BDBM50115162 6-(4-Chloro-phenyl)-4-piperidin-1-yl-5,6,7,8-tetrahydro-pteridin-2-ylamine::CHEMBL101879

SMILES: Nc1nc2NCC(Nc2c(n1)N1CCCCC1)c1ccc(Cl)cc1

InChI Key: InChIKey=VLFZJRDUEIBKCU-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 = 50115162   

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))	BDBM50115162 (6-(4-Chloro-phenyl)-4-piperidin-1-yl-5,6,7,8-tetra...) Show SMILES Nc1nc2NCC(Nc2c(n1)N1CCCCC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H21ClN6/c18-12-6-4-11(5-7-12)13-10-20-15-14(21-13)16(23-17(19)22-15)24-8-2-1-3-9-24/h4-7,13,21H,1-3,8-10H2,(H3,19,20,22,23)	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	1.30E+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))	BDBM50115162 (6-(4-Chloro-phenyl)-4-piperidin-1-yl-5,6,7,8-tetra...) Show SMILES Nc1nc2NCC(Nc2c(n1)N1CCCCC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H21ClN6/c18-12-6-4-11(5-7-12)13-10-20-15-14(21-13)16(23-17(19)22-15)24-8-2-1-3-9-24/h4-7,13,21H,1-3,8-10H2,(H3,19,20,22,23)	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	1.06E+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))	BDBM50115162 (6-(4-Chloro-phenyl)-4-piperidin-1-yl-5,6,7,8-tetra...) Show SMILES Nc1nc2NCC(Nc2c(n1)N1CCCCC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H21ClN6/c18-12-6-4-11(5-7-12)13-10-20-15-14(21-13)16(23-17(19)22-15)24-8-2-1-3-9-24/h4-7,13,21H,1-3,8-10H2,(H3,19,20,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.47E+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))	BDBM50115162 (6-(4-Chloro-phenyl)-4-piperidin-1-yl-5,6,7,8-tetra...) Show SMILES Nc1nc2NCC(Nc2c(n1)N1CCCCC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H21ClN6/c18-12-6-4-11(5-7-12)13-10-20-15-14(21-13)16(23-17(19)22-15)24-8-2-1-3-9-24/h4-7,13,21H,1-3,8-10H2,(H3,19,20,22,23)	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	1.06E+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