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50291848
PNG
(7-{2-[3-(Quinolin-2-ylmethoxy)-phenyl]-ethyl}-2-(1...)
Show SMILES O=C1CC(Oc2cc(CCc3cccc(OCc4ccc5ccccc5n4)c3)ccc12)c1nnn[nH]1
Show InChI InChI=1S/C28H23N5O3/c34-25-16-27(28-30-32-33-31-28)36-26-15-19(10-13-23(25)26)9-8-18-4-3-6-22(14-18)35-17-21-12-11-20-5-1-2-7-24(20)29-21/h1-7,10-15,27H,8-9,16-17H2,(H,30,31,32,33)
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 0.300n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.

J Med Chem 34: 1704-7 (1991)


BindingDB Entry DOI: 10.7270/Q2FJ2FR5
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50009075
PNG
(CHEMBL22033 | ICI 198615 | ICI-198615 | [1-(4-Benz...)
Show SMILES COc1cc(ccc1Cn1ncc2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C28H28N4O6S/c1-37-26-15-19(27(33)31-39(35,36)24-9-3-2-4-10-24)11-12-21(26)18-32-25-16-22(14-13-20(25)17-29-32)30-28(34)38-23-7-5-6-8-23/h2-4,9-17,23H,5-8,18H2,1H3,(H,30,34)(H,31,33)
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 0.300n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.

J Med Chem 34: 1704-7 (1991)


BindingDB Entry DOI: 10.7270/Q2FJ2FR5
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50291849
PNG
(CHEMBL47662 | N-[4-Oxo-2-(1H-tetrazol-5-yl)-chroma...)
Show SMILES O=C(Nc1cccc2C(=O)CC(Oc12)c1nnn[nH]1)c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C27H20N6O4/c34-23-14-24(26-30-32-33-31-26)37-25-20(23)5-3-7-22(25)29-27(35)17-9-12-19(13-10-17)36-15-18-11-8-16-4-1-2-6-21(16)28-18/h1-13,24H,14-15H2,(H,29,35)(H,30,31,32,33)
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 1.10n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.

J Med Chem 34: 1704-7 (1991)


BindingDB Entry DOI: 10.7270/Q2FJ2FR5
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50291850
PNG
(3-{2-Methyl-4-oxo-7-[3-(quinolin-2-ylmethoxy)-benz...)
Show SMILES CC1(CCC(O)=O)CC(=O)c2ccc(OCc3cccc(OCc4ccc5ccccc5n4)c3)cc2O1
Show InChI InChI=1S/C30H27NO6/c1-30(14-13-29(33)34)17-27(32)25-12-11-24(16-28(25)37-30)35-18-20-5-4-7-23(15-20)36-19-22-10-9-21-6-2-3-8-26(21)31-22/h2-12,15-16H,13-14,17-19H2,1H3,(H,33,34)
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 1.20n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.

J Med Chem 34: 1704-7 (1991)


BindingDB Entry DOI: 10.7270/Q2FJ2FR5
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50291854
PNG
(4-Oxo-6-[3-(quinolin-2-ylmethoxy)-benzyloxy]-chrom...)
Show SMILES OC(=O)C1CC(=O)c2cc(OCc3cccc(OCc4ccc5ccccc5n4)c3)ccc2O1
Show InChI InChI=1S/C27H21NO6/c29-24-14-26(27(30)31)34-25-11-10-21(13-22(24)25)32-15-17-4-3-6-20(12-17)33-16-19-9-8-18-5-1-2-7-23(18)28-19/h1-13,26H,14-16H2,(H,30,31)
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 1.30n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.

J Med Chem 34: 1704-7 (1991)


