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PubMed code 14741263

Compile data set for download or QSAR
Found 67 hits of Enzyme Inhibition Constant Data   
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
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139212
PNG
(3-[3-(4-Guanidino-benzoylamino)-phenylsulfanyl]-3-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#7]-c1cccc(-[#16]-[#6](-[#6]-[#6](-[#8])=O)-c2cccnc2)c1
Show InChI InChI=1S/C22H21N5O3S/c23-22(24)27-16-8-6-14(7-9-16)21(30)26-17-4-1-5-18(11-17)31-19(12-20(28)29)15-3-2-10-25-13-15/h1-11,13,19H,12H2,(H,26,30)(H,28,29)(H4,23,24,27)
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n/an/a 15n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139204
PNG
(3-[4-(3-Guanidino-benzoylamino)-phenylsulfanyl]-3-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(-[#16]-[#6](-[#6]-[#6](-[#8])=O)-c2cccnc2)cc1
Show InChI InChI=1S/C22H21N5O3S/c23-22(24)27-17-5-1-3-14(11-17)21(30)26-16-6-8-18(9-7-16)31-19(12-20(28)29)15-4-2-10-25-13-15/h1-11,13,19H,12H2,(H,26,30)(H,28,29)(H4,23,24,27)
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n/an/a 16n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139212
PNG
(3-[3-(4-Guanidino-benzoylamino)-phenylsulfanyl]-3-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#7]-c1cccc(-[#16]-[#6](-[#6]-[#6](-[#8])=O)-c2cccnc2)c1
Show InChI InChI=1S/C22H21N5O3S/c23-22(24)27-16-8-6-14(7-9-16)21(30)26-17-4-1-5-18(11-17)31-19(12-20(28)29)15-3-2-10-25-13-15/h1-11,13,19H,12H2,(H,26,30)(H,28,29)(H4,23,24,27)
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n/an/a 20n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha IIb beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139208
PNG
(3-[3-(4-Guanidino-butyrylamino)-phenylsulfanyl]-3-...)
Show SMILES NC(=N)NCCCC(=O)Nc1cccc(SC(CC(O)=O)c2cccnc2)c1
Show InChI InChI=1S/C19H23N5O3S/c20-19(21)23-9-3-7-17(25)24-14-5-1-6-15(10-14)28-16(11-18(26)27)13-4-2-8-22-12-13/h1-2,4-6,8,10,12,16H,3,7,9,11H2,(H,24,25)(H,26,27)(H4,20,21,23)
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n/an/a 51n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139236
PNG
(3-[3-(3-Guanidino-benzoylamino)-phenylsulfanyl]-3-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1cccc(-[#16]-[#6](-[#6]-[#6](-[#8])=O)-c2cccnc2)c1
Show InChI InChI=1S/C22H21N5O3S/c23-22(24)27-16-6-1-4-14(10-16)21(30)26-17-7-2-8-18(11-17)31-19(12-20(28)29)15-5-3-9-25-13-15/h1-11,13,19H,12H2,(H,26,30)(H,28,29)(H4,23,24,27)
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n/an/a 68n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139228
PNG
(3-[4-(4-Guanidino-butyrylamino)-phenylsulfanyl]-3-...)
Show SMILES NC(=N)NCCCC(=O)Nc1ccc(SC(CC(O)=O)c2cccnc2)cc1
Show InChI InChI=1S/C19H23N5O3S/c20-19(21)23-10-2-4-17(25)24-14-5-7-15(8-6-14)28-16(11-18(26)27)13-3-1-9-22-12-13/h1,3,5-9,12,16H,2,4,10-11H2,(H,24,25)(H,26,27)(H4,20,21,23)
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n/an/a 120n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139211
PNG
(3-[4-(2-Guanidino-acetylamino)-phenylsulfanyl]-3-p...)
Show SMILES NC(=N)NCC(=O)Nc1ccc(SC(CC(O)=O)c2cccnc2)cc1
Show InChI InChI=1S/C17H19N5O3S/c18-17(19)21-10-15(23)22-12-3-5-13(6-4-12)26-14(8-16(24)25)11-2-1-7-20-9-11/h1-7,9,14H,8,10H2,(H,22,23)(H,24,25)(H4,18,19,21)
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n/an/a 200n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139238
PNG
(3-[4-(3-Guanidino-propionylamino)-phenylsulfanyl]-...)
Show SMILES NC(=N)NCCC(=O)Nc1ccc(SC(CC(O)=O)c2cccnc2)cc1
Show InChI InChI=1S/C18H21N5O3S/c19-18(20)22-9-7-16(24)23-13-3-5-14(6-4-13)27-15(10-17(25)26)12-2-1-8-21-11-12/h1-6,8,11,15H,7,9-10H2,(H,23,24)(H,25,26)(H4,19,20,22)
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n/an/a 200n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139209
PNG
(3-[3-(3-Guanidino-propionylamino)-phenylsulfanyl]-...)
