BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 134 hits with Last Name = 'kramer' and Initial = 'sw'   
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
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50064015
PNG
(7-Propyl-azepan-(2Z)-ylideneamine; hydrochloride |...)
Show SMILES CCCC1CCCCC(N)=N1 |c:9|
Show InChI InChI=1S/C9H18N2/c1-2-5-8-6-3-4-7-9(10)11-8/h8H,2-7H2,1H3,(H2,10,11)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against L-arginine binding to Inducible nitric oxide synthase


J Med Chem 41: 1361-6 (1998)


Article DOI: 10.1021/jm9704715
BindingDB Entry DOI: 10.7270/Q2348M29
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50286050
PNG
(4-[4-(4-Fluoro-phenyl)-thiophen-3-yl]-benzenesulfo...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cscc1-c1ccc(F)cc1
Show InChI InChI=1S/C16H12FNO2S2/c17-13-5-1-11(2-6-13)15-9-21-10-16(15)12-3-7-14(8-4-12)22(18,19)20/h1-10H,(H2,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 5: 2919-2922 (1995)


Article DOI: 10.1016/0960-894X(95)00512-R
BindingDB Entry DOI: 10.7270/Q2HM58D2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50286047
PNG
(4-[4-(3-Fluoro-4-methoxy-phenyl)-thiophen-3-yl]-be...)
Show SMILES COc1ccc(cc1F)-c1cscc1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H14FNO3S2/c1-22-17-7-4-12(8-16(17)18)15-10-23-9-14(15)11-2-5-13(6-3-11)24(19,20)21/h2-10H,1H3,(H2,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 5: 2919-2922 (1995)


Article DOI: 10.1016/0960-894X(95)00512-R
BindingDB Entry DOI: 10.7270/Q2HM58D2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50029600
PNG
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 5: 2919-2922 (1995)


Article DOI: 10.1016/0960-894X(95)00512-R
BindingDB Entry DOI: 10.7270/Q2HM58D2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50286048
PNG
(2-Bromo-3-(4-fluoro-phenyl)-4-(4-methanesulfonyl-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1csc(Br)c1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-22-17(18)16(15)12-2-6-13(19)7-3-12/h2-10H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 5: 2919-2922 (1995)


Article DOI: 10.1016/0960-894X(95)00512-R
BindingDB Entry DOI: 10.7270/Q2HM58D2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50286052
PNG
(3-(3-Fluoro-4-methoxy-phenyl)-4-(4-methanesulfonyl...)
Show SMILES COc1ccc(cc1F)-c1cscc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H15FO3S2/c1-22-18-8-5-13(9-17(18)19)16-11-23-10-15(16)12-3-6-14(7-4-12)24(2,20)21/h3-11H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 5: 2919-2922 (1995)


Article DOI: 10.1016/0960-894X(95)00512-R
BindingDB Entry DOI: 10.7270/Q2HM58D2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289968
PNG
(4-[1-Ethyl-4-(4-fluoro-phenyl)-5-trifluoromethyl-1...)
Show SMILES CCn1nc(c(c1C(F)(F)F)-c1ccc(F)cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H15F4N3O2S/c1-2-25-17(18(20,21)22)15(11-3-7-13(19)8-4-11)16(24-25)12-5-9-14(10-6-12)28(23,26)27/h3-10H,2H2,1H3,(H2,23,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 33n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 7: 2121-2124 (1997)


Article DOI: 10.1016/S0960-894X(97)00372-7
BindingDB Entry DOI: 10.7270/Q2H9956J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289969
PNG
(4-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-1...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nn(CCc2ccccc2)c(c1-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C25H20F4N2O2S/c1-34(32,33)21-13-9-19(10-14-21)23-22(18-7-11-20(26)12-8-18)24(25(27,28)29)31(30-23)16-15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 45n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 7: 2121-2124 (1997)