BindingDB Entry DOI: 10.7270/Q2FJ2FR5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13304
PNG
(4-hydroxy-3-[((3S)-2-oxo-3-{[(5-pyridin-3-ylthien-...)
Show SMILES NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3cccnc3)C2=O)c1 |r|
Show InChI InChI=1S/C21H21N5O4S2/c22-20(23)13-3-4-17(27)15(10-13)12-26-9-7-16(21(26)28)25-32(29,30)19-6-5-18(31-19)14-2-1-8-24-11-14/h1-6,8,10-11,16,25,27H,7,9,12H2,(H3,22,23)/t16-/m0/s1
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 2n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50291856
PNG
(4-Oxo-7-[3-(quinolin-2-ylmethoxy)-benzyloxy]-chrom...)
Show SMILES OC(=O)C1CC(=O)c2ccc(OCc3cccc(OCc4ccc5ccccc5n4)c3)cc2O1
Show InChI InChI=1S/C27H21NO6/c29-24-14-26(27(30)31)34-25-13-21(10-11-22(24)25)32-15-17-4-3-6-20(12-17)33-16-19-9-8-18-5-1-2-7-23(18)28-19/h1-13,26H,14-16H2,(H,30,31)
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 2.10n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.

J Med Chem 34: 1704-7 (1991)


BindingDB Entry DOI: 10.7270/Q2FJ2FR5
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50291858
PNG
(7-{2-[3-(Quinolin-2-ylmethoxy)-phenyl]-vinyl}-2-(1...)
Show SMILES O=C1CC(Oc2cc(\C=C\c3cccc(OCc4ccc5ccccc5n4)c3)ccc12)c1nnn[nH]1
Show InChI InChI=1S/C28H21N5O3/c34-25-16-27(28-30-32-33-31-28)36-26-15-19(10-13-23(25)26)9-8-18-4-3-6-22(14-18)35-17-21-12-11-20-5-1-2-7-24(20)29-21/h1-15,27H,16-17H2,(H,30,31,32,33)/b9-8+
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 2.5n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.

J Med Chem 34: 1704-7 (1991)


BindingDB Entry DOI: 10.7270/Q2FJ2FR5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13306
PNG
(4-Hydroxy-3-[3-(S)-(5-isoxazol-3-ylthiophene-2-yls...)
Show SMILES NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3ccon3)C2=O)c1 |r|
Show InChI InChI=1S/C19H19N5O5S2/c20-18(21)11-1-2-15(25)12(9-11)10-24-7-5-14(19(24)26)23-31(27,28)17-4-3-16(30-17)13-6-8-29-22-13/h1-4,6,8-9,14,23,25H,5,7,10H2,(H3,20,21)/t14-/m0/s1
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 3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13286
PNG
(4-Hydroxy-3-[3-(S)-(7-methoxynaphthalen-2-ylsulfon...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(ccc2O)C(N)=N)C1=O |r|
Show InChI InChI=1S/C23H24N4O5S/c1-32-18-5-2-14-3-6-19(12-16(14)11-18)33(30,31)26-20-8-9-27(23(20)29)13-17-10-15(22(24)25)4-7-21(17)28/h2-7,10-12,20,26,28H,8-9,13H2,1H3,(H3,24,25)/t20-/m0/s1
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 3 -48.2n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
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



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.

J Med Chem 34: 1704-7 (1991)


BindingDB Entry DOI: 10.7270/Q2FJ2FR5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13283
PNG
(4-amino-3-({(3S)-3-[[(7-methoxy-2-naphthyl)sulfony...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2cc(ccc2N)C(N)=N)C1=O |r|
Show InChI InChI=1S/C24H27N5O4S/c1-28(34(31,32)20-7-4-15-3-6-19(33-2)12-17(15)13-20)22-9-10-29(24(22)30)14-18-11-16(23(26)27)5-8-21(18)25/h3-8,11-13,22H,9-10,14,25H2,1-2H3,(H3,26,27)/t22-/m0/s1
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 4 -47.5n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13303
PNG
(4-Amino-3-[2-oxo-3-(S)-(5-pyridin-3-ylthiophene-2-...)
Show SMILES NC(=N)c1ccc(N)c(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3cccnc3)C2=O)c1 |r|
Show InChI InChI=1S/C21H22N6O3S2/c22-16-4-3-13(20(23)24)10-15(16)12-27-9-7-17(21(27)28)26-32(29,30)19-6-5-18(31-19)14-2-1-8-25-11-14/h1-6,8,10-11,17,26H,7,9,12,22H2,(H3,23,24)/t17-/m0/s1
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 6n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13281
PNG
(4-Amino-3-[3-(S)-(7-methoxynaphthalen-2-ylsulfonyl...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(ccc2N)C(N)=N)C1=O |r|
Show InChI InChI=1S/C23H25N5O4S/c1-32-18-5-2-14-3-6-19(12-16(14)11-18)33(30,31)27-21-8-9-28(23(21)29)13-17-10-15(22(25)26)4-7-20(17)24/h2-7,10-12,21,27H,8-9,13,24H2,1H3,(H3,25,26)/t21-/m0/s1
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 6 -46.5n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50291853
PNG
(4-Oxo-7-[4-(quinolin-2-ylmethoxy)-phenoxymethyl]-c...)
Show SMILES OC(=O)C1CC(=O)c2ccc(COc3ccc(OCc4ccc5ccccc5n4)cc3)cc2O1
Show InChI InChI=1S/C27H21NO6/c29-24-14-26(27(30)31)34-25-13-17(5-12-22(24)25)15-32-20-8-10-21(11-9-20)33-16-19-7-6-18-3-1-2-4-23(18)28-19/h1-13,26H,14-16H2,(H,30,31)
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 6.30n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.