Show SMILES NC(=N)NCCC(=O)Nc1cccc(SC(CC(O)=O)c2cccnc2)c1
Show InChI InChI=1S/C18H21N5O3S/c19-18(20)22-8-6-16(24)23-13-4-1-5-14(9-13)27-15(10-17(25)26)12-3-2-7-21-11-12/h1-5,7,9,11,15H,6,8,10H2,(H,23,24)(H,25,26)(H4,19,20,22)
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n/an/a 300n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139206
PNG
(3-[3-(2-Guanidino-acetylamino)-phenylsulfanyl]-3-p...)
Show SMILES NC(=N)NCC(=O)Nc1cccc(SC(CC(O)=O)c2cccnc2)c1
Show InChI InChI=1S/C17H19N5O3S/c18-17(19)21-10-15(23)22-12-4-1-5-13(7-12)26-14(8-16(24)25)11-3-2-6-20-9-11/h1-7,9,14H,8,10H2,(H,22,23)(H,24,25)(H4,18,19,21)
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n/an/a 800n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139236
PNG
(3-[3-(3-Guanidino-benzoylamino)-phenylsulfanyl]-3-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1cccc(-[#16]-[#6](-[#6]-[#6](-[#8])=O)-c2cccnc2)c1
Show InChI InChI=1S/C22H21N5O3S/c23-22(24)27-16-6-1-4-14(10-16)21(30)26-17-7-2-8-18(11-17)31-19(12-20(28)29)15-5-3-9-25-13-15/h1-11,13,19H,12H2,(H,26,30)(H,28,29)(H4,23,24,27)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha IIb beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139227
PNG
(3-(4-Acetylamino-phenylsulfanyl)-3-pyridin-3-yl-pr...)
Show SMILES CC(=O)Nc1ccc(SC(CC(O)=O)c2cccnc2)cc1
Show InChI InChI=1S/C16H16N2O3S/c1-11(19)18-13-4-6-14(7-5-13)22-15(9-16(20)21)12-3-2-8-17-10-12/h2-8,10,15H,9H2,1H3,(H,18,19)(H,20,21)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139218
PNG
(3-[4-(4-Guanidino-benzoylamino)-phenylsulfanyl]-3-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#7]-c1ccc(-[#16]-[#6](-[#6]-[#6](-[#8])=O)-c2cccnc2)cc1
Show InChI InChI=1S/C22H21N5O3S/c23-22(24)27-17-5-3-14(4-6-17)21(30)26-16-7-9-18(10-8-16)31-19(12-20(28)29)15-2-1-11-25-13-15/h1-11,13,19H,12H2,(H,26,30)(H,28,29)(H4,23,24,27)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139237
PNG
(3-[3-(4-Amino-butyrylamino)-phenylsulfanyl]-3-pyri...)
Show SMILES NCCCC(=O)Nc1cccc(SC(CC(O)=O)c2cccnc2)c1
Show InChI InChI=1S/C18H21N3O3S/c19-8-2-7-17(22)21-14-5-1-6-15(10-14)25-16(11-18(23)24)13-4-3-9-20-12-13/h1,3-6,9-10,12,16H,2,7-8,11,19H2,(H,21,22)(H,23,24)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139208
PNG
(3-[3-(4-Guanidino-butyrylamino)-phenylsulfanyl]-3-...)
Show SMILES NC(=N)NCCCC(=O)Nc1cccc(SC(CC(O)=O)c2cccnc2)c1
Show InChI InChI=1S/C19H23N5O3S/c20-19(21)23-9-3-7-17(25)24-14-5-1-6-15(10-14)28-16(11-18(26)27)13-4-2-8-22-12-13/h1-2,4-6,8,10,12,16H,3,7,9,11H2,(H,24,25)(H,26,27)(H4,20,21,23)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha IIb beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139231
PNG
(3-Pyridin-3-yl-3-{3-[((R)-pyrrolidine-2-carbonyl)-...)
Show SMILES OC(=O)CC(Sc1cccc(NC(=O)[C@H]2CCCN2)c1)c1cccnc1
Show InChI InChI=1S/C19H21N3O3S/c23-18(24)11-17(13-4-2-8-20-12-13)26-15-6-1-5-14(10-15)22-19(25)16-7-3-9-21-16/h1-2,4-6,8,10,12,16-17,21H,3,7,9,11H2,(H,22,25)(H,23,24)/t16-,17?/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha IIb beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139215
PNG
(3-[4-(4-Amino-butyrylamino)-phenylsulfanyl]-3-pyri...)
