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Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'sawyer' and Initial = 'da'   
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
Inositol polyphosphate-5-phosphatase A


(Homo sapiens (Human))
BDBM50279840
PNG
((D)-2,2-difluoro-2-deoxy-myo-inositol 1,4,5-tripho...)
Show SMILES OC1C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)C(O)C(F)(F)C1OP([O-])([O-])=O
Show InChI InChI=1S/C6H13F2O14P3/c7-6(8)4(10)3(21-24(14,15)16)2(20-23(11,12)13)1(9)5(6)22-25(17,18)19/h1-5,9-10H,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)/p-6
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Article
2.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Inositol-1,4,5-trisphosphate 5-phosphatase


Bioorg Med Chem Lett 1: 705-710 (1991)


Article DOI: 10.1016/S0960-894X(01)81052-0
BindingDB Entry DOI: 10.7270/Q2348KV6
More data for this
Ligand-Target Pair
Inositol 1,4,5-trisphosphate receptor type 1/2/3


(Homo sapiens (Human))
BDBM50211666
PNG
(CHEMBL1161456)
Show SMILES OC1CC(OP(O)(O)=O)C(O)C(OP(O)(O)=O)C1OP(O)(O)=O
Show InChI InChI=1S/C6H15O14P3/c7-2-1-3(18-21(9,10)11)4(8)6(20-23(15,16)17)5(2)19-22(12,13)14/h2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)
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2.92E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its ability to inhibit Inositol phosphorylation


Bioorg Med Chem Lett 1: 705-710 (1991)


Article DOI: 10.1016/S0960-894X(01)81052-0
BindingDB Entry DOI: 10.7270/Q2348KV6
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086462
PNG
((S)-3-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-p...)
Show SMILES CC(=N)NCCSC[C@@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c1-5(8)10-2-3-13-4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086466
PNG
((S)-3-(2-Acetimidoylamino-ethoxy)-2-amino-propioni...)
Show SMILES CC(=N)NCCOC[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O3/c1-5(8)10-2-3-13-4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086459
PNG
(4-(2-Acetimidoylamino-ethoxy)-2-amino-butyric acid...)
Show SMILES CC(=N)NCCOCCC(N)C(O)=O
Show InChI InChI=1S/C8H17N3O3/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086467
PNG
((S)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...)
Show SMILES CC(=N)NCCSCC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50030277
PNG
((R)-6-Acetimidoylamino-2-amino-hexanoic acid | CHE...)
Show SMILES CC(=N)NCCCC[C@@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50035267
PNG
(CHEMBL66344 | [2-(4-Decyloxy-3,5-dimethoxy-benzoyl...)
Show SMILES CCCCCCCCCCOc1c(OC)cc(cc1OC)C(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C24H42NO5/c1-7-8-9-10-11-12-13-14-16-29-23-21(27-5)18-20(19-22(23)28-6)24(26)30-17-15-25(2,3)4/h18-19H,7-17H2,1-6H3/q+1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Activity against adenosine diphosphate (ADP) induced platelet aggregation


J Med Chem 38: 2130-7 (1995)


BindingDB Entry DOI: 10.7270/Q2J38RKC
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50035258
PNG
(CHEMBL66185 | [4-(4-Decyloxy-3,5-dimethoxy-benzoyl...)
Show SMILES CCCCCCCCCCOc1c(OC)cc(cc1OC)C(=O)OCCCC[N+](C)(C)C
Show InChI InChI=1S/C26H46NO5/c1-7-8-9-10-11-12-13-15-18-31-25-23(29-5)20-22(21-24(25)30-6)26(28)32-19-16-14-17-27(2,3)4/h20-21H,7-19H2,1-6H3/q+1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Activity against adenosine diphosphate (ADP) induced platelet aggregation


J Med Chem 38: 2130-7 (1995)


BindingDB Entry DOI: 10.7270/Q2J38RKC
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50035259
PNG
(CHEMBL67302 | [4-(4-Hexadecyloxy-3,5-dimethoxy-ben...)
Show SMILES CCCCCCCCCCCCCCCCOc1c(OC)cc(cc1OC)C(=O)OCCCC[N+](C)(C)C
Show InChI InChI=1S/C32H58NO5/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-37-31-29(35-5)26-28(27-30(31)36-6)32(34)38-25-22-20-23-33(2,3)4/h26-27H,7-25H2,1-6H3/q+1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Activity against adenosine diphosphate (ADP) induced platelet aggregation


