Found 116 hits with Last Name = 'zhuang' and Initial = 'h' 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 |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50576849
(CHEMBL4876008)Show SMILES Cl.CCOC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CC(C)C |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Direct inhibition of CYP3A4 in human hepatocytes |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112373 BindingDB Entry DOI: 10.7270/Q2XP78Q8 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50576849
(CHEMBL4876008)Show SMILES Cl.CCOC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CC(C)C |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP2D6 in human hepatocytes |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112373 BindingDB Entry DOI: 10.7270/Q2XP78Q8 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50576849
(CHEMBL4876008)Show SMILES Cl.CCOC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CC(C)C |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP2C19 in human hepatocytes |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112373 BindingDB Entry DOI: 10.7270/Q2XP78Q8 |
More data for this Ligand-Target Pair | |
POU domain, class 2, transcription factor 2
(Homo sapiens (Human)) | BDBM50576849
(CHEMBL4876008)Show SMILES Cl.CCOC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CC(C)C |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of OCT2 (unknown origin) expressed in HEK293 cells |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112373 BindingDB Entry DOI: 10.7270/Q2XP78Q8 |
More data for this Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1B1
(Homo sapiens (Human)) | BDBM50576849
(CHEMBL4876008)Show SMILES Cl.CCOC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CC(C)C |r| | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112373 BindingDB Entry DOI: 10.7270/Q2XP78Q8 |
More data for this Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1B3
(Homo sapiens (Human)) | BDBM50576849
(CHEMBL4876008)Show SMILES Cl.CCOC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CC(C)C |r| | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of OATP1B3 (unknown origin) expressed in HEK293 cells |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112373 BindingDB Entry DOI: 10.7270/Q2XP78Q8 |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 6
(Homo sapiens (Human)) | BDBM50576849
(CHEMBL4876008)Show SMILES Cl.CCOC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CC(C)C |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of OAT1 (unknown origin) expressed in HEK293 cells |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112373 BindingDB Entry DOI: 10.7270/Q2XP78Q8 |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 6
(Homo sapiens (Human)) | BDBM50576849
(CHEMBL4876008)Show SMILES Cl.CCOC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CC(C)C |r| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of OAT3 (unknown origin) expressed in HEK293 cells |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112373 BindingDB Entry DOI: 10.7270/Q2XP78Q8 |
More data for this Ligand-Target Pair | |
POU domain, class 2, transcription factor 1
(Homo sapiens (Human)) | BDBM50576849
(CHEMBL4876008)Show SMILES Cl.CCOC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CC(C)C |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of OCT1 (unknown origin) expressed in HEK293 cells |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112373 BindingDB Entry DOI: 10.7270/Q2XP78Q8 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50576849
(CHEMBL4876008)Show SMILES Cl.CCOC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CC(C)C |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP2C8 in human hepatocytes |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112373 BindingDB Entry DOI: 10.7270/Q2XP78Q8 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50576849
(CHEMBL4876008)Show SMILES Cl.CCOC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CC(C)C |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP2B6 in human hepatocytes |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112373 BindingDB Entry DOI: 10.7270/Q2XP78Q8 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50576849