Show SMILES NCCCC(=O)Nc1ccc(SC(CC(O)=O)c2cccnc2)cc1
Show InChI InChI=1S/C18H21N3O3S/c19-9-1-4-17(22)21-14-5-7-15(8-6-14)25-16(11-18(23)24)13-3-2-10-20-12-13/h2-3,5-8,10,12,16H,1,4,9,11,19H2,(H,21,22)(H,23,24)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139213
PNG
(3-(3-Acetylamino-phenylsulfanyl)-3-pyridin-3-yl-pr...)
Show SMILES CC(=O)Nc1cccc(SC(CC(O)=O)c2cccnc2)c1
Show InChI InChI=1S/C16H16N2O3S/c1-11(19)18-13-5-2-6-14(8-13)22-15(9-16(20)21)12-4-3-7-17-10-12/h2-8,10,15H,9H2,1H3,(H,18,19)(H,20,21)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139220
PNG
(3-[3-(2-Amino-acetylamino)-phenylsulfanyl]-3-pyrid...)
Show SMILES NCC(=O)Nc1cccc(SC(CC(O)=O)c2cccnc2)c1
Show InChI InChI=1S/C16H17N3O3S/c17-9-15(20)19-12-4-1-5-13(7-12)23-14(8-16(21)22)11-3-2-6-18-10-11/h1-7,10,14H,8-9,17H2,(H,19,20)(H,21,22)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139219
PNG
(3-[4-(2-Amino-acetylamino)-phenylsulfanyl]-3-pyrid...)
Show SMILES NCC(=O)Nc1ccc(SC(CC(O)=O)c2cccnc2)cc1
Show InChI InChI=1S/C16H17N3O3S/c17-9-15(20)19-12-3-5-13(6-4-12)23-14(8-16(21)22)11-2-1-7-18-10-11/h1-7,10,14H,8-9,17H2,(H,19,20)(H,21,22)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139226
PNG
(3-[2-(3-Guanidino-benzoylamino)-phenylsulfanyl]-3-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccccc1-[#16]-[#6](-[#6]-[#6](-[#8])=O)-c1cccnc1
Show InChI InChI=1S/C22H21N5O3S/c23-22(24)26-16-7-3-5-14(11-16)21(30)27-17-8-1-2-9-18(17)31-19(12-20(28)29)15-6-4-10-25-13-15/h1-11,13,19H,12H2,(H,27,30)(H,28,29)(H4,23,24,26)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139224
PNG
(3-(2-Acetylamino-phenylsulfanyl)-3-pyridin-3-yl-pr...)
Show SMILES CC(=O)Nc1ccccc1SC(CC(O)=O)c1cccnc1
Show InChI InChI=1S/C16H16N2O3S/c1-11(19)18-13-6-2-3-7-14(13)22-15(9-16(20)21)12-5-4-8-17-10-12/h2-8,10,15H,9H2,1H3,(H,18,19)(H,20,21)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139223
PNG
(3-[3-(2-Methylamino-acetylamino)-phenylsulfanyl]-3...)
Show SMILES CNCC(=O)Nc1cccc(SC(CC(O)=O)c2cccnc2)c1
Show InChI InChI=1S/C17H19N3O3S/c1-18-11-16(21)20-13-5-2-6-14(8-13)24-15(9-17(22)23)12-4-3-7-19-10-12/h2-8,10,15,18H,9,11H2,1H3,(H,20,21)(H,22,23)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha IIb beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139233
PNG
(3-[4-(2-Methylamino-acetylamino)-phenylsulfanyl]-3...)
Show SMILES CNCC(=O)Nc1ccc(SC(CC(O)=O)c2cccnc2)cc1
Show InChI InChI=1S/C17H19N3O3S/c1-18-11-16(21)20-13-4-6-14(7-5-13)24-15(9-17(22)23)12-3-2-8-19-10-12/h2-8,10,15,18H,9,11H2,1H3,(H,20,21)(H,22,23)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139234
PNG
(3-[4-(3-Amino-propionylamino)-phenylsulfanyl]-3-py...)
Show SMILES NCCC(=O)Nc1ccc(SC(CC(O)=O)c2cccnc2)cc1
Show InChI InChI=1S/C17H19N3O3S/c18-8-7-16(21)20-13-3-5-14(6-4-13)24-15(10-17(22)23)12-2-1-9-19-11-12/h1-6,9,11,15H,7-8,10,18H2,(H,20,21)(H,22,23)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139232
PNG
(3-[2-(3-Guanidino-propionylamino)-phenylsulfanyl]-...)
