BDBM50115130 1-Benzyl-3-(2-isobutyrylamino-4-oxo-6,7-diphenyl-4,6,7,8-tetrahydro-3H-pteridine-5-carbonyl)-pyridinium::CHEMBL321741

SMILES: CC(C)C(=O)Nc1nc2NC(C(N(C(=O)c3ccc[n+](Cc4ccccc4)c3)c2c(=O)[nH]1)c1ccccc1)c1ccccc1

InChI Key: InChIKey=ZVWDWHLXLHRYDF-UHFFFAOYSA-O

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 = 50115130   

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))	BDBM50115130 (1-Benzyl-3-(2-isobutyrylamino-4-oxo-6,7-diphenyl-4...) Show SMILES CC(C)C(=O)Nc1nc2NC(C(N(C(=O)c3ccc[n+](Cc4ccccc4)c3)c2c(=O)[nH]1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H32N6O3/c1-23(2)32(42)38-35-37-31-30(33(43)39-35)41(34(44)27-19-12-20-40(22-27)21-24-13-6-3-7-14-24)29(26-17-10-5-11-18-26)28(36-31)25-15-8-4-9-16-25/h3-20,22-23,28-29H,21H2,1-2H3,(H2-,36,37,38,39,42,43)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+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))	BDBM50115130 (1-Benzyl-3-(2-isobutyrylamino-4-oxo-6,7-diphenyl-4...) Show SMILES CC(C)C(=O)Nc1nc2NC(C(N(C(=O)c3ccc[n+](Cc4ccccc4)c3)c2c(=O)[nH]1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H32N6O3/c1-23(2)32(42)38-35-37-31-30(33(43)39-35)41(34(44)27-19-12-20-40(22-27)21-24-13-6-3-7-14-24)29(26-17-10-5-11-18-26)28(36-31)25-15-8-4-9-16-25/h3-20,22-23,28-29H,21H2,1-2H3,(H2-,36,37,38,39,42,43)/p+1	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	1.11E+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, endothelial (Homo sapiens (Human))	BDBM50115130 (1-Benzyl-3-(2-isobutyrylamino-4-oxo-6,7-diphenyl-4...) Show SMILES CC(C)C(=O)Nc1nc2NC(C(N(C(=O)c3ccc[n+](Cc4ccccc4)c3)c2c(=O)[nH]1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H32N6O3/c1-23(2)32(42)38-35-37-31-30(33(43)39-35)41(34(44)27-19-12-20-40(22-27)21-24-13-6-3-7-14-24)29(26-17-10-5-11-18-26)28(36-31)25-15-8-4-9-16-25/h3-20,22-23,28-29H,21H2,1-2H3,(H2-,36,37,38,39,42,43)/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.53E+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
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50115130 (1-Benzyl-3-(2-isobutyrylamino-4-oxo-6,7-diphenyl-4...) Show SMILES CC(C)C(=O)Nc1nc2NC(C(N(C(=O)c3ccc[n+](Cc4ccccc4)c3)c2c(=O)[nH]1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H32N6O3/c1-23(2)32(42)38-35-37-31-30(33(43)39-35)41(34(44)27-19-12-20-40(22-27)21-24-13-6-3-7-14-24)29(26-17-10-5-11-18-26)28(36-31)25-15-8-4-9-16-25/h3-20,22-23,28-29H,21H2,1-2H3,(H2-,36,37,38,39,42,43)/p+1	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	1.23E+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