Article DOI: 10.1016/S0960-894X(97)00372-7
BindingDB Entry DOI: 10.7270/Q2H9956J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50286051
PNG
(3-(4-Methanesulfonyl-phenyl)-4-(4-methoxy-phenyl)-...)
Show SMILES COc1ccc(cc1)-c1cscc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H16O3S2/c1-21-15-7-3-13(4-8-15)17-11-22-12-18(17)14-5-9-16(10-6-14)23(2,19)20/h3-12H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 5: 2919-2922 (1995)


Article DOI: 10.1016/0960-894X(95)00512-R
BindingDB Entry DOI: 10.7270/Q2HM58D2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289977
PNG
(1-Allyl-4-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nn(CC=C)c(c1-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C20H16F4N2O2S/c1-3-12-26-19(20(22,23)24)17(13-4-8-15(21)9-5-13)18(25-26)14-6-10-16(11-7-14)29(2,27)28/h3-11H,1,12H2,2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 75n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 7: 2121-2124 (1997)


Article DOI: 10.1016/S0960-894X(97)00372-7
BindingDB Entry DOI: 10.7270/Q2H9956J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50286046
PNG
(3-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-t...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cscc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H13FO2S2/c1-22(19,20)15-8-4-13(5-9-15)17-11-21-10-16(17)12-2-6-14(18)7-3-12/h2-11H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 5: 2919-2922 (1995)


Article DOI: 10.1016/0960-894X(95)00512-R
BindingDB Entry DOI: 10.7270/Q2HM58D2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50029616
PNG
(5-(4-Fluoro-phenyl)-1-(4-methanesulfonyl-phenyl)-3...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C17H12F4N2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 7: 2121-2124 (1997)


Article DOI: 10.1016/S0960-894X(97)00372-7
BindingDB Entry DOI: 10.7270/Q2H9956J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289975
PNG
(1-Ethyl-4-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)
Show SMILES CCn1nc(c(c1C(F)(F)F)-c1ccc(F)cc1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H16F4N2O2S/c1-3-25-18(19(21,22)23)16(12-4-8-14(20)9-5-12)17(24-25)13-6-10-15(11-7-13)28(2,26)27/h4-11H,3H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 7: 2121-2124 (1997)


Article DOI: 10.1016/S0960-894X(97)00372-7
BindingDB Entry DOI: 10.7270/Q2H9956J
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50064015
PNG
(7-Propyl-azepan-(2Z)-ylideneamine; hydrochloride |...)
Show SMILES CCCC1CCCCC(N)=N1 |c:9|
Show InChI InChI=1S/C9H18N2/c1-2-5-8-6-3-4-7-9(10)11-8/h8H,2-7H2,1H3,(H2,10,11)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated for soluble cell extract of human Inducible nitric oxide synthase and partially purified by DEAE-sepharose chromatograp...


J Med Chem 41: 1361-6 (1998)


Article DOI: 10.1021/jm9704715
BindingDB Entry DOI: 10.7270/Q2348M29
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50066778
PNG
(5-Ethyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hyd...)
Show SMILES CCC1N=C(N)CC1C |t:3|
Show InChI InChI=1S/C7H14N2/c1-3-6-5(2)4-7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase


J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50066778
PNG
(5-Ethyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hyd...)
Show SMILES CCC1N=C(N)CC1C |t:3|
Show InChI InChI=1S/C7H14N2/c1-3-6-5(2)4-7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)


J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50064018
PNG
(7-Allyl-azepan-(2Z)-ylideneamine; hydrochloride | ...)
Show SMILES NC1=NC(CC=C)CCCC1 |t:1|
Show InChI InChI=1S/C9H16N2/c1-2-5-8-6-3-4-7-9(10)11-8/h2,8H,1,3-7H2,(H2,10,11)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated for soluble cell extract of human Inducible nitric oxide synthase and partially purified by DEAE-sepharose chromatograp...