Show SMILES NC(=N)NCCC(=O)Nc1ccccc1SC(CC(O)=O)c1cccnc1
Show InChI InChI=1S/C18H21N5O3S/c19-18(20)22-9-7-16(24)23-13-5-1-2-6-14(13)27-15(10-17(25)26)12-4-3-8-21-11-12/h1-6,8,11,15H,7,9-10H2,(H,23,24)(H,25,26)(H4,19,20,22)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139203
PNG
(3-(4-Propionylamino-phenylsulfanyl)-3-pyridin-3-yl...)
Show SMILES CCC(=O)Nc1ccc(SC(CC(O)=O)c2cccnc2)cc1
Show InChI InChI=1S/C17H18N2O3S/c1-2-16(20)19-13-5-7-14(8-6-13)23-15(10-17(21)22)12-4-3-9-18-11-12/h3-9,11,15H,2,10H2,1H3,(H,19,20)(H,21,22)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha IIb beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139221
PNG
(3-(3-Propionylamino-phenylsulfanyl)-3-pyridin-3-yl...)
Show SMILES CCC(=O)Nc1cccc(SC(CC(O)=O)c2cccnc2)c1
Show InChI InChI=1S/C17H18N2O3S/c1-2-16(20)19-13-6-3-7-14(9-13)23-15(10-17(21)22)12-5-4-8-18-11-12/h3-9,11,15H,2,10H2,1H3,(H,19,20)(H,21,22)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139217
PNG
(3-[3-(3-Amino-propionylamino)-phenylsulfanyl]-3-py...)
Show SMILES NCCC(=O)Nc1cccc(SC(CC(O)=O)c2cccnc2)c1
Show InChI InChI=1S/C17H19N3O3S/c18-7-6-16(21)20-13-4-1-5-14(9-13)24-15(10-17(22)23)12-3-2-8-19-11-12/h1-5,8-9,11,15H,6-7,10,18H2,(H,20,21)(H,22,23)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139237
PNG
(3-[3-(4-Amino-butyrylamino)-phenylsulfanyl]-3-pyri...)
Show SMILES NCCCC(=O)Nc1cccc(SC(CC(O)=O)c2cccnc2)c1
Show InChI InChI=1S/C18H21N3O3S/c19-8-2-7-17(22)21-14-5-1-6-15(10-14)25-16(11-18(23)24)13-4-3-9-20-12-13/h1,3-6,9-10,12,16H,2,7-8,11,19H2,(H,21,22)(H,23,24)
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n/an/a 8.90E+3n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha IIb beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139207
PNG
(3-[2-(4-Guanidino-benzoylamino)-phenylsulfanyl]-3-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#7]-c1ccccc1-[#16]-[#6](-[#6]-[#6](-[#8])=O)-c1cccnc1
Show InChI InChI=1S/C22H21N5O3S/c23-22(24)26-16-9-7-14(8-10-16)21(30)27-17-5-1-2-6-18(17)31-19(12-20(28)29)15-4-3-11-25-13-15/h1-11,13,19H,12H2,(H,27,30)(H,28,29)(H4,23,24,26)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139210
PNG
(3-[2-(4-Amino-butyrylamino)-phenylsulfanyl]-3-pyri...)
Show SMILES NCCCC(=O)Nc1ccccc1SC(CC(O)=O)c1cccnc1
Show InChI InChI=1S/C18H21N3O3S/c19-9-3-8-17(22)21-14-6-1-2-7-15(14)25-16(11-18(23)24)13-5-4-10-20-12-13/h1-2,4-7,10,12,16H,3,8-9,11,19H2,(H,21,22)(H,23,24)
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n/an/a 9.20E+3n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139230
PNG
(3-(2-Propionylamino-phenylsulfanyl)-3-pyridin-3-yl...)
Show SMILES CCC(=O)Nc1ccccc1SC(CC(O)=O)c1cccnc1
Show InChI InChI=1S/C17H18N2O3S/c1-2-16(20)19-13-7-3-4-8-14(13)23-15(10-17(21)22)12-6-5-9-18-11-12/h3-9,11,15H,2,10H2,1H3,(H,19,20)(H,21,22)
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n/an/a 9.60E+3n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139204
PNG
(3-[4-(3-Guanidino-benzoylamino)-phenylsulfanyl]-3-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(-[#16]-[#6](-[#6]-[#6](-[#8])=O)-c2cccnc2)cc1
Show InChI InChI=1S/C22H21N5O3S/c23-22(24)27-17-5-1-3-14(11-17)21(30)26-16-6-8-18(9-7-16)31-19(12-20(28)29)15-4-2-10-25-13-15/h1-11,13,19H,12H2,(H,26,30)(H,28,29)(H4,23,24,27)
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n/an/a 9.80E+3n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha IIb beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139222
PNG
(3-[2-(2-Guanidino-acetylamino)-phenylsulfanyl]-3-p...)
