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Compile Data Set for Download or QSAR

Found 53 hits of ki data for polymerid = 50001896,50006589   
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
Acrosin


(Sus scrofa)		BDBM50010103
PNG
(CHEMBL2418042)
Show SMILES NC(=N)c1cc(I)c(OCc2cccc(c2)[N+]([O-])=O)c(I)c1
Show InChI InChI=1S/C14H11I2N3O3/c15-11-5-9(14(17)18)6-12(16)13(11)22-7-8-2-1-3-10(4-8)19(20)21/h1-6H,7H2,(H3,17,18)
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 45n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010128
PNG
(CHEMBL3245416)
Show SMILES NC(=N)c1ccc(OCCCCCCCCCCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C28H42N4O2/c29-27(30)23-13-17-25(18-14-23)33-21-11-9-7-5-3-1-2-4-6-8-10-12-22-34-26-19-15-24(16-20-26)28(31)32/h13-20H,1-12,21-22H2,(H3,29,30)(H3,31,32)
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 130n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010110
PNG
(CHEMBL2417998)
Show SMILES NC(=N)c1cccc(COc2c(I)cc(cc2I)C(N)=N)c1
Show InChI InChI=1S/C15H14I2N4O/c16-11-5-10(15(20)21)6-12(17)13(11)22-7-8-2-1-3-9(4-8)14(18)19/h1-6H,7H2,(H3,18,19)(H3,20,21)
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 190n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010136
PNG
(CHEMBL3245422)
Show SMILES NC(=N)c1ccc(OCc2cccc(c2)-c2cccc(COc3ccc(cc3Br)C(N)=N)c2)c(Br)c1
Show InChI InChI=1S/C28H24Br2N4O2/c29-23-13-21(27(31)32)7-9-25(23)35-15-17-3-1-5-19(11-17)20-6-2-4-18(12-20)16-36-26-10-8-22(28(33)34)14-24(26)30/h1-14H,15-16H2,(H3,31,32)(H3,33,34)
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 210n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010126
PNG
(CHEMBL3245414)
Show SMILES NC(=N)c1ccc(OCCCCCCCCCCOc2ccc(cc2Br)C(N)=N)c(Br)c1
Show InChI InChI=1S/C24H32Br2N4O2/c25-19-15-17(23(27)28)9-11-21(19)31-13-7-5-3-1-2-4-6-8-14-32-22-12-10-18(24(29)30)16-20(22)26/h9-12,15-16H,1-8,13-14H2,(H3,27,28)(H3,29,30)
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 260n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010124
PNG
(CHEMBL3245412)
Show SMILES NC(=N)c1ccc(OCCCCCCCCOc2ccc(cc2I)C(N)=N)c(I)c1
Show InChI InChI=1S/C22H28I2N4O2/c23-17-13-15(21(25)26)7-9-19(17)29-11-5-3-1-2-4-6-12-30-20-10-8-16(22(27)28)14-18(20)24/h7-10,13-14H,1-6,11-12H2,(H3,25,26)(H3,27,28)
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 260n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010118
PNG
(CHEMBL3245406)
Show SMILES NC(=N)c1ccc(OCCCCCOc2cccc(c2)[N+]([O-])=O)c(I)c1
Show InChI InChI=1S/C18H20IN3O4/c19-16-11-13(18(20)21)7-8-17(16)26-10-3-1-2-9-25-15-6-4-5-14(12-15)22(23)24/h4-8,11-12H,1-3,9-10H2,(H3,20,21)
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 270n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010113
PNG
(CHEMBL3245402)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccccc2)cc1
Show InChI InChI=1S/C18H22N2O2/c19-18(20)15-9-11-17(12-10-15)22-14-6-2-5-13-21-16-7-3-1-4-8-16/h1,3-4,7-12H,2,5-6,13-14H2,(H3,19,20)
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 280n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50379838
PNG
(CHEMBL2011750)
Show SMILES NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3I)C(N)=N)cc2)c(I)c1
Show InChI InChI=1S/C22H20I2N4O2/c23-17-9-15(21(25)26)5-7-19(17)29-11-13-1-2-14(4-3-13)12-30-20-8-6-16(22(27)28)10-18(20)24/h1-10H,11-12H2,(H3,25,26)(H3,27,28)
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 280n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010104
PNG
(CHEMBL2418010)
Show SMILES NC(=N)c1ccc(COc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C15H16N4O/c16-14(17)11-6-4-10(5-7-11)9-20-13-3-1-2-12(8-13)15(18)19/h1-8H,9H2,(H3,16,17)(H3,18,19)
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 290n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010092
PNG
(CHEMBL2418041)
Show SMILES NC(=N)c1ccc(OCc2ccc(cc2)[N+]([O-])=O)c(I)c1
Show InChI InChI=1S/C14H12IN3O3/c15-12-7-10(14(16)17)3-6-13(12)21-8-9-1-4-11(5-2-9)18(19)20/h1-7H,8H2,(H3,16,17)
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 300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010127
PNG
(CHEMBL3245415)
Show SMILES NC(=N)c1ccc(OCCCCCCCCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C26H38N4O2/c27-25(28)21-11-15-23(16-12-21)31-19-9-7-5-3-1-2-4-6-8-10-20-32-24-17-13-22(14-18-24)26(29)30/h11-18H,1-10,19-20H2,(H3,27,28)(H3,29,30)
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 440n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010109
PNG
(CHEMBL2418035)
Show SMILES NC(=N)c1cccc(COc2c(Cl)cc(cc2Cl)C(N)=N)c1
Show InChI InChI=1S/C15H14Cl2N4O/c16-11-5-10(15(20)21)6-12(17)13(11)22-7-8-2-1-3-9(4-8)14(18)19/h1-6H,7H2,(H3,18,19)(H3,20,21)
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 440n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010107
PNG
(CHEMBL2418015)
Show SMILES NC(=N)c1ccc(COc2ccc(cc2I)C(N)=N)cc1
Show InChI InChI=1S/C15H15IN4O/c16-12-7-11(15(19)20)5-6-13(12)21-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8H2,(H3,17,18)(H3,19,20)
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 450n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010105
PNG
(CHEMBL2418051)
Show SMILES NC(=N)c1ccc(COc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C15H16N4O/c16-14(17)11-3-1-10(2-4-11)9-20-13-7-5-12(6-8-13)15(18)19/h1-8H,9H2,(H3,16,17)(H3,18,19)
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 480n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010125
PNG
(CHEMBL3245413)
Show SMILES NC(=N)c1ccc(OCCCCCCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C24H34N4O2/c25-23(26)19-9-13-21(14-10-19)29-17-7-5-3-1-2-4-6-8-18-30-22-15-11-20(12-16-22)24(27)28/h9-16H,1-8,17-18H2,(H3,25,26)(H3,27,28)
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 560n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010134
PNG
(CHEMBL3245421)
Show SMILES NC(=N)c1cccc(OCc2cc(COc3cccc(c3)C(N)=N)cc(COc3cccc(c3)C(N)=N)c2)c1
Show InChI InChI=1S/C30H30N6O3/c31-28(32)22-4-1-7-25(13-22)37-16-19-10-20(17-38-26-8-2-5-23(14-26)29(33)34)12-21(11-19)18-39-27-9-3-6-24(15-27)30(35)36/h1-15H,16-18H2,(H3,31,32)(H3,33,34)(H3,35,36)
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 560n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010120
PNG
(CHEMBL3245408)
Show SMILES NC(=N)c1cccc(OCCCCCOc2ccc(N)cc2)c1
Show InChI InChI=1S/C18H23N3O2/c19-15-7-9-16(10-8-15)22-11-2-1-3-12-23-17-6-4-5-14(13-17)18(20)21/h4-10,13H,1-3,11-12,19H2,(H3,20,21)
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 560n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010112
PNG
(CHEMBL3245401)
Show SMILES NC(=N)c1ccc(OCCCOc2c(Br)cc(cc2Br)C(N)=N)cc1
Show InChI InChI=1S/C17H18Br2N4O2/c18-13-8-11(17(22)23)9-14(19)15(13)25-7-1-6-24-12-4-2-10(3-5-12)16(20)21/h2-5,8-9H,1,6-7H2,(H3,20,21)(H3,22,23)
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 570n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010088
PNG
(CHEMBL2418049)
Show SMILES NC(=N)c1ccc(COc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C14H13N3O3/c15-14(16)11-6-4-10(5-7-11)9-20-13-3-1-2-12(8-13)17(18)19/h1-8H,9H2,(H3,15,16)
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 610n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010130
PNG
(CHEMBL3245418)
Show SMILES NC(=N)c1ccc(OCc2cc(COc3ccc(cc3I)C(N)=N)cc(COc3ccc(cc3I)C(N)=N)c2)c(I)c1
Show InChI InChI=1S/C30H27I3N6O3/c31-22-10-19(28(34)35)1-4-25(22)40-13-16-7-17(14-41-26-5-2-20(29(36)37)11-23(26)32)9-18(8-16)15-42-27-6-3-21(30(38)39)12-24(27)33/h1-12H,13-15H2,(H3,34,35)(H3,36,37)(H3,38,39)
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 640n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010111
PNG
(CHEMBL3245400)
Show SMILES NC(=N)c1ccc(OCCCOc2ccc(cc2I)C(N)=N)cc1
Show InChI InChI=1S/C17H19IN4O2/c18-14-10-12(17(21)22)4-7-15(14)24-9-1-8-23-13-5-2-11(3-6-13)16(19)20/h2-7,10H,1,8-9H2,(H3,19,20)(H3,21,22)
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 680n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010119
PNG
(CHEMBL3245407)
Show SMILES NC(=N)c1cccc(OCCCCCOc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C18H21N3O4/c19-18(20)14-5-4-6-17(13-14)25-12-3-1-2-11-24-16-9-7-15(8-10-16)21(22)23/h4-10,13H,1-3,11-12H2,(H3,19,20)
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 680n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010106
PNG
(CHEMBL2418012)
Show SMILES NC(=N)c1ccc(COc2ccc(cc2Br)C(N)=N)cc1
Show InChI InChI=1S/C15H15BrN4O/c16-12-7-11(15(19)20)5-6-13(12)21-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8H2,(H3,17,18)(H3,19,20)
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 680n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010089
PNG
(CHEMBL3245397)
Show SMILES NC(=N)c1cccc(COc2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C14H13N3O3/c15-14(16)11-3-1-2-10(8-11)9-20-13-6-4-12(5-7-13)17(18)19/h1-8H,9H2,(H3,15,16)
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 760n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010115
PNG
(CHEMBL3245403)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H21N3O4/c19-18(20)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)21(22)23/h4-11H,1-3,12-13H2,(H3,19,20)
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 860n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010090
PNG
(CHEMBL2418050)
Show SMILES NC(=N)c1cccc(COc2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C14H13N3O3/c15-14(16)11-4-1-3-10(7-11)9-20-13-6-2-5-12(8-13)17(18)19/h1-8H,9H2,(H3,15,16)
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 860n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010082
PNG
(CHEMBL2418045)
Show SMILES NC(=N)c1ccc(COc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C14H13ClN2O/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-8H,9H2,(H3,16,17)
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 950n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010116
PNG
(CHEMBL3245404)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2I)C(N)=N)c(I)c1
Show InChI InChI=1S/C19H22I2N4O2/c20-14-10-12(18(22)23)4-6-16(14)26-8-2-1-3-9-27-17-7-5-13(19(24)25)11-15(17)21/h4-7,10-11H,1-3,8-9H2,(H3,22,23)(H3,24,25)
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 1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010121
PNG
(CHEMBL3245409)
Show SMILES NC(=N)c1ccc(OCCCCCOc2cccc(c2)C(N)=N)c(I)c1
Show InChI InChI=1S/C19H23IN4O2/c20-16-12-14(19(23)24)7-8-17(16)26-10-3-1-2-9-25-15-6-4-5-13(11-15)18(21)22/h4-8,11-12H,1-3,9-10H2,(H3,21,22)(H3,23,24)
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 1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010122
PNG
(CHEMBL3245410)
Show SMILES NC(=N)c1ccc(OCCCCCCCCOc2ccccc2)cc1
Show InChI InChI=1S/C21H28N2O2/c22-21(23)18-12-14-20(15-13-18)25-17-9-4-2-1-3-8-16-24-19-10-6-5-7-11-19/h5-7,10-15H,1-4,8-9,16-17H2,(H3,22,23)
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 1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010108
PNG
(CHEMBL2418029)
Show SMILES NC(=N)c1cccc(COc2ccc(cc2Br)C(N)=N)c1
Show InChI InChI=1S/C15H15BrN4O/c16-12-7-11(15(19)20)4-5-13(12)21-8-9-2-1-3-10(6-9)14(17)18/h1-7H,8H2,(H3,17,18)(H3,19,20)
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 1.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010083
PNG
(CHEMBL2418046)
Show SMILES CC(C)c1ccc(OCc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C17H20N2O/c1-12(2)14-7-9-16(10-8-14)20-11-13-3-5-15(6-4-13)17(18)19/h3-10,12H,11H2,1-2H3,(H3,18,19)
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 1.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010117
PNG
(CHEMBL3245405)
Show SMILES NC(=N)c1ccc(OCCCCCOc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H21N3O4/c19-18(20)14-7-9-16(10-8-14)24-11-2-1-3-12-25-17-6-4-5-15(13-17)21(22)23/h4-10,13H,1-3,11-12H2,(H3,19,20)
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 1.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010123
PNG
(CHEMBL3245411)
Show SMILES NC(=N)c1ccc(OCCCCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C22H30N4O2/c23-21(24)17-7-11-19(12-8-17)27-15-5-3-1-2-4-6-16-28-20-13-9-18(10-14-20)22(25)26/h7-14H,1-6,15-16H2,(H3,23,24)(H3,25,26)
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 1.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010129
PNG
(CHEMBL3245417)
Show SMILES NC(=N)c1ccc(OCc2cc(COc3ccc(cc3)C(N)=N)cc(COc3ccc(cc3)C(N)=N)c2)cc1
Show InChI InChI=1S/C30H30N6O3/c31-28(32)22-1-7-25(8-2-22)37-16-19-13-20(17-38-26-9-3-23(4-10-26)29(33)34)15-21(14-19)18-39-27-11-5-24(6-12-27)30(35)36/h1-15H,16-18H2,(H3,31,32)(H3,33,34)(H3,35,36)
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 1.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010091
PNG
(CHEMBL3245398)
Show SMILES NC(=N)c1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C14H13N3O3/c15-14(16)11-3-7-13(8-4-11)20-9-10-1-5-12(6-2-10)17(18)19/h1-8H,9H2,(H3,15,16)
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 1.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010133
PNG
(CHEMBL3245420)
Show SMILES NC(=N)c1ccc(OCc2cc(COc3ccc(cc3)[N+]([O-])=O)cc(COc3ccc(cc3Cl)C(N)=N)c2)c(Cl)c1
Show InChI InChI=1S/C29H25Cl2N5O5/c30-24-12-20(28(32)33)1-7-26(24)40-15-18-9-17(14-39-23-5-3-22(4-6-23)36(37)38)10-19(11-18)16-41-27-8-2-21(29(34)35)13-25(27)31/h1-13H,14-16H2,(H3,32,33)(H3,34,35)
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 1.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010131
PNG
(CHEMBL3245419)
Show SMILES NC(=N)c1ccc(OCc2cc(COc3ccc(cc3)C(N)=N)cc(COc3ccc(cc3)[N+]([O-])=O)c2)cc1
Show InChI InChI=1S/C29H27N5O5/c30-28(31)22-1-7-25(8-2-22)37-16-19-13-20(17-38-26-9-3-23(4-10-26)29(32)33)15-21(14-19)18-39-27-11-5-24(6-12-27)34(35)36/h1-15H,16-18H2,(H3,30,31)(H3,32,33)
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 1.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010084
PNG
(CHEMBL2418047)
Show SMILES COc1ccc(OCc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C15H16N2O2/c1-18-13-6-8-14(9-7-13)19-10-11-2-4-12(5-3-11)15(16)17/h2-9H,10H2,1H3,(H3,16,17)
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 1.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010080
PNG
(CHEMBL3245395)
Show SMILES NC(=N)c1ccc(COc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)12-2-1-3-13(8-12)21-9-10-4-6-11(7-5-10)14(19)20/h1-8H,9H2,(H3,19,20)
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 1.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50098554
PNG
(4-(3-{4-[amino(imino)methyl]-2-bromophenoxy}propox...)
Show SMILES NC(=N)c1ccc(OCCCOc2ccc(cc2Br)C(N)=N)c(Br)c1
Show InChI InChI=1S/C17H18Br2N4O2/c18-12-8-10(16(20)21)2-4-14(12)24-6-1-7-25-15-5-3-11(17(22)23)9-13(15)19/h2-5,8-9H,1,6-7H2,(H3,20,21)(H3,22,23)
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 1.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010081
PNG
(CHEMBL3245396)
Show SMILES CN(C)c1cccc(OCc2ccc(C(N)=N)c(C)c2)c1
Show InChI InChI=1S/C17H21N3O/c1-12-9-13(7-8-16(12)17(18)19)11-21-15-6-4-5-14(10-15)20(2)3/h4-10H,11H2,1-3H3,(H3,18,19)
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 1.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010114
PNG
(CHEMBL1187216)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(N)cc2)cc1
Show InChI InChI=1S/C18H23N3O2/c19-15-6-10-17(11-7-15)23-13-3-1-2-12-22-16-8-4-14(5-9-16)18(20)21/h4-11H,1-3,12-13,19H2,(H3,20,21)
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 2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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 2.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010135
PNG
(CHEMBL548400)
Show SMILES NC(=N)c1ccc(OCc2cccc(COc3ccc(cc3I)C(N)=N)c2)c(I)c1
Show InChI InChI=1S/C22H20I2N4O2/c23-17-9-15(21(25)26)4-6-19(17)29-11-13-2-1-3-14(8-13)12-30-20-7-5-16(22(27)28)10-18(20)24/h1-10H,11-12H2,(H3,25,26)(H3,27,28)
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 2.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010085
PNG
(CHEMBL2418048)
Show SMILES NC(=N)c1ccc(COc2ccc(N)cc2)cc1
Show InChI InChI=1S/C14H15N3O/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-8H,9,15H2,(H3,16,17)
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 2.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010093
PNG
(CHEMBL3245399)
Show SMILES NC(=N)c1ccc(OCc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C14H13N3O3/c15-14(16)11-4-6-13(7-5-11)20-9-10-2-1-3-12(8-10)17(18)19/h1-8H,9H2,(H3,15,16)
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 2.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010087
PNG
(CHEMBL2418044)
Show SMILES NC(=N)c1ccc(COc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C14H13N3O3/c15-14(16)11-3-1-10(2-4-11)9-20-13-7-5-12(6-8-13)17(18)19/h1-8H,9H2,(H3,15,16)
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 2.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
Acrosin


(Sus scrofa)		BDBM50010079
PNG
(CHEMBL2418043)
Show SMILES NC(=N)c1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13/h1-9H,10H2,(H3,15,16)
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 2.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis

J Med Chem 21: 1132-6 (1979)


BindingDB Entry DOI: 10.7270/Q2TT4SGN
More data for this
Ligand-Target Pair
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