J Med Chem 34: 1704-7 (1991)


BindingDB Entry DOI: 10.7270/Q2FJ2FR5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13279
PNG
(4-{[(3S)-3-[(7-methoxynaphthalene-2-)(methyl)sulfo...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2csc(c2)C(N)=N)C1=O |r|
Show InChI InChI=1S/C22H24N4O4S2/c1-25(19-7-8-26(22(19)27)12-14-9-20(21(23)24)31-13-14)32(28,29)18-6-4-15-3-5-17(30-2)10-16(15)11-18/h3-6,9-11,13,19H,7-8,12H2,1-2H3,(H3,23,24)/t19-/m0/s1
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 6.90 -46.1n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13305
PNG
(4-Amino-3-[3-(S)-(5-isoxazol-3-ylthiophene-2-ylsul...)
Show SMILES NC(=N)c1ccc(N)c(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3ccon3)C2=O)c1 |r|
Show InChI InChI=1S/C19H20N6O4S2/c20-13-2-1-11(18(21)22)9-12(13)10-25-7-5-15(19(25)26)24-31(27,28)17-4-3-16(30-17)14-6-8-29-23-14/h1-4,6,8-9,15,24H,5,7,10,20H2,(H3,21,22)/t15-/m0/s1
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 7n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13288
PNG
(Sulfonamidopyrrolidinone 27 | methyl 2-(4-carbamim...)
Show SMILES COC(=O)COc1ccc(cc1CN1CC[C@H](NS(=O)(=O)c2ccc3ccc(OC)cc3c2)C1=O)C(N)=N |r|
Show InChI InChI=1S/C26H28N4O7S/c1-35-20-6-3-16-4-7-21(13-18(16)12-20)38(33,34)29-22-9-10-30(26(22)32)14-19-11-17(25(27)28)5-8-23(19)37-15-24(31)36-2/h3-8,11-13,22,29H,9-10,14-15H2,1-2H3,(H3,27,28)/t22-/m0/s1
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 8 -45.7n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM13288
PNG
(Sulfonamidopyrrolidinone 27 | methyl 2-(4-carbamim...)
Show SMILES COC(=O)COc1ccc(cc1CN1CC[C@H](NS(=O)(=O)c2ccc3ccc(OC)cc3c2)C1=O)C(N)=N |r|
Show InChI InChI=1S/C26H28N4O7S/c1-35-20-6-3-16-4-7-21(13-18(16)12-20)38(33,34)29-22-9-10-30(26(22)32)14-19-11-17(25(27)28)5-8-23(19)37-15-24(31)36-2/h3-8,11-13,22,29H,9-10,14-15H2,1-2H3,(H3,27,28)/t22-/m0/s1
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 12 -44.8n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50291859
PNG
(4-Oxo-8-[4-(quinolin-2-ylmethoxy)-phenoxymethyl]-c...)
Show SMILES OC(=O)C1CC(=O)c2cccc(COc3ccc(OCc4ccc5ccccc5n4)cc3)c2O1
Show InChI InChI=1S/C27H21NO6/c29-24-14-25(27(30)31)34-26-18(5-3-6-22(24)26)15-32-20-10-12-21(13-11-20)33-16-19-9-8-17-4-1-2-7-23(17)28-19/h1-13,25H,14-16H2,(H,30,31)
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 13n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.