Show SMILES NC(=N)NCC(=O)Nc1ccccc1SC(CC(O)=O)c1cccnc1
Show InChI InChI=1S/C17H19N5O3S/c18-17(19)21-10-15(23)22-12-5-1-2-6-13(12)26-14(8-16(24)25)11-4-3-7-20-9-11/h1-7,9,14H,8,10H2,(H,22,23)(H,24,25)(H4,18,19,21)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139209
PNG
(3-[3-(3-Guanidino-propionylamino)-phenylsulfanyl]-...)
Show SMILES NC(=N)NCCC(=O)Nc1cccc(SC(CC(O)=O)c2cccnc2)c1
Show InChI InChI=1S/C18H21N5O3S/c19-18(20)22-8-6-16(24)23-13-4-1-5-14(9-13)27-15(10-17(25)26)12-3-2-7-21-11-12/h1-5,7,9,11,15H,6,8,10H2,(H,23,24)(H,25,26)(H4,19,20,22)
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n/an/a 1.04E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha IIb beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139240
PNG
(3-(4-Phenylacetylamino-phenylsulfanyl)-3-pyridin-3...)
Show SMILES OC(=O)CC(Sc1ccc(NC(=O)Cc2ccccc2)cc1)c1cccnc1
Show InChI InChI=1S/C22H20N2O3S/c25-21(13-16-5-2-1-3-6-16)24-18-8-10-19(11-9-18)28-20(14-22(26)27)17-7-4-12-23-15-17/h1-12,15,20H,13-14H2,(H,24,25)(H,26,27)
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n/an/a 1.06E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139205
PNG
(3-(3-Phenylacetylamino-phenylsulfanyl)-3-pyridin-3...)
Show SMILES OC(=O)CC(Sc1cccc(NC(=O)Cc2ccccc2)c1)c1cccnc1
Show InChI InChI=1S/C22H20N2O3S/c25-21(12-16-6-2-1-3-7-16)24-18-9-4-10-19(13-18)28-20(14-22(26)27)17-8-5-11-23-15-17/h1-11,13,15,20H,12,14H2,(H,24,25)(H,26,27)
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n/an/a 1.12E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139225
PNG
(3-[3-(2-Cyclopentyl-acetylamino)-phenylsulfanyl]-3...)
Show SMILES OC(=O)CC(Sc1cccc(NC(=O)CC2CCCC2)c1)c1cccnc1
Show InChI InChI=1S/C21H24N2O3S/c24-20(11-15-5-1-2-6-15)23-17-8-3-9-18(12-17)27-19(13-21(25)26)16-7-4-10-22-14-16/h3-4,7-10,12,14-15,19H,1-2,5-6,11,13H2,(H,23,24)(H,25,26)
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n/an/a 1.43E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139216
PNG
(3-[4-(2-Cyclopentyl-acetylamino)-phenylsulfanyl]-3...)
Show SMILES OC(=O)CC(Sc1ccc(NC(=O)CC2CCCC2)cc1)c1cccnc1
Show InChI InChI=1S/C21H24N2O3S/c24-20(12-15-4-1-2-5-15)23-17-7-9-18(10-8-17)27-19(13-21(25)26)16-6-3-11-22-14-16/h3,6-11,14-15,19H,1-2,4-5,12-13H2,(H,23,24)(H,25,26)
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n/an/a 1.52E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139226
PNG
(3-[2-(3-Guanidino-benzoylamino)-phenylsulfanyl]-3-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccccc1-[#16]-[#6](-[#6]-[#6](-[#8])=O)-c1cccnc1
Show InChI InChI=1S/C22H21N5O3S/c23-22(24)26-16-7-3-5-14(11-16)21(30)27-17-8-1-2-9-18(17)31-19(12-20(28)29)15-6-4-10-25-13-15/h1-11,13,19H,12H2,(H,27,30)(H,28,29)(H4,23,24,26)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139231
PNG
(3-Pyridin-3-yl-3-{3-[((R)-pyrrolidine-2-carbonyl)-...)
Show SMILES OC(=O)CC(Sc1cccc(NC(=O)[C@H]2CCCN2)c1)c1cccnc1
Show InChI InChI=1S/C19H21N3O3S/c23-18(24)11-17(13-4-2-8-20-12-13)26-15-6-1-5-14(10-15)22-19(25)16-7-3-9-21-16/h1-2,4-6,8,10,12,16-17,21H,3,7,9,11H2,(H,22,25)(H,23,24)/t16-,17?/m1/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha IIb beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139223
PNG
(3-[3-(2-Methylamino-acetylamino)-phenylsulfanyl]-3...)