(CHEMBL4876008)Show SMILES Cl.CCOC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CC(C)C |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP1A2 in human hepatocytes |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112373 BindingDB Entry DOI: 10.7270/Q2XP78Q8 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50576849
(CHEMBL4876008)Show SMILES Cl.CCOC(=O)[C@@H](Cc1cn(C)c2ccccc12)NC(=O)[C@@H](N)CC(C)C |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of CYP2C9 in human hepatocytes |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112373 BindingDB Entry DOI: 10.7270/Q2XP78Q8 |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29236
(quinolinone, 7)Show SMILES O=C(N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1)c1ccco1 Show InChI InChI=1S/C21H16N2O3/c24-20-13-15(17-9-4-5-10-18(17)22-20)14-23(16-7-2-1-3-8-16)21(25)19-11-6-12-26-19/h1-13H,14H2,(H,22,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29237
(quinolinone, 8)Show SMILES Fc1cccc2c(CN(C(=O)c3ccco3)c3ccccc3)cc(=O)[nH]c12 Show InChI InChI=1S/C21H15FN2O3/c22-17-9-4-8-16-14(12-19(25)23-20(16)17)13-24(15-6-2-1-3-7-15)21(26)18-10-5-11-27-18/h1-12H,13H2,(H,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29238
(quinolinone, 9)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1 Show InChI InChI=1S/C21H17N3O2S/c1-14-20(27-13-22-14)21(26)24(16-7-3-2-4-8-16)12-15-11-19(25)23-18-10-6-5-9-17(15)18/h2-11,13H,12H2,1H3,(H,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 500 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29239
(quinolinone, 10)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccccc1 Show InChI InChI=1S/C21H16FN3O2S/c1-13-20(28-12-23-13)21(27)25(15-6-3-2-4-7-15)11-14-10-18(26)24-19-16(14)8-5-9-17(19)22/h2-10,12H,11H2,1H3,(H,24,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29240
(quinolinone, 11)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccccc1Cl Show InChI InChI=1S/C21H15ClFN3O2S/c1-12-20(29-11-24-12)21(28)26(17-8-3-2-6-15(17)22)10-13-9-18(27)25-19-14(13)5-4-7-16(19)23/h2-9,11H,10H2,1H3,(H,25,27) | 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 | n/a | 1.30E+4 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29241
(quinolinone, 12)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H15ClFN3O2S/c1-12-20(29-11-24-12)21(28)26(15-5-2-4-14(22)9-15)10-13-8-18(27)25-19-16(13)6-3-7-17(19)23/h2-9,11H,10H2,1H3,(H,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29242
(quinolinone, 13)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H15ClFN3O2S/c1-12-20(29-11-24-12)21(28)26(15-7-5-14(22)6-8-15)10-13-9-18(27)25-19-16(13)3-2-4-17(19)23/h2-9,11H,10H2,1H3,(H,25,27) | 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 | n/a | 240 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29243
(quinolinone, 14)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(F)c1 Show InChI InChI=1S/C21H15F2N3O2S/c1-12-20(29-11-24-12)21(28)26(15-5-2-4-14(22)9-15)10-13-8-18(27)25-19-16(13)6-3-7-17(19)23/h2-9,11H,10H2,1H3,(H,25,27) | 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 | n/a | 62 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29244
(quinolinone, 15)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(c1)C#N Show InChI InChI=1S/C22H15FN4O2S/c1-13-21(30-12-25-13)22(29)27(16-5-2-4-14(8-16)10-24)11-15-9-19(28)26-20-17(15)6-3-7-18(20)23/h2-9,12H,11H2,1H3,(H,26,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 56 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29245
(quinolinone, 16)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(C)c1 Show InChI InChI=1S/C22H18FN3O2S/c1-13-5-3-6-16(9-13)26(22(28)21-14(2)24-12-29-21)11-15-10-19(27)25-20-17(15)7-4-8-18(20)23/h3-10,12H,11H2,1-2H3,(H,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29246
(quinolinone, 17)Show SMILES COc1cccc(c1)N(Cc1cc(=O)[nH]c2c(F)cccc12)C(=O)c1scnc1C Show InChI InChI=1S/C22H18FN3O3S/c1-13-21(30-12-24-13)22(28)26(15-5-3-6-16(10-15)29-2)11-14-9-19(27)25-20-17(14)7-4-8-18(20)23/h3-10,12H,11H2,1-2H3,(H,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 990 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29247
(quinolinone, 18)Show SMILES Fc1cccc2c(CN(C(=O)c3cncs3)c3cccc(Cl)c3)cc(=O)[nH]c12 Show InChI InChI=1S/C20H13ClFN3O2S/c21-13-3-1-4-14(8-13)25(20(27)17-9-23-11-28-17)10-12-7-18(26)24-19-15(12)5-2-6-16(19)22/h1-9,11H,10H2,(H,24,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 53 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29248
