BDBM50170717 4-(1-Diazo-2,2,2-trifluoro-ethyl)-benzoic acid 2-amino-4-oxo-3,4-dihydro-pteridin-6-ylmethyl ester::CHEMBL364546

SMILES: Nc1nc2ncc(COC(=O)c3ccc(cc3)[C-]([N+]#N)C(F)(F)F)nc2c(=O)[nH]1

InChI Key: InChIKey=AYPJJECBXSRFII-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50170717   

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))	BDBM50170717 (4-(1-Diazo-2,2,2-trifluoro-ethyl)-benzoic acid 2-a...) Show SMILES Nc1nc2ncc(COC(=O)c3ccc(cc3)[C-]([N+]#N)C(F)(F)F)nc2c(=O)[nH]1 Show InChI InChI=1S/C16H10F3N7O3/c17-16(18,19)11(26-21)7-1-3-8(4-2-7)14(28)29-6-9-5-22-12-10(23-9)13(27)25-15(20)24-12/h1-5H,6H2,(H3,20,22,24,25,27)	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	3.74E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Curated by ChEMBL					Assay Description Inhibitory activity against human Nitric oxide synthase-II with 2 uM H4Bip for 30 min				J Med Chem 48: 4783-92 (2005) Article DOI: 10.1021/jm050007x BindingDB Entry DOI: 10.7270/Q28W3CTH
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50170717 (4-(1-Diazo-2,2,2-trifluoro-ethyl)-benzoic acid 2-a...) Show SMILES Nc1nc2ncc(COC(=O)c3ccc(cc3)[C-]([N+]#N)C(F)(F)F)nc2c(=O)[nH]1 Show InChI InChI=1S/C16H10F3N7O3/c17-16(18,19)11(26-21)7-1-3-8(4-2-7)14(28)29-6-9-5-22-12-10(23-9)13(27)25-15(20)24-12/h1-5H,6H2,(H3,20,22,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Curated by ChEMBL					Assay Description Inhibitory activity against human Nitric oxide synthase-I with 2 uM H4Bip for 30 min				J Med Chem 48: 4783-92 (2005) Article DOI: 10.1021/jm050007x BindingDB Entry DOI: 10.7270/Q28W3CTH
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50170717 (4-(1-Diazo-2,2,2-trifluoro-ethyl)-benzoic acid 2-a...) Show SMILES Nc1nc2ncc(COC(=O)c3ccc(cc3)[C-]([N+]#N)C(F)(F)F)nc2c(=O)[nH]1 Show InChI InChI=1S/C16H10F3N7O3/c17-16(18,19)11(26-21)7-1-3-8(4-2-7)14(28)29-6-9-5-22-12-10(23-9)13(27)25-15(20)24-12/h1-5H,6H2,(H3,20,22,24,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Curated by ChEMBL					Assay Description Inhibitory activity against human Nitric oxide synthase-III with 2 uM H4Bip for 30 min				J Med Chem 48: 4783-92 (2005) Article DOI: 10.1021/jm050007x BindingDB Entry DOI: 10.7270/Q28W3CTH
					More data for this Ligand-Target Pair