BDBM50124528 CHEMBL170176::ethyl 4'-amino-1H,1'H-spiro[piperidine-4,2'-thieno[3,2-d]pyrimidine]-1-carboxylate::ethyl 4'-aminospiro[hexahydropyridine-4,2'-(1',2'-dihydrothieno[3,2-d]pyrimidine)]-1-carboxylate
SMILES: CCOC(=O)N1CCC2(CC1)Nc1ccsc1C(N)=N2
InChI Key: InChIKey=RLPGHWGMNJDXPL-UHFFFAOYSA-N
Data: 4 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50124528![]() (CHEMBL170176 | ethyl 4'-amino-1H,1'H-spiro[piperid...) | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R& D Charnwood Curated by ChEMBL | Assay Description Inhibitory activity of compound against human inducible nitiric oxide synthase | J Med Chem 46: 913-6 (2003) Article DOI: 10.1021/jm0255926 BindingDB Entry DOI: 10.7270/Q2S75H3M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, inducible (Homo sapiens (Human)) | BDBM50124528![]() (CHEMBL170176 | ethyl 4'-amino-1H,1'H-spiro[piperid...) | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of iNOS | J Med Chem 51: 2481-91 (2008) Article DOI: 10.1021/jm701314u BindingDB Entry DOI: 10.7270/Q2GX4CF5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, endothelial (Homo sapiens (Human)) | BDBM50124528![]() (CHEMBL170176 | ethyl 4'-amino-1H,1'H-spiro[piperid...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R& D Charnwood Curated by ChEMBL | Assay Description Inhibitory activity against human endothelial nitiric oxide synthase | J Med Chem 46: 913-6 (2003) Article DOI: 10.1021/jm0255926 BindingDB Entry DOI: 10.7270/Q2S75H3M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, brain (Homo sapiens (Human)) | BDBM50124528![]() (CHEMBL170176 | ethyl 4'-amino-1H,1'H-spiro[piperid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL 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 |
AstraZeneca R& D Charnwood Curated by ChEMBL | Assay Description Inhibitory activity against human neuronal nitiric oxide synthase | J Med Chem 46: 913-6 (2003) Article DOI: 10.1021/jm0255926 BindingDB Entry DOI: 10.7270/Q2S75H3M | |||||||||||
More data for this Ligand-Target Pair |