(quinolinone, 19)Show SMILES Cc1ncccc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C23H17ClFN3O2/c1-14-18(8-4-10-26-14)23(30)28(17-6-2-5-16(24)12-17)13-15-11-21(29)27-22-19(15)7-3-9-20(22)25/h2-12H,13H2,1H3,(H,27,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 350 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29249
(quinolinone, 20)Show SMILES Cc1cnccc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C23H17ClFN3O2/c1-14-12-26-9-8-18(14)23(30)28(17-5-2-4-16(24)11-17)13-15-10-21(29)27-22-19(15)6-3-7-20(22)25/h2-12H,13H2,1H3,(H,27,29) | 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 | n/a | 89 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29250
(quinolinone, 21)Show SMILES Cc1ccncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C23H17ClFN3O2/c1-14-8-9-26-12-19(14)23(30)28(17-5-2-4-16(24)11-17)13-15-10-21(29)27-22-18(15)6-3-7-20(22)25/h2-12H,13H2,1H3,(H,27,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 49 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29251
(quinolinone, 22)Show SMILES Cc1cccnc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C23H17ClFN3O2/c1-14-5-4-10-26-21(14)23(30)28(17-7-2-6-16(24)12-17)13-15-11-20(29)27-22-18(15)8-3-9-19(22)25/h2-12H,13H2,1H3,(H,27,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 420 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29252
(quinolinone, 23)Show SMILES Cn1cncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H16ClFN4O2/c1-26-12-24-10-18(26)21(29)27(15-5-2-4-14(22)9-15)11-13-8-19(28)25-20-16(13)6-3-7-17(20)23/h2-10,12H,11H2,1H3,(H,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 9 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29253
(quinolinone, 24)Show SMILES Cc1noc(C)c1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C22H17ClFN3O3/c1-12-20(13(2)30-26-12)22(29)27(16-6-3-5-15(23)10-16)11-14-9-19(28)25-21-17(14)7-4-8-18(21)24/h3-10H,11H2,1-2H3,(H,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29254
(quinolinone, 25)Show SMILES Fc1cccc2c(CN(C(=O)C3CCCC3)c3cccc(Cl)c3)cc(=O)[nH]c12 Show InChI InChI=1S/C22H20ClFN2O2/c23-16-7-3-8-17(12-16)26(22(28)14-5-1-2-6-14)13-15-11-20(27)25-21-18(15)9-4-10-19(21)24/h3-4,7-12,14H,1-2,5-6,13H2,(H,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 770 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29255
(quinolinone, 26)Show SMILES CC(C)C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C20H18ClFN2O2/c1-12(2)20(26)24(15-6-3-5-14(21)10-15)11-13-9-18(25)23-19-16(13)7-4-8-17(19)22/h3-10,12H,11H2,1-2H3,(H,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 160 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29256
(pyridinone, 27)Show SMILES Cc1ncsc1C(=O)N(Cc1cc[nH]c(=O)c1)c1cccc(Cl)c1 Show InChI InChI=1S/C17H14ClN3O2S/c1-11-16(24-10-20-11)17(23)21(14-4-2-3-13(18)8-14)9-12-5-6-19-15(22)7-12/h2-8,10H,9H2,1H3,(H,19,22) | 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 | n/a | >1.00E+5 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29257
(tetrahydroquinolinone, 28)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2CCCCc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H20ClN3O2S/c1-13-20(28-12-23-13)21(27)25(16-6-4-5-15(22)10-16)11-14-9-19(26)24-18-8-3-2-7-17(14)18/h4-6,9-10,12H,2-3,7-8,11H2,1H3,(H,24,26) | 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 | n/a | 1.14E+3 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29258
(coumarin, 29)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)oc2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H14ClFN2O3S/c1-12-20(29-11-24-12)21(27)25(15-5-2-4-14(22)9-15)10-13-8-18(26)28-19-16(13)6-3-7-17(19)23/h2-9,11H,10H2,1H3 | 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 | n/a | 2.00E+3 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29259
(quinoline, 30)Show SMILES COc1cc(CN(C(=O)c2scnc2C)c2cccc(Cl)c2)c2cccc(F)c2n1 Show InChI InChI=1S/C22H17ClFN3O2S/c1-13-21(30-12-25-13)22(28)27(16-6-3-5-15(23)10-16)11-14-9-19(29-2)26-20-17(14)7-4-8-18(20)24/h3-10,12H,11H2,1-2H3 | 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 | n/a | >1.00E+5 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29260