J Med Chem 38: 2130-7 (1995)


BindingDB Entry DOI: 10.7270/Q2J38RKC
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086461
PNG
((R)-3-(2-acetimidoylamino-ethylsulfanyl)-2-amino-p...)
Show SMILES CC(=N)NCCSC[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c1-5(8)10-2-3-13-4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086470
PNG
((R)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...)
Show SMILES CC(=N)NCCSCC[C@@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m1/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086459
PNG
(4-(2-Acetimidoylamino-ethoxy)-2-amino-butyric acid...)
Show SMILES CC(=N)NCCOCCC(N)C(O)=O
Show InChI InChI=1S/C8H17N3O3/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50230993
PNG
((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...)
Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086468
PNG
((S)-3-(2-Acetimidoylamino-ethanesulfinyl)-2-amino-...)
Show SMILES CC(=N)NCCS(=O)C[C@@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O3S/c1-5(8)10-2-3-14(13)4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-,14?/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086464
PNG
((S)-3-(2-Acetimidoylamino-ethanesulfonyl)-2-amino-...)
Show SMILES CC(=N)NCCS(=O)(=O)C[C@@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O4S/c1-5(8)10-2-3-15(13,14)4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50035262
PNG
(CHEMBL67232 | [4-(3-Chloro-4-hexyloxy-5-methoxy-be...)
Show SMILES CCCCCCOc1c(Cl)cc(cc1OC)C(=O)OCCCC[N+](C)(C)C
Show InChI InChI=1S/C21H35ClNO4/c1-6-7-8-10-13-26-20-18(22)15-17(16-19(20)25-5)21(24)27-14-11-9-12-23(2,3)4/h15-16H,6-14H2,1-5H3/q+1
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n/an/a 9.60E+3n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Activity against adenosine diphosphate (ADP) induced platelet aggregation


J Med Chem 38: 2130-7 (1995)


BindingDB Entry DOI: 10.7270/Q2J38RKC
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086466
PNG
((S)-3-(2-Acetimidoylamino-ethoxy)-2-amino-propioni...)
Show SMILES CC(=N)NCCOC[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O3/c1-5(8)10-2-3-13-4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
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n/an/a 1.16E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50035264
PNG
(CHEMBL70229 | {2-[4-(4-Hexyloxy-3,5-dimethoxy-benz...)
Show SMILES CCCCCCOc1c(OC)cc(cc1OC)C(=O)Oc1ccc(CC[N+](C)(C)C)cc1
Show InChI InChI=1S/C26H38NO5/c1-7-8-9-10-17-31-25-23(29-5)18-21(19-24(25)30-6)26(28)32-22-13-11-20(12-14-22)15-16-27(2,3)4/h11-14,18-19H,7-10,15-17H2,1-6H3/q+1
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n/an/a 1.18E+4n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Activity against adenosine diphosphate (ADP) induced platelet aggregation


J Med Chem 38: 2130-7 (1995)


BindingDB Entry DOI: 10.7270/Q2J38RKC
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50035260
PNG
(CHEMBL307760 | [4-(4-Hexyloxy-3,5-dimethyl-benzoyl...)
Show SMILES CCCCCCOc1c(C)cc(cc1C)C(=O)OCCCC[N+](C)(C)C
Show InChI InChI=1S/C22H38NO3/c1-7-8-9-11-14-25-21-18(2)16-20(17-19(21)3)22(24)26-15-12-10-13-23(4,5)6/h16-17H,7-15H2,1-6H3/q+1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Activity against adenosine diphosphate (ADP) induced platelet aggregation


J Med Chem 38: 2130-7 (1995)


BindingDB Entry DOI: 10.7270/Q2J38RKC
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086466
PNG
((S)-3-(2-Acetimidoylamino-ethoxy)-2-amino-propioni...)
Show SMILES CC(=N)NCCOC[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O3/c1-5(8)10-2-3-13-4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086462
PNG
((S)-3-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-p...)
Show SMILES CC(=N)NCCSC[C@@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c1-5(8)10-2-3-13-4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m1/s1
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n/an/a 1.32E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50035266
PNG
(5-[4-(4-Hexyloxy-3,5-dimethoxy-phenyl)-butyl]-4-me...)
Show SMILES CCCCCCOc1c(OC)cc(CCCCc2scnc2C)cc1OC
Show InChI InChI=1S/C22H33NO3S/c1-5-6-7-10-13-26-22-19(24-3)14-18(15-20(22)25-4)11-8-9-12-21-17(2)23-16-27-21/h14-16H,5-13H2,1-4H3
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n/an/a 1.35E+4n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Activity against adenosine diphosphate (ADP) induced platelet aggregation