J Med Chem 41: 1361-6 (1998)


Article DOI: 10.1021/jm9704715
BindingDB Entry DOI: 10.7270/Q2348M29
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50066775
PNG
(5-Pentyl-4-trifluoromethyl-pyrrolidin-(2E)-ylidene...)
Show SMILES CCCCCC1N=C(N)CC1C(F)(F)F |t:6|
Show InChI InChI=1S/C10H17F3N2/c1-2-3-4-5-8-7(10(11,12)13)6-9(14)15-8/h7-8H,2-6H2,1H3,(H2,14,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)


J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50066785
PNG
(4-Methyl-5-propyl-pyrrolidin-(2E)-ylideneamine; hy...)
Show SMILES CCCC1N=C(N)CC1C |t:4|
Show InChI InChI=1S/C8H16N2/c1-3-4-7-6(2)5-8(9)10-7/h6-7H,3-5H2,1-2H3,(H2,9,10)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)


J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50066774
PNG
(4-Methyl-5-pentyl-pyrrolidin-(2E)-ylideneamine; hy...)
Show SMILES CCCCCC1N=C(N)CC1C |t:6|
Show InChI InChI=1S/C10H20N2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 360n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)


J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50066774
PNG
(4-Methyl-5-pentyl-pyrrolidin-(2E)-ylideneamine; hy...)
Show SMILES CCCCCC1N=C(N)CC1C |t:6|
Show InChI InChI=1S/C10H20N2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 360n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)


J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50066785
PNG
(4-Methyl-5-propyl-pyrrolidin-(2E)-ylideneamine; hy...)
Show SMILES CCCC1N=C(N)CC1C |t:4|
Show InChI InChI=1S/C8H16N2/c1-3-4-7-6(2)5-8(9)10-7/h6-7H,3-5H2,1-2H3,(H2,9,10)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 390n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase


J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289970
PNG
(CHEMBL65793 | [4-(4-Fluoro-phenyl)-3-(4-methanesul...)
Show SMILES CCOC(=O)Cn1nc(c(c1C(F)(F)F)-c1ccc(F)cc1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H18F4N2O4S/c1-3-31-17(28)12-27-20(21(23,24)25)18(13-4-8-15(22)9-5-13)19(26-27)14-6-10-16(11-7-14)32(2,29)30/h4-11H,3,12H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 440n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 7: 2121-2124 (1997)


Article DOI: 10.1016/S0960-894X(97)00372-7
BindingDB Entry DOI: 10.7270/Q2H9956J
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50064015
PNG
(7-Propyl-azepan-(2Z)-ylideneamine; hydrochloride |...)
Show SMILES CCCC1CCCCC(N)=N1 |c:9|
Show InChI InChI=1S/C9H18N2/c1-2-5-8-6-3-4-7-9(10)11-8/h8H,2-7H2,1H3,(H2,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 460n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated from soluble cell extract of human Neuronal nitric oxide synthase and partially purified by DEAE-sepharose chromatograp...


J Med Chem 41: 1361-6 (1998)


Article DOI: 10.1021/jm9704715
BindingDB Entry DOI: 10.7270/Q2348M29
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289973
PNG
(2-[4-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nn(CC(=O)Nc2ccccc2)c(c1-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C25H19F4N3O3S/c1-36(34,35)20-13-9-17(10-14-20)23-22(16-7-11-18(26)12-8-16)24(25(27,28)29)32(31-23)15-21(33)30-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,30,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 480n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 7: 2121-2124 (1997)


Article DOI: 10.1016/S0960-894X(97)00372-7
BindingDB Entry DOI: 10.7270/Q2H9956J
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50225106
PNG
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)
Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8|
Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human endothelial constitutive Endothelial nitric oxide synthase (heNOS)


J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50225106
PNG
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)
Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8|
Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase


J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50064011
PNG
(7-Butyl-azepan-(2Z)-ylideneamine; hydrochloride | ...)
Show SMILES CCCCC1CCCCC(N)=N1 |c:10|
Show InChI InChI=1S/C10H20N2/c1-2-3-6-9-7-4-5-8-10(11)12-9/h9H,2-8H2,1H3,(H2,11,12)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated for soluble cell extract of human Inducible nitric oxide synthase and partially purified by DEAE-sepharose chromatograp...


