Found 13 hits of Enzyme Inhibition Constant Data 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)) | BDBM50207099
(4-(benzo[d][1,3]dioxol-5-yloxy)-2-(2-chloro-4-(1H-...)Show SMILES Cc1cc(Oc2ccc3OCOc3c2)nc(Oc2ccc(cc2Cl)-n2ccnc2)n1 Show InChI InChI=1S/C21H15ClN4O4/c1-13-8-20(29-15-3-5-18-19(10-15)28-12-27-18)25-21(24-13)30-17-4-2-14(9-16(17)22)26-7-6-23-11-26/h2-11H,12H2,1H3 | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of iNOS in human A172 cells after 18 to 24 hrs |
Bioorg Med Chem Lett 17: 2505-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.018
BindingDB Entry DOI: 10.7270/Q2XG9QTP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50207101
(2-(4-(1H-imidazol-1-yl)phenoxy)-4-(benzo[d][1,3]di...)Show SMILES C1Oc2ccc(Oc3ccnc(Oc4ccc(cc4)-n4ccnc4)n3)cc2O1 Show InChI InChI=1S/C20H14N4O4/c1-3-15(4-2-14(1)24-10-9-21-12-24)28-20-22-8-7-19(23-20)27-16-5-6-17-18(11-16)26-13-25-17/h1-12H,13H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of iNOS in human A172 cells after 18 to 24 hrs |
Bioorg Med Chem Lett 17: 2505-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.018
BindingDB Entry DOI: 10.7270/Q2XG9QTP |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50207102
(4-(4-(1H-imidazol-1-yl)phenoxy)-2-(benzo[d][1,3]di...)Show SMILES C1Oc2ccc(Oc3nccc(Oc4ccc(cc4)-n4ccnc4)n3)cc2O1 Show InChI InChI=1S/C20H14N4O4/c1-3-15(4-2-14(1)24-10-9-21-12-24)27-19-7-8-22-20(23-19)28-16-5-6-17-18(11-16)26-13-25-17/h1-12H,13H2 | 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 | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of iNOS in human A172 cells after 18 to 24 hrs |
Bioorg Med Chem Lett 17: 2505-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.018
BindingDB Entry DOI: 10.7270/Q2XG9QTP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50207096
(2-(4-(1H-imidazol-1-yl)phenoxy)-6-(benzo[d][1,3]di...)Show SMILES C1Oc2ccc(Oc3cccc(Oc4ccc(cc4)-n4ccnc4)n3)cc2O1 Show InChI InChI=1S/C21H15N3O4/c1-2-20(27-16-6-4-15(5-7-16)24-11-10-22-13-24)23-21(3-1)28-17-8-9-18-19(12-17)26-14-25-18/h1-13H,14H2 | 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 | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of iNOS in human A172 cells after 18 to 24 hrs |
Bioorg Med Chem Lett 17: 2505-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.018
BindingDB Entry DOI: 10.7270/Q2XG9QTP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50207104
(2-(4-(1H-imidazol-1-yl)phenoxy)-4-(benzo[d][1,3]di...)Show SMILES Cc1cc(Oc2ccc3OCOc3c2)nc(Oc2ccc(cc2)-n2ccnc2)n1 Show InChI InChI=1S/C21H16N4O4/c1-14-10-20(28-17-6-7-18-19(11-17)27-13-26-18)24-21(23-14)29-16-4-2-15(3-5-16)25-9-8-22-12-25/h2-12H,13H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of iNOS in human A172 cells after 18 to 24 hrs |
Bioorg Med Chem Lett 17: 2505-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.018
BindingDB Entry DOI: 10.7270/Q2XG9QTP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50207100
(4-(benzo[d][1,3]dioxol-5-yloxy)-2-(2-fluoro-4-(1H-...)Show SMILES Cc1cc(Oc2ccc3OCOc3c2)nc(Oc2ccc(cc2F)-n2ccnc2)n1 Show InChI InChI=1S/C21H15FN4O4/c1-13-8-20(29-15-3-5-18-19(10-15)28-12-27-18)25-21(24-13)30-17-4-2-14(9-16(17)22)26-7-6-23-11-26/h2-11H,12H2,1H3 | 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 | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of iNOS in human A172 cells after 18 to 24 hrs |
Bioorg Med Chem Lett 17: 2505-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.018
BindingDB Entry DOI: 10.7270/Q2XG9QTP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50207106
(2-(4-(1H-imidazol-1-yl)phenoxy)-4-(benzo[d][1,3]di...)Show SMILES Cc1cnc(Oc2ccc(cc2)-n2ccnc2)nc1Oc1ccc2OCOc2c1 Show InChI InChI=1S/C21H16N4O4/c1-14-11-23-21(29-16-4-2-15(3-5-16)25-9-8-22-12-25)24-20(14)28-17-6-7-18-19(10-17)27-13-26-18/h2-12H,13H2,1H3 | 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 | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of iNOS in human A172 cells after 18 to 24 hrs |