(quinolinone, 31)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)n(C)c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C22H17ClFN3O2S/c1-13-21(30-12-25-13)22(29)27(16-6-3-5-15(23)10-16)11-14-9-19(28)26(2)20-17(14)7-4-8-18(20)24/h3-10,12H,11H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29261
(quinolinone, 36)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(Cl)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H15Cl2N3O2S/c1-12-20(29-11-24-12)21(28)26(15-5-2-4-14(22)9-15)10-13-8-18(27)25-19-16(13)6-3-7-17(19)23/h2-9,11H,10H2,1H3,(H,25,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29262
(quinoline, 32)Show SMILES Cc1ncsc1C(=O)N(Cc1ccnc2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H15ClFN3OS/c1-13-20(28-12-25-13)21(27)26(16-5-2-4-15(22)10-16)11-14-8-9-24-19-17(14)6-3-7-18(19)23/h2-10,12H,11H2,1H3 | 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 | n/a | >1.00E+5 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29263
(8-fluoroisoquinoline, 33)Show SMILES Cc1ncsc1C(=O)N(Cc1cncc2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H15ClFN3OS/c1-13-20(28-12-25-13)21(27)26(16-5-2-4-15(22)8-16)11-14-9-24-10-18-17(14)6-3-7-19(18)23/h2-10,12H,11H2,1H3 | 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 | n/a | 760 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29264
(isoquinoline N-oxide, 34)Show SMILES Cc1ncsc1C(=O)N(Cc1c[n+]([O-])cc2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H15ClFN3O2S/c1-13-20(29-12-24-13)21(27)26(16-5-2-4-15(22)8-16)10-14-9-25(28)11-18-17(14)6-3-7-19(18)23/h2-9,11-12H,10H2,1H3 | 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 | n/a | 87 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM29265
(quinolinone, 35)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H16ClN3O2S/c1-13-20(28-12-23-13)21(27)25(16-6-4-5-15(22)10-16)11-14-9-19(26)24-18-8-3-2-7-17(14)18/h2-10,12H,11H2,1H3,(H,24,26) | 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 | n/a | 170 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM29236
(quinolinone, 7)Show SMILES O=C(N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1)c1ccco1 Show InChI InChI=1S/C21H16N2O3/c24-20-13-15(17-9-4-5-10-18(17)22-20)14-23(16-7-2-1-3-8-16)21(25)19-11-6-12-26-19/h1-13H,14H2,(H,22,24) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM29237
(quinolinone, 8)Show SMILES Fc1cccc2c(CN(C(=O)c3ccco3)c3ccccc3)cc(=O)[nH]c12 Show InChI InChI=1S/C21H15FN2O3/c22-17-9-4-8-16-14(12-19(25)23-20(16)17)13-24(15-6-2-1-3-7-15)21(26)18-10-5-11-27-18/h1-12H,13H2,(H,23,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM29238
(quinolinone, 9)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1 Show InChI InChI=1S/C21H17N3O2S/c1-14-20(27-13-22-14)21(26)24(16-7-3-2-4-8-16)12-15-11-19(25)23-18-10-6-5-9-17(15)18/h2-11,13H,12H2,1H3,(H,23,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM29239
(quinolinone, 10)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccccc1 Show InChI InChI=1S/C21H16FN3O2S/c1-13-20(28-12-23-13)21(27)25(15-6-3-2-4-7-15)11-14-10-18(26)24-19-16(14)8-5-9-17(19)22/h2-10,12H,11H2,1H3,(H,24,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM29240
(quinolinone, 11)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccccc1Cl Show InChI InChI=1S/C21H15ClFN3O2S/c1-12-20(29-11-24-12)21(28)26(17-8-3-2-6-15(17)22)10-13-9-18(27)25-19-14(13)5-4-7-16(19)23/h2-9,11H,10H2,1H3,(H,25,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM29241
(quinolinone, 12)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 Show InChI InChI=1S/C21H15ClFN3O2S/c1-12-20(29-11-24-12)21(28)26(15-5-2-4-14(22)9-15)10-13-8-18(27)25-19-16(13)6-3-7-17(19)23/h2-9,11H,10H2,1H3,(H,25,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2.60E+4 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM29242
(quinolinone, 13)Show SMILES Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H15ClFN3O2S/c1-12-20(29-11-24-12)21(28)26(15-7-5-14(22)6-8-15)10-13-9-18(27)25-19-16(13)3-2-4-17(19)23/h2-9,11H,10H2,1H3,(H,25,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | 25 |
Kalypsys Inc.
| Assay Description HEK293 cells (ATCC) were transiently transfected with recombinant NOS and grown. Cells were trypsinized, resuspended to 5 00,000 cells/mL, and plated... |
J Med Chem 52: 3047-62 (2009)
Article DOI: 10.1021/jm900173b BindingDB Entry DOI: 10.7270/Q2D798RB |
More data for this Ligand-Target Pair | |