J Med Chem 41: 1361-6 (1998)


Article DOI: 10.1021/jm9704715
BindingDB Entry DOI: 10.7270/Q2348M29
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50289976
PNG
(4-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-1...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nn(CCc2ccccc2)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C24H21FN2O2S/c1-30(28,29)22-13-9-20(10-14-22)24-23(19-7-11-21(25)12-8-19)17-27(26-24)16-15-18-5-3-2-4-6-18/h2-14,17H,15-16H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 530n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 7: 2121-2124 (1997)


Article DOI: 10.1016/S0960-894X(97)00372-7
BindingDB Entry DOI: 10.7270/Q2H9956J
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50064015
PNG
(7-Propyl-azepan-(2Z)-ylideneamine; hydrochloride |...)
Show SMILES CCCC1CCCCC(N)=N1 |c:9|
Show InChI InChI=1S/C9H18N2/c1-2-5-8-6-3-4-7-9(10)11-8/h8H,2-7H2,1H3,(H2,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
The ability of compound to inhibit mouse Inducible nitric oxide synthase in LPS stimulated mouse RAW cells was determined


J Med Chem 41: 1361-6 (1998)


Article DOI: 10.1021/jm9704715
BindingDB Entry DOI: 10.7270/Q2348M29
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50064018
PNG
(7-Allyl-azepan-(2Z)-ylideneamine; hydrochloride | ...)
Show SMILES NC1=NC(CC=C)CCCC1 |t:1|
Show InChI InChI=1S/C9H16N2/c1-2-5-8-6-3-4-7-9(10)11-8/h2,8H,1,3-7H2,(H2,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
The ability of compound to inhibit mouse Inducible nitric oxide synthase in LPS stimulated mouse RAW cells was determined


J Med Chem 41: 1361-6 (1998)


Article DOI: 10.1021/jm9704715
BindingDB Entry DOI: 10.7270/Q2348M29
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50066779
PNG
(5-Butyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hyd...)
Show SMILES CCCCC1N=C(N)CC1C |t:5|
Show InChI InChI=1S/C9H18N2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3,(H2,10,11)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 660n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)


J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50286053
PNG
(2,5-Dibromo-3-(4-fluoro-phenyl)-4-(4-methanesulfon...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1c(Br)sc(Br)c1-c1ccc(F)cc1
Show InChI InChI=1S/C17H11Br2FO2S2/c1-24(21,22)13-8-4-11(5-9-13)15-14(16(18)23-17(15)19)10-2-6-12(20)7-3-10/h2-9H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 5: 2919-2922 (1995)


Article DOI: 10.1016/0960-894X(95)00512-R
BindingDB Entry DOI: 10.7270/Q2HM58D2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50029600
PNG
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 810n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 5: 2919-2922 (1995)


Article DOI: 10.1016/0960-894X(95)00512-R
BindingDB Entry DOI: 10.7270/Q2HM58D2
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50064011
PNG
(7-Butyl-azepan-(2Z)-ylideneamine; hydrochloride | ...)
Show SMILES CCCCC1CCCCC(N)=N1 |c:10|
Show InChI InChI=1S/C10H20N2/c1-2-3-6-9-7-4-5-8-10(11)12-9/h9H,2-8H2,1H3,(H2,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 850n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated from soluble cell extract of human nNeuronal nitric oxide synthase and partially purified by DEAE-sepharose chromatogra...