J Med Chem 34: 1704-7 (1991)


BindingDB Entry DOI: 10.7270/Q2FJ2FR5
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50291851
PNG
(8-[4-(Quinolin-2-ylmethoxy)-phenoxymethyl]-2-(1H-t...)
Show SMILES O=C1CC(Oc2c(COc3ccc(OCc4ccc5ccccc5n4)cc3)cccc12)c1nnn[nH]1
Show InChI InChI=1S/C27H21N5O4/c33-24-14-25(27-29-31-32-30-27)36-26-18(5-3-6-22(24)26)15-34-20-10-12-21(13-11-20)35-16-19-9-8-17-4-1-2-7-23(17)28-19/h1-13,25H,14-16H2,(H,29,30,31,32)
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 15n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.

J Med Chem 34: 1704-7 (1991)


BindingDB Entry DOI: 10.7270/Q2FJ2FR5
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50291857
PNG
(6-Chloro-4-oxo-5-[4-(quinolin-2-ylmethoxy)-benzylo...)
Show SMILES OC(=O)C1CC(=O)c2c(O1)ccc(Cl)c2OCc1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C27H20ClNO6/c28-20-11-12-23-25(22(30)13-24(35-23)27(31)32)26(20)34-14-16-5-9-19(10-6-16)33-15-18-8-7-17-3-1-2-4-21(17)29-18/h1-12,24H,13-15H2,(H,31,32)
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 18n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.

J Med Chem 34: 1704-7 (1991)


BindingDB Entry DOI: 10.7270/Q2FJ2FR5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13282
PNG
(3-{[(3S)-3-[(7-methoxynaphthalene-2-)(methyl)sulfo...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O |r|
Show InChI InChI=1S/C24H26N4O4S/c1-27(33(30,31)21-9-7-17-6-8-20(32-2)13-19(17)14-21)22-10-11-28(24(22)29)15-16-4-3-5-18(12-16)23(25)26/h3-9,12-14,22H,10-11,15H2,1-2H3,(H3,25,26)/t22-/m0/s1
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 22 -43.3n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50296936
PNG
(16-[(3-Fluorophenyl)methylidene]-17beta-hydroxy-4-...)
Show SMILES CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cccc(F)c5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:30|
Show InChI InChI=1S/C26H32FNO2/c1-25-12-10-23(29)28(3)22(25)8-7-19-20(25)9-11-26(2)21(19)15-17(24(26)30)13-16-5-4-6-18(27)14-16/h4-6,10,12-14,19-22,24,30H,7-9,11,15H2,1-3H3/b17-13+/t19-,20+,21+,22-,24+,25-,26+/m1/s1
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 29n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human ERG potassium channel

J Med Chem 52: 4578-81 (2009)


Article DOI: 10.1021/jm900880r
BindingDB Entry DOI: 10.7270/Q2K35TPQ
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)		BDBM50291852
PNG
(4-Oxo-7-[3-(quinolin-2-ylmethoxy)-phenoxymethyl]-c...)
Show SMILES CCOC(=O)C1CC(=O)c2ccc(COc3cccc(OCc4ccc5ccccc5n4)c3)cc2O1
Show InChI InChI=1S/C29H25NO6/c1-2-33-29(32)28-16-26(31)24-13-10-19(14-27(24)36-28)17-34-22-7-5-8-23(15-22)35-18-21-12-11-20-6-3-4-9-25(20)30-21/h3-15,28H,2,16-18H2,1H3
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 30n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.

J Med Chem 34: 1704-7 (1991)


BindingDB Entry DOI: 10.7270/Q2FJ2FR5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13298
PNG
(3-[2-Oxo-3-(S)-(5-pyridin-3-ylthiophene-2-ylsulfon...)
Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3cccnc3)C2=O)c1 |r|
Show InChI InChI=1S/C21H21N5O3S2/c22-20(23)15-4-1-3-14(11-15)13-26-10-8-17(21(26)27)25-31(28,29)19-7-6-18(30-19)16-5-2-9-24-12-16/h1-7,9,11-12,17,25H,8,10,13H2,(H3,22,23)/t17-/m0/s1
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 41n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50296937
PNG
(16-[(3,5-Difluorophenyl)methylidene]-17beta-hydrox...)
Show SMILES CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cc(F)cc(F)c5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:31|
Show InChI InChI=1S/C26H31F2NO2/c1-25-9-7-23(30)29(3)22(25)5-4-19-20(25)6-8-26(2)21(19)13-16(24(26)31)10-15-11-17(27)14-18(28)12-15/h7,9-12,14,19-22,24,31H,4-6,8,13H2,1-3H3/b16-10+/t19-,20+,21+,22-,24+,25-,26+/m1/s1
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 46n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human ERG potassium channel