Bioorg Med Chem Lett 17: 2505-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.018
BindingDB Entry DOI: 10.7270/Q2XG9QTP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50207097
(6-(4-(1H-imidazol-1-yl)phenoxy)-2-(benzo[d][1,3]di...)Show SMILES CN(C)CCCN(C)c1cc(Oc2ccc(cc2)-n2ccnc2)nc(Cc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C27H30N6O3/c1-31(2)12-4-13-32(3)26-17-27(36-22-8-6-21(7-9-22)33-14-11-28-18-33)30-25(29-26)16-20-5-10-23-24(15-20)35-19-34-23/h5-11,14-15,17-18H,4,12-13,16,19H2,1-3H3 | 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 | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of iNOS in human A172 cells after 18 to 24 hrs |
Bioorg Med Chem Lett 17: 2505-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.018
BindingDB Entry DOI: 10.7270/Q2XG9QTP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50207103
(2-(4-(1H-imidazol-1-yl)-2-(trifluoromethyl)phenoxy...)Show SMILES Cc1cc(Oc2ccc3OCOc3c2)nc(Oc2ccc(cc2C(F)(F)F)-n2ccnc2)n1 Show InChI InChI=1S/C22H15F3N4O4/c1-13-8-20(32-15-3-5-18-19(10-15)31-12-30-18)28-21(27-13)33-17-4-2-14(29-7-6-26-11-29)9-16(17)22(23,24)25/h2-11H,12H2,1H3 | 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 | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of iNOS in human A172 cells after 18 to 24 hrs |
Bioorg Med Chem Lett 17: 2505-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.018
BindingDB Entry DOI: 10.7270/Q2XG9QTP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50207105
(2-(4-(1H-imidazol-1-yl)phenoxy)-6-(benzo[d][1,3]di...)Show SMILES Cc1c(F)c(Oc2ccc(cc2)-n2ccnc2)nc(Oc2ccc3OCOc3c2)c1F Show InChI InChI=1S/C22H15F2N3O4/c1-13-19(23)21(30-15-4-2-14(3-5-15)27-9-8-25-11-27)26-22(20(13)24)31-16-6-7-17-18(10-16)29-12-28-17/h2-11H,12H2,1H3 | 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 | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of iNOS in human A172 cells after 18 to 24 hrs |
Bioorg Med Chem Lett 17: 2505-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.018
BindingDB Entry DOI: 10.7270/Q2XG9QTP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50207098
(4-(4-(1H-imidazol-1-yl)phenoxy)-2-(benzo[d][1,3]di...)Show SMILES C(c1ccc2OCOc2c1)c1nc(Oc2ccc(cc2)-n2ccnc2)cc(n1)N1CCOCC1 Show InChI InChI=1S/C25H23N5O4/c1-6-21-22(33-17-32-21)13-18(1)14-23-27-24(29-9-11-31-12-10-29)15-25(28-23)34-20-4-2-19(3-5-20)30-8-7-26-16-30/h1-8,13,15-16H,9-12,14,17H2 | 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 | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of iNOS in human A172 cells after 18 to 24 hrs |
Bioorg Med Chem Lett 17: 2505-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.018
BindingDB Entry DOI: 10.7270/Q2XG9QTP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50207107
(4-(4-(1H-imidazol-1-yl)phenoxy)-6-(benzo[d][1,3]di...)Show SMILES C1Oc2ccc(Oc3cc(Oc4ccc(cc4)-n4ccnc4)ncn3)cc2O1 Show InChI InChI=1S/C20H14N4O4/c1-3-15(4-2-14(1)24-8-7-21-12-24)27-19-10-20(23-11-22-19)28-16-5-6-17-18(9-16)26-13-25-17/h1-12H,13H2 | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of iNOS in human A172 cells after 18 to 24 hrs |
Bioorg Med Chem Lett 17: 2505-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.018
BindingDB Entry DOI: 10.7270/Q2XG9QTP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50207095
(4-(4-(1H-imidazol-1-yl)phenoxy)-2-(benzo[d][1,3]di...)Show SMILES Clc1cc(Oc2ccc(cc2)-n2ccnc2)nc(Cc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C21H15ClN4O3/c22-19-11-21(29-16-4-2-15(3-5-16)26-8-7-23-12-26)25-20(24-19)10-14-1-6-17-18(9-14)28-13-27-17/h1-9,11-12H,10,13H2 | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences
Curated by ChEMBL
| Assay Description
Inhibition of iNOS in human A172 cells after 18 to 24 hrs |
Bioorg Med Chem Lett 17: 2505-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.018
BindingDB Entry DOI: 10.7270/Q2XG9QTP |
More data for this
Ligand-Target Pair | |
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