J Med Chem 38: 2130-7 (1995)


BindingDB Entry DOI: 10.7270/Q2J38RKC
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50035263
PNG
(CHEMBL66234 | [4-(3,5-Dimethoxy-4-octyloxy-benzoyl...)
Show SMILES CCCCCCCCOc1c(OC)cc(cc1OC)C(=O)OCCCC[N+](C)(C)C
Show InChI InChI=1S/C24H42NO5/c1-7-8-9-10-11-13-16-29-23-21(27-5)18-20(19-22(23)28-6)24(26)30-17-14-12-15-25(2,3)4/h18-19H,7-17H2,1-6H3/q+1
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n/an/a 1.38E+4n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Activity against adenosine diphosphate (ADP) induced platelet aggregation


J Med Chem 38: 2130-7 (1995)


BindingDB Entry DOI: 10.7270/Q2J38RKC
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50035265
PNG
(CHEMBL67396 | [2-(4-Hexyloxy-3,5-dimethoxy-benzoyl...)
Show SMILES CCCCCCOc1c(OC)cc(cc1OC)C(=O)OCc1ccccc1C[N+](C)(C)C
Show InChI InChI=1S/C26H38NO5/c1-7-8-9-12-15-31-25-23(29-5)16-22(17-24(25)30-6)26(28)32-19-21-14-11-10-13-20(21)18-27(2,3)4/h10-11,13-14,16-17H,7-9,12,15,18-19H2,1-6H3/q+1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Activity against adenosine diphosphate (ADP) induced platelet aggregation


J Med Chem 38: 2130-7 (1995)


BindingDB Entry DOI: 10.7270/Q2J38RKC
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50030276
PNG
(7-Acetimidoylamino-2-amino-heptanoic acid | CHEMBL...)
Show SMILES CC(=N)NCCCCCC(N)C(O)=O
Show InChI InChI=1S/C9H19N3O2/c1-7(10)12-6-4-2-3-5-8(11)9(13)14/h8H,2-6,11H2,1H3,(H2,10,12)(H,13,14)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Platelet-activating factor receptor


(Cavia porcellus)
BDBM50035257
PNG
(CHEMBL67031 | [4-(4-Hexyloxy-benzoyloxy)-butyl]-tr...)
Show SMILES CCCCCCOc1ccc(cc1)C(=O)OCCCC[N+](C)(C)C
Show InChI InChI=1S/C20H34NO3/c1-5-6-7-9-16-23-19-13-11-18(12-14-19)20(22)24-17-10-8-15-21(2,3)4/h11-14H,5-10,15-17H2,1-4H3/q+1
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n/an/a 2.25E+4n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Activity against adenosine diphosphate (ADP) induced platelet aggregation


J Med Chem 38: 2130-7 (1995)


BindingDB Entry DOI: 10.7270/Q2J38RKC
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50030277
PNG
((R)-6-Acetimidoylamino-2-amino-hexanoic acid | CHE...)
Show SMILES CC(=N)NCCCC[C@@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m1/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086462
PNG
((S)-3-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-p...)
Show SMILES CC(=N)NCCSC[C@@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c1-5(8)10-2-3-13-4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m1/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of endothelial Nitric Oxide Synthase in human