J Med Chem 41: 1361-6 (1998)


Article DOI: 10.1021/jm9704715
BindingDB Entry DOI: 10.7270/Q2348M29
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50066779
PNG
(5-Butyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hyd...)
Show SMILES CCCCC1N=C(N)CC1C |t:5|
Show InChI InChI=1S/C9H18N2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3,(H2,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 850n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase


J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50064018
PNG
(7-Allyl-azepan-(2Z)-ylideneamine; hydrochloride | ...)
Show SMILES NC1=NC(CC=C)CCCC1 |t:1|
Show InChI InChI=1S/C9H16N2/c1-2-5-8-6-3-4-7-9(10)11-8/h2,8H,1,3-7H2,(H2,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 870n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated from soluble cell extract of human Neuronal nitric oxide synthase and partially purified by DEAE-sepharose chromatograp...


J Med Chem 41: 1361-6 (1998)


Article DOI: 10.1021/jm9704715
BindingDB Entry DOI: 10.7270/Q2348M29
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50286051
PNG
(3-(4-Methanesulfonyl-phenyl)-4-(4-methoxy-phenyl)-...)
Show SMILES COc1ccc(cc1)-c1cscc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H16O3S2/c1-21-15-7-3-13(4-8-15)17-11-22-12-18(17)14-5-9-16(10-6-14)23(2,19)20/h3-12H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 5: 2919-2922 (1995)


Article DOI: 10.1016/0960-894X(95)00512-R
BindingDB Entry DOI: 10.7270/Q2HM58D2
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50289968
PNG
(4-[1-Ethyl-4-(4-fluoro-phenyl)-5-trifluoromethyl-1...)
Show SMILES CCn1nc(c(c1C(F)(F)F)-c1ccc(F)cc1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H15F4N3O2S/c1-2-25-17(18(20,21)22)15(11-3-7-13(19)8-4-11)16(24-25)12-5-9-14(10-6-12)28(23,26)27/h3-10H,2H2,1H3,(H2,23,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 1.36E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human COX-1(Cyclooxygenase-1)


Bioorg Med Chem Lett 7: 2121-2124 (1997)


Article DOI: 10.1016/S0960-894X(97)00372-7
BindingDB Entry DOI: 10.7270/Q2H9956J
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50066780
PNG
(4-Methyl-pyrrolidin-(2E)-ylideneamine; hydrochlori...)
Show SMILES CC1CN=C(N)C1 |t:3|
Show InChI InChI=1S/C5H10N2/c1-4-2-5(6)7-3-4/h4H,2-3H2,1H3,(H2,6,7)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)


J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50064011
PNG
(7-Butyl-azepan-(2Z)-ylideneamine; hydrochloride | ...)
Show SMILES CCCCC1CCCCC(N)=N1 |c:10|
Show InChI InChI=1S/C10H20N2/c1-2-3-6-9-7-4-5-8-10(11)12-9/h9H,2-8H2,1H3,(H2,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
The ability of compound to inhibit mouse Inducible nitric oxide synthase in LPS stimulated mouse RAW cells was determined


J Med Chem 41: 1361-6 (1998)


Article DOI: 10.1021/jm9704715
BindingDB Entry DOI: 10.7270/Q2348M29
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50066778
PNG
(5-Ethyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hyd...)
Show SMILES CCC1N=C(N)CC1C |t:3|
Show InChI InChI=1S/C7H14N2/c1-3-6-5(2)4-7(8)9-6/h5-6H,3-4H2,1-2H3,(H2,8,9)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human endothelial constitutive Endothelial nitric oxide synthase (heNOS)


J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50064010
PNG
(3-Ethyl-azepan-(2Z)-ylideneamine; hydrochloride | ...)
Show SMILES CCC1CCCCN=C1N |c:7|
Show InChI InChI=1S/C8H16N2/c1-2-7-5-3-4-6-10-8(7)9/h7H,2-6H2,1H3,(H2,9,10)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated for soluble cell extract of human Inducible nitric oxide synthase and partially purified by DEAE-sepharose chromatograp...