J Med Chem 52: 4578-81 (2009)


Article DOI: 10.1021/jm900880r
BindingDB Entry DOI: 10.7270/Q2K35TPQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13280
PNG
(3-{[(3S)-3-[(7-methoxynaphthalene-2-)sulfonamido]-...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O |r|
Show InChI InChI=1S/C23H24N4O4S/c1-31-19-7-5-16-6-8-20(13-18(16)12-19)32(29,30)26-21-9-10-27(23(21)28)14-15-3-2-4-17(11-15)22(24)25/h2-8,11-13,21,26H,9-10,14H2,1H3,(H3,24,25)/t21-/m0/s1
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 47 -41.4n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13301
PNG
(3-[3-(S)-(5-Isoxazol-3-ylthiophene-2-ylsulfonylami...)
Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3ccon3)C2=O)c1 |r|
Show InChI InChI=1S/C19H19N5O4S2/c20-18(21)13-3-1-2-12(10-13)11-24-8-6-15(19(24)25)23-30(26,27)17-5-4-16(29-17)14-7-9-28-22-14/h1-5,7,9-10,15,23H,6,8,11H2,(H3,20,21)/t15-/m0/s1
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 49n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13299
PNG
(3-[2-Oxo-3-(S)-(5-pyridin-4-ylthiophene-2-ylsulfon...)
Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3ccncc3)C2=O)c1 |r|
Show InChI InChI=1S/C21H21N5O3S2/c22-20(23)16-3-1-2-14(12-16)13-26-11-8-17(21(26)27)25-31(28,29)19-5-4-18(30-19)15-6-9-24-10-7-15/h1-7,9-10,12,17,25H,8,11,13H2,(H3,22,23)/t17-/m0/s1
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 55n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13302
PNG
(4-fluoro-3-[((3S)-2-oxo-3-{[(5-pyridin-3-ylthien-2...)
Show SMILES NC(=N)c1ccc(F)c(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3cccnc3)C2=O)c1 |r|
Show InChI InChI=1S/C21H20FN5O3S2/c22-16-4-3-13(20(23)24)10-15(16)12-27-9-7-17(21(27)28)26-32(29,30)19-6-5-18(31-19)14-2-1-8-25-11-14/h1-6,8,10-11,17,26H,7,9,12H2,(H3,23,24)/t17-/m0/s1
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 130n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13293
PNG
(3-{[(3S)-2-oxo-3-{[4-(pyridin-4-yl)benzene]sulfona...)
Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(cc3)-c3ccncc3)C2=O)c1 |r|
Show InChI InChI=1S/C23H23N5O3S/c24-22(25)19-3-1-2-16(14-19)15-28-13-10-21(23(28)29)27-32(30,31)20-6-4-17(5-7-20)18-8-11-26-12-9-18/h1-9,11-12,14,21,27H,10,13,15H2,(H3,24,25)/t21-/m0/s1
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 130n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13297
PNG
(3-{[(3S)-2-oxo-3-{[5-(pyridin-2-yl)thiophene-2-]su...)
Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3ccccn3)C2=O)c1 |r|
Show InChI InChI=1S/C21H21N5O3S2/c22-20(23)15-5-3-4-14(12-15)13-26-11-9-17(21(26)27)25-31(28,29)19-8-7-18(30-19)16-6-1-2-10-24-16/h1-8,10,12,17,25H,9,11,13H2,(H3,22,23)/t17-/m0/s1
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 140n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13291
PNG
