BDBM50115159 6-(4-Chloro-phenyl)-N*4*,N*4*-diethyl-5,6,7,8-tetrahydro-pteridine-2,4-diamine::CHEMBL319722

SMILES: CCN(CC)c1nc(N)nc2NCC(Nc12)c1ccc(Cl)cc1

InChI Key: InChIKey=IPHXEBOGNDNEFM-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 = 50115159   

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))	BDBM50115159 (6-(4-Chloro-phenyl)-N*4*,N*4*-diethyl-5,6,7,8-tetr...) Show SMILES CCN(CC)c1nc(N)nc2NCC(Nc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H21ClN6/c1-3-23(4-2)15-13-14(21-16(18)22-15)19-9-12(20-13)10-5-7-11(17)8-6-10/h5-8,12,20H,3-4,9H2,1-2H3,(H3,18,19,21,22)	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	8.00E+3	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))	BDBM50115159 (6-(4-Chloro-phenyl)-N*4*,N*4*-diethyl-5,6,7,8-tetr...) Show SMILES CCN(CC)c1nc(N)nc2NCC(Nc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H21ClN6/c1-3-23(4-2)15-13-14(21-16(18)22-15)19-9-12(20-13)10-5-7-11(17)8-6-10/h5-8,12,20H,3-4,9H2,1-2H3,(H3,18,19,21,22)	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	1.40E+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))	BDBM50115159 (6-(4-Chloro-phenyl)-N*4*,N*4*-diethyl-5,6,7,8-tetr...) Show SMILES CCN(CC)c1nc(N)nc2NCC(Nc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H21ClN6/c1-3-23(4-2)15-13-14(21-16(18)22-15)19-9-12(20-13)10-5-7-11(17)8-6-10/h5-8,12,20H,3-4,9H2,1-2H3,(H3,18,19,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.67E+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-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))	BDBM50115159 (6-(4-Chloro-phenyl)-N*4*,N*4*-diethyl-5,6,7,8-tetr...) Show SMILES CCN(CC)c1nc(N)nc2NCC(Nc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H21ClN6/c1-3-23(4-2)15-13-14(21-16(18)22-15)19-9-12(20-13)10-5-7-11(17)8-6-10/h5-8,12,20H,3-4,9H2,1-2H3,(H3,18,19,21,22)	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	3.07E+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