J Med Chem 41: 1361-6 (1998)


Article DOI: 10.1021/jm9704715
BindingDB Entry DOI: 10.7270/Q2348M29
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50286050
PNG
(4-[4-(4-Fluoro-phenyl)-thiophen-3-yl]-benzenesulfo...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cscc1-c1ccc(F)cc1
Show InChI InChI=1S/C16H12FNO2S2/c17-13-5-1-11(2-6-13)15-9-21-10-16(15)12-3-7-14(8-4-12)22(18,19)20/h1-10H,(H2,18,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant Prostaglandin G/H synthase 1


Bioorg Med Chem Lett 5: 2919-2922 (1995)


Article DOI: 10.1016/0960-894X(95)00512-R
BindingDB Entry DOI: 10.7270/Q2HM58D2
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50064013
PNG
(7-(2-Ethyl-butyl)-azepan-(2Z)-ylideneamine; hydroc...)
Show SMILES CCC(CC)CC1CCCCC(N)=N1 |c:12|
Show InChI InChI=1S/C12H24N2/c1-3-10(4-2)9-11-7-5-6-8-12(13)14-11/h10-11H,3-9H2,1-2H3,(H2,13,14)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated for soluble cell extract of human Inducible nitric oxide synthase and partially purified by DEAE-sepharose chromatograp...


J Med Chem 41: 1361-6 (1998)


Article DOI: 10.1021/jm9704715
BindingDB Entry DOI: 10.7270/Q2348M29
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50049257
PNG
(Azepan-(2Z)-ylideneamine | CHEMBL315857 | CHEMBL54...)
Show SMILES NC1=NCCCCC1 |t:1|
Show InChI InChI=1S/C6H12N2/c7-6-4-2-1-3-5-8-6/h1-5H2,(H2,7,8)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated for soluble cell extract of human Inducible nitric oxide synthase and partially purified by DEAE-sepharose chromatograp...


J Med Chem 41: 1361-6 (1998)


Article DOI: 10.1021/jm9704715
BindingDB Entry DOI: 10.7270/Q2348M29
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50064010
PNG
(3-Ethyl-azepan-(2Z)-ylideneamine; hydrochloride | ...)
Show SMILES CCC1CCCCN=C1N |c:7|
Show InChI InChI=1S/C8H16N2/c1-2-7-5-3-4-6-10-8(7)9/h7H,2-6H2,1H3,(H2,9,10)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated from soluble cell extract of Neuronal nitric oxide synthase and partially purified by DEAE-sepharose chromatography


J Med Chem 41: 1361-6 (1998)


Article DOI: 10.1021/jm9704715
BindingDB Entry DOI: 10.7270/Q2348M29
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50066777
PNG
(5-Benzyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hy...)
Show SMILES CC1CC(N)=NC1Cc1ccccc1 |c:4|
Show InChI InChI=1S/C12H16N2/c1-9-7-12(13)14-11(9)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H2,13,14)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)


J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50066777
PNG
(5-Benzyl-4-methyl-pyrrolidin-(2E)-ylideneamine; hy...)
Show SMILES CC1CC(N)=NC1Cc1ccccc1 |c:4|
Show InChI InChI=1S/C12H16N2/c1-9-7-12(13)14-11(9)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H2,13,14)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human inducible nitric oxide synthase (hiNOS)


J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50066781
PNG
(3-Methyl-pyrrolidin-(2E)-ylideneamine; hydrochlori...)
Show SMILES CC1CCN=C1N |c:4|
Show InChI InChI=1S/C5H10N2/c1-4-2-3-7-5(4)6/h4H,2-3H2,1H3,(H2,6,7)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase


J Med Chem 41: 3675-83 (1998)


Article DOI: 10.1021/jm970840x
BindingDB Entry DOI: 10.7270/Q2XP75MP
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 134 total )  |  Next  |  Last  >>
Jump to: