BDBM50115136 2-Amino-5-benzoyl-5,6,7,8-tetrahydro-3H-pteridin-4-one::CHEMBL101495

SMILES: Nc1nc2NCCN(C(=O)c3ccccc3)c2c(=O)[nH]1

InChI Key: InChIKey=CEVLENUPGOKMCS-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50115136   

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, brain (Homo sapiens (Human))	BDBM50115136 (2-Amino-5-benzoyl-5,6,7,8-tetrahydro-3H-pteridin-4...) Show SMILES Nc1nc2NCCN(C(=O)c3ccccc3)c2c(=O)[nH]1 Show InChI InChI=1S/C13H13N5O2/c14-13-16-10-9(11(19)17-13)18(7-6-15-10)12(20)8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,14,15,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Curated by ChEMBL					Assay Description Inhibitory activity against human neuronal nitric oxide synthase (NOS-I)				J Med Chem 45: 2923-41 (2002) BindingDB Entry DOI: 10.7270/Q2571BBK
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50115136 (2-Amino-5-benzoyl-5,6,7,8-tetrahydro-3H-pteridin-4...) Show SMILES Nc1nc2NCCN(C(=O)c3ccccc3)c2c(=O)[nH]1 Show InChI InChI=1S/C13H13N5O2/c14-13-16-10-9(11(19)17-13)18(7-6-15-10)12(20)8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,14,15,16,17,19)	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+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-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, inducible (Homo sapiens (Human))	BDBM50115136 (2-Amino-5-benzoyl-5,6,7,8-tetrahydro-3H-pteridin-4...) Show SMILES Nc1nc2NCCN(C(=O)c3ccccc3)c2c(=O)[nH]1 Show InChI InChI=1S/C13H13N5O2/c14-13-16-10-9(11(19)17-13)18(7-6-15-10)12(20)8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,14,15,16,17,19)	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	>5.00E+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, endothelial (Homo sapiens (Human))	BDBM50115136 (2-Amino-5-benzoyl-5,6,7,8-tetrahydro-3H-pteridin-4...) Show SMILES Nc1nc2NCCN(C(=O)c3ccccc3)c2c(=O)[nH]1 Show InChI InChI=1S/C13H13N5O2/c14-13-16-10-9(11(19)17-13)18(7-6-15-10)12(20)8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,14,15,16,17,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+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