Found 13 hits of kd data for polymerid = 2225,3609 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50585157
(CHEMBL5087665)Show SMILES COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)\C=C\c1ccc(cc1)C(F)(F)F |r| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to recombinant human iNOS assessed as dissociation constant by surface plasmon resonance assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00578 BindingDB Entry DOI: 10.7270/Q2H9993V |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50346532
((R)-pyrrolidine-2-carboximidamide | CHEMBL1783097)Show InChI InChI=1S/C5H11N3/c6-5(7)4-2-1-3-8-4/h4,8H,1-3H2,(H3,6,7)/t4-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant iNOS delta 65 residue |
Bioorg Med Chem Lett 21: 3037-40 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.038 BindingDB Entry DOI: 10.7270/Q2FB538T |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM130385
(6(3amino2{5[2(6amino4methylpyridin2 yl)ethyl]pyrid...)Show SMILES Cc1cc(N)nc(CCc2cncc(c2)C(CN)Cc2cc(C)cc(N)n2)c1 |w:15.16| Show InChI InChI=1S/C22H28N6/c1-14-5-19(27-21(24)7-14)4-3-16-9-18(13-26-12-16)17(11-23)10-20-6-15(2)8-22(25)28-20/h5-9,12-13,17H,3-4,10-11,23H2,1-2H3,(H2,24,27)(H2,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 1.19E+3 | n/a | n/a | n/a | 7.5 | 25 |
University of California at Irvine
| Assay Description The buffer contained 50 mM HEPES (pH 7.5), 10% glycerol, and 100 mM NaCl, containing 1 mM imidazole. The spectral shift was monitored for a few minut... |
Biochemistry 53: 5272-9 (2014)
Article DOI: 10.1021/bi500561h BindingDB Entry DOI: 10.7270/Q2N01573 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50374677
(CHEMBL405231)Show InChI InChI=1S/C6H15N5O2/c7-4(5(12)13)2-1-3-10-6(8)11-9/h4H,1-3,7,9H2,(H,12,13)(H3,8,10,11)/t4-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity to truncated iNOS construct (1-490) by spectral assay |
J Med Chem 51: 924-31 (2008)
Article DOI: 10.1021/jm701119v BindingDB Entry DOI: 10.7270/Q2639QMP |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50230418
(CHEMBL260629 | N(gamma)-hydroxy-L-arginine | N-OME...)Show SMILES NC(NO)=NCCC[C@H]([NH3+])C([O-])=O |r,w:4.4| Show InChI InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid UniChem
Similars
| MMDB Article PubMed
| n/a | n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a |
University of Utrecht
Curated by ChEMBL
| Assay Description Binding affinity to iNOS with heme domain construct (unknown origin) assessed as spectral binding constant by spectral assay |
Bioorg Med Chem Lett 19: 1758-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.076 BindingDB Entry DOI: 10.7270/Q2P55NC7 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM21959
((2S)-2-amino-5-carbamimidamidopentanoic acid | ARG...)Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a |
University of Utrecht
Curated by ChEMBL
| Assay Description Binding affinity to iNOS with heme domain construct (unknown origin) assessed as spectral binding constant by spectral assay |
Bioorg Med Chem Lett 19: 1758-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.076 BindingDB Entry DOI: 10.7270/Q2P55NC7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM21959
((2S)-2-amino-5-carbamimidamidopentanoic acid | ARG...)Show SMILES [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity to truncated iNOS construct (1-490) by spectral assay |
J Med Chem 51: 924-31 (2008)
Article DOI: 10.1021/jm701119v BindingDB Entry DOI: 10.7270/Q2639QMP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50374674
(CHEMBL408756)Show InChI InChI=1S/C7H17N5O2/c1-12(10)7(9)11-4-2-3-5(8)6(13)14/h5H,2-4,8,10H2,1H3,(H2,9,11)(H,13,14)/t5-/m0/s1 | 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/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity to truncated iNOS construct (1-490) by spectral assay |
J Med Chem 51: 924-31 (2008)
Article DOI: 10.1021/jm701119v BindingDB Entry DOI: 10.7270/Q2639QMP |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50374676
(CHEMBL272814)Show InChI InChI=1S/C7H17N5O2/c1-10-12-7(9)11-4-2-3-5(8)6(13)14/h5,10H,2-4,8H2,1H3,(H,13,14)(H3,9,11,12)/t5-/m0/s1 | 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/a | n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity to truncated iNOS construct (1-490) by spectral assay |
J Med Chem 51: 924-31 (2008)
Article DOI: 10.1021/jm701119v BindingDB Entry DOI: 10.7270/Q2639QMP |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50346533
((S)-pyrrolidine-2-carboximidamide | CHEMBL1783098)Show InChI InChI=1S/C5H11N3/c6-5(7)4-2-1-3-8-4/h4,8H,1-3H2,(H3,6,7)/t4-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant iNOS delta 65 residue |
Bioorg Med Chem Lett 21: 3037-40 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.038 BindingDB Entry DOI: 10.7270/Q2FB538T |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50374675
(CHEMBL272851)Show InChI InChI=1S/C8H16F3N5O2/c9-8(10,11)4-16(14)7(13)15-3-1-2-5(12)6(17)18/h5H,1-4,12,14H2,(H2,13,15)(H,17,18)/t5-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 4.04E+4 | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity to truncated iNOS construct (1-490) by spectral assay |
J Med Chem 51: 924-31 (2008)
Article DOI: 10.1021/jm701119v BindingDB Entry DOI: 10.7270/Q2639QMP |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50266728
(4,4-difluoro-N(gamma)-hydroxy-L-arginine | CHEMBL4...)Show SMILES NC(NO)=NCC(F)(F)C[C@H]([NH3+])C([O-])=O |r,w:4.4| Show InChI InChI=1S/C6H12F2N4O3/c7-6(8,1-3(9)4(13)14)2-11-5(10)12-15/h3,15H,1-2,9H2,(H,13,14)(H3,10,11,12)/t3-/m0/s1 | 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/a | n/a | n/a | 1.16E+5 | n/a | n/a | n/a | n/a | n/a |
University of Utrecht
Curated by ChEMBL
| Assay Description Binding affinity to iNOS with heme domain construct (unknown origin) assessed as spectral binding constant by spectral assay |
Bioorg Med Chem Lett 19: 1758-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.076 BindingDB Entry DOI: 10.7270/Q2P55NC7 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50266727
(4,4-Difluoro-L-arginine | CHEMBL476416)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]C(F)(F)[#6]-[#6@H](-[#7+])-[#6](-[#8-])=O |r| Show InChI InChI=1S/C6H12F2N4O2/c7-6(8,2-12-5(10)11)1-3(9)4(13)14/h3H,1-2,9H2,(H,13,14)(H4,10,11,12)/t3-/m0/s1 | 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/a | n/a | n/a | 3.10E+6 | n/a | n/a | n/a | n/a | n/a |
University of Utrecht
Curated by ChEMBL
| Assay Description Binding affinity to iNOS with heme domain construct (unknown origin) assessed as spectral binding constant by spectral assay |
Bioorg Med Chem Lett 19: 1758-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.076 BindingDB Entry DOI: 10.7270/Q2P55NC7 |
More data for this Ligand-Target Pair | |