Show SMILES CNCC(=O)Nc1cccc(SC(CC(O)=O)c2cccnc2)c1
Show InChI InChI=1S/C17H19N3O3S/c1-18-11-16(21)20-13-5-2-6-14(8-13)24-15(9-17(22)23)12-4-3-7-19-10-12/h2-8,10,15,18H,9,11H2,1H3,(H,20,21)(H,22,23)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha IIb beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139215
PNG
(3-[4-(4-Amino-butyrylamino)-phenylsulfanyl]-3-pyri...)
Show SMILES NCCCC(=O)Nc1ccc(SC(CC(O)=O)c2cccnc2)cc1
Show InChI InChI=1S/C18H21N3O3S/c19-9-1-4-17(22)21-14-5-7-15(8-6-14)25-16(11-18(23)24)13-3-2-10-20-12-13/h2-3,5-8,10,12,16H,1,4,9,11,19H2,(H,21,22)(H,23,24)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha IIb beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139241
PNG
(3-[2-(2-Amino-acetylamino)-phenylsulfanyl]-3-pyrid...)
Show SMILES NCC(=O)Nc1ccccc1SC(CC(O)=O)c1cccnc1
Show InChI InChI=1S/C16H17N3O3S/c17-9-15(20)19-12-5-1-2-6-13(12)23-14(8-16(21)22)11-4-3-7-18-10-11/h1-7,10,14H,8-9,17H2,(H,19,20)(H,21,22)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139235
PNG
(3-(2-Phenylacetylamino-phenylsulfanyl)-3-pyridin-3...)
Show SMILES OC(=O)CC(Sc1ccccc1NC(=O)Cc1ccccc1)c1cccnc1
Show InChI InChI=1S/C22H20N2O3S/c25-21(13-16-7-2-1-3-8-16)24-18-10-4-5-11-19(18)28-20(14-22(26)27)17-9-6-12-23-15-17/h1-12,15,20H,13-14H2,(H,24,25)(H,26,27)
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n/an/a 2.96E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139234
PNG
(3-[4-(3-Amino-propionylamino)-phenylsulfanyl]-3-py...)
Show SMILES NCCC(=O)Nc1ccc(SC(CC(O)=O)c2cccnc2)cc1
Show InChI InChI=1S/C17H19N3O3S/c18-8-7-16(21)20-13-3-5-14(6-4-13)24-15(10-17(22)23)12-2-1-9-19-11-12/h1-6,9,11,15H,7-8,10,18H2,(H,20,21)(H,22,23)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha IIb beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139207
PNG
(3-[2-(4-Guanidino-benzoylamino)-phenylsulfanyl]-3-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#7]-c1ccccc1-[#16]-[#6](-[#6]-[#6](-[#8])=O)-c1cccnc1
Show InChI InChI=1S/C22H21N5O3S/c23-22(24)26-16-9-7-14(8-10-16)21(30)27-17-5-1-2-6-18(17)31-19(12-20(28)29)15-4-3-11-25-13-15/h1-11,13,19H,12H2,(H,27,30)(H,28,29)(H4,23,24,26)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha IIb beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139213
PNG
(3-(3-Acetylamino-phenylsulfanyl)-3-pyridin-3-yl-pr...)
Show SMILES CC(=O)Nc1cccc(SC(CC(O)=O)c2cccnc2)c1
Show InChI InChI=1S/C16H16N2O3S/c1-11(19)18-13-5-2-6-14(8-13)22-15(9-16(20)21)12-4-3-7-17-10-12/h2-8,10,15H,9H2,1H3,(H,18,19)(H,20,21)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139220
PNG
(3-[3-(2-Amino-acetylamino)-phenylsulfanyl]-3-pyrid...)
Show SMILES NCC(=O)Nc1cccc(SC(CC(O)=O)c2cccnc2)c1
Show InChI InChI=1S/C16H17N3O3S/c17-9-15(20)19-12-4-1-5-13(7-12)23-14(8-16(21)22)11-3-2-6-18-10-11/h1-7,10,14H,8-9,17H2,(H,19,20)(H,21,22)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha IIb beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139229
PNG
(3-[2-(2-Methylamino-acetylamino)-phenylsulfanyl]-3...)
Show SMILES CNCC(=O)Nc1ccccc1SC(CC(O)=O)c1cccnc1
Show InChI InChI=1S/C17H19N3O3S/c1-18-11-16(21)20-13-6-2-3-7-14(13)24-15(9-17(22)23)12-5-4-8-19-10-12/h2-8,10,15,18H,9,11H2,1H3,(H,20,21)(H,22,23)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139228
PNG
(3-[4-(4-Guanidino-butyrylamino)-phenylsulfanyl]-3-...)
Show SMILES NC(=N)NCCCC(=O)Nc1ccc(SC(CC(O)=O)c2cccnc2)cc1
Show InChI InChI=1S/C19H23N5O3S/c20-19(21)23-10-2-4-17(25)24-14-5-7-15(8-6-14)28-16(11-18(26)27)13-3-1-9-22-12-13/h1,3,5-9,12,16H,2,4,10-11H2,(H,24,25)(H,26,27)(H4,20,21,23)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha IIb beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139221
PNG
(3-(3-Propionylamino-phenylsulfanyl)-3-pyridin-3-yl...)
Show SMILES CCC(=O)Nc1cccc(SC(CC(O)=O)c2cccnc2)c1
Show InChI InChI=1S/C17H18N2O3S/c1-2-16(20)19-13-6-3-7-14(9-13)23-15(10-17(21)22)12-5-4-8-18-11-12/h3-9,11,15H,2,10H2,1H3,(H,19,20)(H,21,22)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139233
PNG
(3-[4-(2-Methylamino-acetylamino)-phenylsulfanyl]-3...)
Show SMILES CNCC(=O)Nc1ccc(SC(CC(O)=O)c2cccnc2)cc1
Show InChI InChI=1S/C17H19N3O3S/c1-18-11-16(21)20-13-4-6-14(7-5-13)24-15(9-17(22)23)12-3-2-8-19-10-12/h2-8,10,15,18H,9,11H2,1H3,(H,20,21)(H,22,23)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha IIb beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139219
PNG
(3-[4-(2-Amino-acetylamino)-phenylsulfanyl]-3-pyrid...)
Show SMILES NCC(=O)Nc1ccc(SC(CC(O)=O)c2cccnc2)cc1
Show InChI InChI=1S/C16H17N3O3S/c17-9-15(20)19-12-3-5-13(6-4-12)23-14(8-16(21)22)11-2-1-7-18-10-11/h1-7,10,14H,8-9,17H2,(H,19,20)(H,21,22)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha IIb beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139239
PNG
(3-[2-(2-Cyclopentyl-acetylamino)-phenylsulfanyl]-3...)
Show SMILES OC(=O)CC(Sc1ccccc1NC(=O)CC1CCCC1)c1cccnc1
Show InChI InChI=1S/C21H24N2O3S/c24-20(12-15-6-1-2-7-15)23-17-9-3-4-10-18(17)27-19(13-21(25)26)16-8-5-11-22-14-16/h3-5,8-11,14-15,19H,1-2,6-7,12-13H2,(H,23,24)(H,25,26)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-V/beta-3


(Homo sapiens (Human))		BDBM50139214
PNG
(3-Pyridin-3-yl-3-{(R)-2-[(pyrrolidine-2-carbonyl)-...)
Show SMILES OC(=O)CC(Sc1ccccc1NC(=O)[C@H]1CCCN1)c1cccnc1
Show InChI InChI=1S/C19H21N3O3S/c23-18(24)11-17(13-5-3-9-20-12-13)26-16-8-2-1-6-14(16)22-19(25)15-7-4-10-21-15/h1-3,5-6,8-9,12,15,17,21H,4,7,10-11H2,(H,22,25)(H,23,24)/t15-,17?/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alphaV-beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139206
PNG
(3-[3-(2-Guanidino-acetylamino)-phenylsulfanyl]-3-p...)
Show SMILES NC(=N)NCC(=O)Nc1cccc(SC(CC(O)=O)c2cccnc2)c1
Show InChI InChI=1S/C17H19N5O3S/c18-17(19)21-10-15(23)22-12-4-1-5-13(7-12)26-14(8-16(24)25)11-3-2-6-20-9-11/h1-7,9,14H,8,10H2,(H,22,23)(H,24,25)(H4,18,19,21)
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n/an/a 3.10E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha IIb beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139218
PNG
(3-[4-(4-Guanidino-benzoylamino)-phenylsulfanyl]-3-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#7]-c1ccc(-[#16]-[#6](-[#6]-[#6](-[#8])=O)-c2cccnc2)cc1
Show InChI InChI=1S/C22H21N5O3S/c23-22(24)27-17-5-3-14(4-6-17)21(30)26-16-7-9-18(10-8-16)31-19(12-20(28)29)15-2-1-11-25-13-15/h1-11,13,19H,12H2,(H,26,30)(H,28,29)(H4,23,24,27)
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n/an/a 3.40E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha IIb beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139224
PNG
(3-(2-Acetylamino-phenylsulfanyl)-3-pyridin-3-yl-pr...)
Show SMILES CC(=O)Nc1ccccc1SC(CC(O)=O)c1cccnc1
Show InChI InChI=1S/C16H16N2O3S/c1-11(19)18-13-6-2-3-7-14(13)22-15(9-16(20)21)12-5-4-8-17-10-12/h2-8,10,15H,9H2,1H3,(H,18,19)(H,20,21)
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n/an/a 4.50E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha IIb beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139211
PNG
(3-[4-(2-Guanidino-acetylamino)-phenylsulfanyl]-3-p...)