(3-{[(3S)-2-oxo-3-{[4-(pyridin-2-yl)benzene]sulfona...)
Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(cc3)-c3ccccn3)C2=O)c1 |r|
Show InChI InChI=1S/C23H23N5O3S/c24-22(25)18-5-3-4-16(14-18)15-28-13-11-21(23(28)29)27-32(30,31)19-9-7-17(8-10-19)20-6-1-2-12-26-20/h1-10,12,14,21,27H,11,13,15H2,(H3,24,25)/t21-/m0/s1
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 150 -38.6n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13300
PNG
(3-{[(3S)-3-{[5-(2-methoxypyrimidin-4-yl)thiophene-...)
Show SMILES COc1nccc(n1)-c1ccc(s1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O |r|
Show InChI InChI=1S/C21H22N6O4S2/c1-31-21-24-9-7-15(25-21)17-5-6-18(32-17)33(29,30)26-16-8-10-27(20(16)28)12-13-3-2-4-14(11-13)19(22)23/h2-7,9,11,16,26H,8,10,12H2,1H3,(H3,22,23)/t16-/m0/s1
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 150n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13290
PNG
(3-{[(3S)-2-oxo-3-[(4-phenylbenzene)sulfonamido]pyr...)
Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(cc3)-c3ccccc3)C2=O)c1 |r|
Show InChI InChI=1S/C24H24N4O3S/c25-23(26)20-8-4-5-17(15-20)16-28-14-13-22(24(28)29)27-32(30,31)21-11-9-19(10-12-21)18-6-2-1-3-7-18/h1-12,15,22,27H,13-14,16H2,(H3,25,26)/t22-/m0/s1
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 160 -38.4n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM13283
PNG
(4-amino-3-({(3S)-3-[[(7-methoxy-2-naphthyl)sulfony...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2cc(ccc2N)C(N)=N)C1=O |r|
Show InChI InChI=1S/C24H27N5O4S/c1-28(34(31,32)20-7-4-15-3-6-19(33-2)12-17(15)13-20)22-9-10-29(24(22)30)14-18-11-16(23(26)27)5-8-21(18)25/h3-8,11-13,22H,9-10,14,25H2,1-2H3,(H3,26,27)/t22-/m0/s1
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 189 -38.0n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13292
PNG
(3-{[(3S)-2-oxo-3-{[4-(pyridin-3-yl)benzene]sulfona...)
Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(cc3)-c3cccnc3)C2=O)c1 |r|
Show InChI InChI=1S/C23H23N5O3S/c24-22(25)18-4-1-3-16(13-18)15-28-12-10-21(23(28)29)27-32(30,31)20-8-6-17(7-9-20)19-5-2-11-26-14-19/h1-9,11,13-14,21,27H,10,12,15H2,(H3,24,25)/t21-/m0/s1
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 210n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50296938
PNG
(16-(Phenylmethylidene)-17beta-hydroxy-4-methyl-4-a...)
Show SMILES CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5ccccc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29|
Show InChI InChI=1S/C26H33NO2/c1-25-14-12-23(28)27(3)22(25)10-9-19-20(25)11-13-26(2)21(19)16-18(24(26)29)15-17-7-5-4-6-8-17/h4-8,12,14-15,19-22,24,29H,9-11,13,16H2,1-3H3/b18-15+/t19-,20+,21+,22-,24+,25-,26+/m1/s1
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 225n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human ERG potassium channel

