Found 6 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)) | BDBM50165429
((4aS,6aS,6bR,12aS)-11-Cyano-2,2,6a,6b,9,9,12a-hept...)Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)C5CC[C@@]34C)C2C1)C(O)=O |c:10,t:17| Show InChI InChI=1S/C31H41NO4/c1-26(2)10-12-31(25(35)36)13-11-29(6)19(20(31)16-26)14-21(33)23-28(5)15-18(17-32)24(34)27(3,4)22(28)8-9-30(23,29)7/h14-15,20,22-23H,8-13,16H2,1-7H3,(H,35,36)/t20?,22?,23?,28-,29+,30+,31-/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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Dartmouth College
Curated by ChEMBL
| Assay Description
Inhibition of inducible nitric oxide synthase in activated macrophages |
Bioorg Med Chem Lett 15: 2215-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.031
BindingDB Entry DOI: 10.7270/Q23N245R |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50165431
((4aS,6aS,6bR,12aR)-11-Cyano-2,2,6a,6b,9,9,12a-hept...)Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)C5CC[C@@]34C)C2C1)C(O)=O |c:10,t:16| Show InChI InChI=1S/C31H43NO3/c1-26(2)12-14-31(25(34)35)15-13-29(6)20(21(31)17-26)8-9-23-28(5)16-19(18-32)24(33)27(3,4)22(28)10-11-30(23,29)7/h8,16,21-23H,9-15,17H2,1-7H3,(H,34,35)/t21?,22?,23?,28-,29+,30+,31-/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 | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Dartmouth College
Curated by ChEMBL
| Assay Description
Inhibition of inducible nitric oxide synthase in activated macrophages |
Bioorg Med Chem Lett 15: 2215-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.031
BindingDB Entry DOI: 10.7270/Q23N245R |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50165436
((4aS,6aR,6bR,12aR)-2,2,6a,6b,9,9,12a-Heptamethyl-1...)Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(C2C1)C(=O)CC1[C@@]2(C)C=CC(=O)C(C)(C)C2CC[C@@]31C)C(O)=O |c:21| Show InChI InChI=1S/C30H44O4/c1-25(2)12-14-30(24(33)34)15-13-29(7)23(18(30)17-25)19(31)16-21-27(5)10-9-22(32)26(3,4)20(27)8-11-28(21,29)6/h9-10,18,20-21,23H,8,11-17H2,1-7H3,(H,33,34)/t18?,20?,21?,23?,27-,28+,29+,30-/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 | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dartmouth College
Curated by ChEMBL
| Assay Description
Inhibition of inducible nitric oxide synthase in activated macrophages |
Bioorg Med Chem Lett 15: 2215-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.031
BindingDB Entry DOI: 10.7270/Q23N245R |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50165432
((4aS,6aS,6bR,12aR)-2,2,6a,6b,9,9,12a-Heptamethyl-1...)Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C=CC(=O)C(C)(C)C5CC[C@@]34C)C2C1)C(O)=O |c:10,16| Show InChI InChI=1S/C30H44O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,11-12,20-22H,9-10,13-18H2,1-7H3,(H,32,33)/t20?,21?,22?,27-,28+,29+,30-/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 | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dartmouth College
Curated by ChEMBL
| Assay Description
Inhibition of inducible nitric oxide synthase in activated macrophages |
Bioorg Med Chem Lett 15: 2215-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.031
BindingDB Entry DOI: 10.7270/Q23N245R |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50346613
(CHEMBL470029 | Oleanonic Acid)Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10| Show InChI InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27-,28+,29+,30-/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
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dartmouth College
Curated by ChEMBL
| Assay Description
Inhibition of inducible nitric oxide synthase in activated macrophages |
Bioorg Med Chem Lett 15: 2215-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.031
BindingDB Entry DOI: 10.7270/Q23N245R |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50346601
(NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...)Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10| Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dartmouth College
Curated by ChEMBL
| Assay Description
Inhibition of inducible nitric oxide synthase in activated macrophages |
Bioorg Med Chem Lett 15: 2215-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.031
BindingDB Entry DOI: 10.7270/Q23N245R |
More data for this
Ligand-Target Pair | |
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