Show SMILES NC(=N)NCC(=O)Nc1ccc(SC(CC(O)=O)c2cccnc2)cc1
Show InChI InChI=1S/C17H19N5O3S/c18-17(19)21-10-15(23)22-12-3-5-13(6-4-12)26-14(8-16(24)25)11-2-1-7-20-9-11/h1-7,9,14H,8,10H2,(H,22,23)(H,24,25)(H4,18,19,21)
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n/an/a 8.10E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha IIb beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139238
PNG
(3-[4-(3-Guanidino-propionylamino)-phenylsulfanyl]-...)
Show SMILES NC(=N)NCCC(=O)Nc1ccc(SC(CC(O)=O)c2cccnc2)cc1
Show InChI InChI=1S/C18H21N5O3S/c19-18(20)22-9-7-16(24)23-13-3-5-14(6-4-13)27-15(10-17(25)26)12-2-1-8-21-11-12/h1-6,8,11,15H,7,9-10H2,(H,23,24)(H,25,26)(H4,19,20,22)
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n/an/a 8.70E+4n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha IIb beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139222
PNG
(3-[2-(2-Guanidino-acetylamino)-phenylsulfanyl]-3-p...)
Show SMILES NC(=N)NCC(=O)Nc1ccccc1SC(CC(O)=O)c1cccnc1
Show InChI InChI=1S/C17H19N5O3S/c18-17(19)21-10-15(23)22-12-5-1-2-6-13(12)26-14(8-16(24)25)11-4-3-7-20-9-11/h1-7,9,14H,8,10H2,(H,22,23)(H,24,25)(H4,18,19,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibition of binding to integrin alphaIIb-beta3

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139232
PNG
(3-[2-(3-Guanidino-propionylamino)-phenylsulfanyl]-...)
Show SMILES NC(=N)NCCC(=O)Nc1ccccc1SC(CC(O)=O)c1cccnc1
Show InChI InChI=1S/C18H21N5O3S/c19-18(20)22-9-7-16(24)23-13-5-1-2-6-14(13)27-15(10-17(25)26)12-4-3-8-21-11-12/h1-6,8,11,15H,7,9-10H2,(H,23,24)(H,25,26)(H4,19,20,22)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha IIb beta3 integrin

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))		BDBM50139204
PNG
(3-[4-(3-Guanidino-benzoylamino)-phenylsulfanyl]-3-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(-[#16]-[#6](-[#6]-[#6](-[#8])=O)-c2cccnc2)cc1
Show InChI InChI=1S/C22H21N5O3S/c23-22(24)27-17-5-1-3-14(11-17)21(30)26-16-6-8-18(9-7-16)31-19(12-20(28)29)15-4-2-10-25-13-15/h1-11,13,19H,12H2,(H,26,30)(H,28,29)(H4,23,24,27)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
K562 cell adhesion via integrin alpha5-beta1 to fibrinogen

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-IIb/beta-3


(Homo sapiens (Human))		BDBM50139204
PNG
(3-[4-(3-Guanidino-benzoylamino)-phenylsulfanyl]-3-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(-[#16]-[#6](-[#6]-[#6](-[#8])=O)-c2cccnc2)cc1
Show InChI InChI=1S/C22H21N5O3S/c23-22(24)27-17-5-1-3-14(11-17)21(30)26-16-6-8-18(9-7-16)31-19(12-20(28)29)15-4-2-10-25-13-15/h1-11,13,19H,12H2,(H,26,30)(H,28,29)(H4,23,24,27)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
Cell adhesion via integrin alphaIIb-beta3 expressed in CHO cells to fibrinogen

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))		BDBM50139204
PNG
(3-[4-(3-Guanidino-benzoylamino)-phenylsulfanyl]-3-...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](=O)-[#7]-c1ccc(-[#16]-[#6](-[#6]-[#6](-[#8])=O)-c2cccnc2)cc1
Show InChI InChI=1S/C22H21N5O3S/c23-22(24)27-17-5-1-3-14(11-17)21(30)26-16-6-8-18(9-7-16)31-19(12-20(28)29)15-4-2-10-25-13-15/h1-11,13,19H,12H2,(H,26,30)(H,28,29)(H4,23,24,27)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Nerviano

Curated by ChEMBL


Assay Description
CEMD9 cell adhesion via integrin alpha4-beta1 to VCAM1

Bioorg Med Chem Lett 14: 657-61 (2004)


BindingDB Entry DOI: 10.7270/Q2RV0N4Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%