J Med Chem 52: 4578-81 (2009)


Article DOI: 10.1021/jm900880r
BindingDB Entry DOI: 10.7270/Q2K35TPQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50296935
PNG
(16alpha-(3-Fluorobenzyl)-17beta-hydroxy-4-methyl-4...)
Show SMILES CN1[C@@H]2CC[C@H]3[C@@H]4C[C@@H](Cc5cccc(F)c5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:30|
Show InChI InChI=1S/C26H34FNO2/c1-25-12-10-23(29)28(3)22(25)8-7-19-20(25)9-11-26(2)21(19)15-17(24(26)30)13-16-5-4-6-18(27)14-16/h4-6,10,12,14,17,19-22,24,30H,7-9,11,13,15H2,1-3H3/t17-,19-,20+,21+,22-,24+,25-,26+/m1/s1
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 240n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human ERG potassium channel

J Med Chem 52: 4578-81 (2009)


Article DOI: 10.1021/jm900880r
BindingDB Entry DOI: 10.7270/Q2K35TPQ
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM13281
PNG
(4-Amino-3-[3-(S)-(7-methoxynaphthalen-2-ylsulfonyl...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(ccc2N)C(N)=N)C1=O |r|
Show InChI InChI=1S/C23H25N5O4S/c1-32-18-5-2-14-3-6-19(12-16(14)11-18)33(30,31)27-21-8-9-28(23(21)29)13-17-10-15(22(25)26)4-7-20(17)24/h2-7,10-12,21,27H,8-9,13,24H2,1H3,(H3,25,26)/t21-/m0/s1
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 299 -36.9n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM13286
PNG
(4-Hydroxy-3-[3-(S)-(7-methoxynaphthalen-2-ylsulfon...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(ccc2O)C(N)=N)C1=O |r|
Show InChI InChI=1S/C23H24N4O5S/c1-32-18-5-2-14-3-6-19(12-16(14)11-18)33(30,31)26-20-8-9-27(23(20)29)13-17-10-15(22(24)25)4-7-21(17)28/h2-7,10-12,20,26,28H,8-9,13H2,1H3,(H3,24,25)/t20-/m0/s1
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 305 -36.8n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50296941
PNG
(16-(Pyridin-4-ylmethylidene)-17beta-hydroxy-4-meth...)
Show SMILES CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5ccncc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29|
Show InChI InChI=1S/C25H32N2O2/c1-24-11-7-22(28)27(3)21(24)5-4-18-19(24)6-10-25(2)20(18)15-17(23(25)29)14-16-8-12-26-13-9-16/h7-9,11-14,18-21,23,29H,4-6,10,15H2,1-3H3/b17-14+/t18-,19+,20+,21-,23+,24-,25+/m1/s1
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 320n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human ERG potassium channel

J Med Chem 52: 4578-81 (2009)


Article DOI: 10.1021/jm900880r
BindingDB Entry DOI: 10.7270/Q2K35TPQ
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13295
PNG
(4-(4-{[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-ox...)
Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(cc3)-c3cc[n+]([O-])cc3)C2=O)c1 |r|
Show InChI InChI=1S/C23H23N5O4S/c24-22(25)19-3-1-2-16(14-19)15-27-11-10-21(23(27)29)26-33(31,32)20-6-4-17(5-7-20)18-8-12-28(30)13-9-18/h1-9,12-14,21,26H,10-11,15H2,(H3,24,25)/t21-/m0/s1
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 330n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
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



Rhone-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Binding affinity against LTD4 receptor in guinea pig lung membranes.

J Med Chem 34: 1704-7 (1991)


BindingDB Entry DOI: 10.7270/Q2FJ2FR5
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM13282
PNG
(3-{[(3S)-3-[(7-methoxynaphthalene-2-)(methyl)sulfo...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O |r|
Show InChI InChI=1S/C24H26N4O4S/c1-27(33(30,31)21-9-7-17-6-8-20(32-2)13-19(17)14-21)22-10-11-28(24(22)29)15-16-4-3-5-18(12-16)23(25)26/h3-9,12-14,22H,10-11,15H2,1-2H3,(H3,25,26)/t22-/m0/s1
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 704 -34.8n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))		BDBM13280
PNG
(3-{[(3S)-3-[(7-methoxynaphthalene-2-)sulfonamido]-...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O |r|
Show InChI InChI=1S/C23H24N4O4S/c1-31-19-7-5-16-6-8-20(13-18(16)12-19)32(29,30)26-21-9-10-27(23(21)28)14-15-3-2-4-17(11-15)22(24)25/h2-8,11-13,21,26H,9-10,14H2,1H3,(H3,24,25)/t21-/m0/s1
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 853 -34.3n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM13284
PNG
(N-(4-carbamimidoyl-2-{[(3S)-3-[(7-methoxynaphthale...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2cc(ccc2NC(C)=O)C(N)=N)C1=O |r|
Show InChI InChI=1S/C26H29N5O5S/c1-16(32)29-23-9-6-18(25(27)28)12-20(23)15-31-11-10-24(26(31)33)30(2)37(34,35)22-8-5-17-4-7-21(36-3)13-19(17)14-22/h4-9,12-14,24H,10-11,15H2,1-3H3,(H3,27,28)(H,29,32)/t24-/m0/s1
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 919 -34.1n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...

J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
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