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086461
PNG
((R)-3-(2-acetimidoylamino-ethylsulfanyl)-2-amino-p...)
Show SMILES CC(=N)NCCSC[C@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c1-5(8)10-2-3-13-4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
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n/an/a 5.30E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086465
PNG
((R)-3-(3-Acetimidoylamino-propylsulfanyl)-2-amino-...)
Show SMILES CC(=N)NCCCSC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-2-4-14-5-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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n/an/a 6.20E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086468
PNG
((S)-3-(2-Acetimidoylamino-ethanesulfinyl)-2-amino-...)
Show SMILES CC(=N)NCCS(=O)C[C@@H](N)C(O)=O
Show InChI InChI=1S/C7H15N3O3S/c1-5(8)10-2-3-14(13)4-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-,14?/m1/s1
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n/an/a 6.80E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086459
PNG
(4-(2-Acetimidoylamino-ethoxy)-2-amino-butyric acid...)
Show SMILES CC(=N)NCCOCCC(N)C(O)=O
Show InChI InChI=1S/C8H17N3O3/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)
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n/an/a 7.20E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50030277
PNG
((R)-6-Acetimidoylamino-2-amino-hexanoic acid | CHE...)
Show SMILES CC(=N)NCCCC[C@@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2/c1-6(9)11-5-3-2-4-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m1/s1
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n/an/a 7.80E+4n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086471
PNG
((S)-3-(3-Acetimidoylamino-propoxy)-2-amino-propion...)
Show SMILES CC(=N)NCCCOC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O3/c1-6(9)11-3-2-4-14-5-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086463
PNG
((R)-3-(3-Acetimidoylamino-propane-1-sulfonyl)-2-am...)
Show SMILES CC(=N)NCCCS(=O)(=O)C[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O4S/c1-6(9)11-3-2-4-16(14,15)5-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086465
PNG
((R)-3-(3-Acetimidoylamino-propylsulfanyl)-2-amino-...)
Show SMILES CC(=N)NCCCSC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-2-4-14-5-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086470
PNG
((R)-4-(2-Acetimidoylamino-ethylsulfanyl)-2-amino-b...)
Show SMILES CC(=N)NCCSCC[C@@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m1/s1
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Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086463
PNG
((R)-3-(3-Acetimidoylamino-propane-1-sulfonyl)-2-am...)
Show SMILES CC(=N)NCCCS(=O)(=O)C[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O4S/c1-6(9)11-3-2-4-16(14,15)5-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086471
PNG
((S)-3-(3-Acetimidoylamino-propoxy)-2-amino-propion...)
Show SMILES CC(=N)NCCCOC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O3/c1-6(9)11-3-2-4-14-5-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086469
PNG
(4-(2-Acetimidoylamino-ethanesulfinyl)-2-amino-buty...)
Show SMILES CC(=N)NCCS(=O)CCC(N)C(O)=O
Show InChI InChI=1S/C8H17N3O3S/c1-6(9)11-3-5-15(14)4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50030276
PNG
(7-Acetimidoylamino-2-amino-heptanoic acid | CHEMBL...)
Show SMILES CC(=N)NCCCCCC(N)C(O)=O
Show InChI InChI=1S/C9H19N3O2/c1-7(10)12-6-4-2-3-5-8(11)9(13)14/h8H,2-6,11H2,1H3,(H2,10,12)(H,13,14)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human neuronal Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086460
PNG
(4-(2-Acetimidoylamino-ethanesulfonyl)-2-amino-buty...)
Show SMILES CC(=N)NCCS(=O)(=O)CCC(N)C(O)=O
Show InChI InChI=1S/C8H17N3O4S/c1-6(9)11-3-5-16(14,15)4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50086465
PNG
((R)-3-(3-Acetimidoylamino-propylsulfanyl)-2-amino-...)
Show SMILES CC(=N)NCCCSC[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O2S/c1-6(9)11-3-2-4-14-5-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086463
PNG
((R)-3-(3-Acetimidoylamino-propane-1-sulfonyl)-2-am...)
Show SMILES CC(=N)NCCCS(=O)(=O)C[C@H](N)C(O)=O
Show InChI InChI=1S/C8H17N3O4S/c1-6(9)11-3-2-4-16(14,15)5-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50086460
PNG
(4-(2-Acetimidoylamino-ethanesulfonyl)-2-amino-buty...)
Show SMILES CC(=N)NCCS(=O)(=O)CCC(N)C(O)=O
Show InChI InChI=1S/C8H17N3O4S/c1-6(9)11-3-5-16(14,15)4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of neuronal Nitric Oxide Synthase in human


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50030276
PNG
(7-Acetimidoylamino-2-amino-heptanoic acid | CHEMBL...)
Show SMILES CC(=N)NCCCCCC(N)C(O)=O
Show InChI InChI=1S/C9H19N3O2/c1-7(10)12-6-4-2-3-5-8(11)9(13)14/h8H,2-6,11H2,1H3,(H2,10,12)(H,13,14)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human endothelial Nitric Oxide Synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50086469
PNG
(4-(2-Acetimidoylamino-ethanesulfinyl)-2-amino-buty...)
Show SMILES CC(=N)NCCS(=O)CCC(N)C(O)=O
Show InChI InChI=1S/C8H17N3O3S/c1-6(9)11-3-5-15(14)4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human inducible nitric oxide synthase


Bioorg Med Chem Lett 10: 597-600 (2000)


BindingDB Entry DOI: 10.7270/Q21C1XDN
More data for this
Ligand-Target Pair
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