BDBM50438646 CHEMBL2414427

SMILES: Cc1cc(N)nc(CCCCCCc2cc(C)cc(N)n2)c1

InChI Key: InChIKey=QCPNKHMVANSVGN-UHFFFAOYSA-N

Data: 3 KI

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 = 50438646   

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 (Rattus norvegicus (rat))	BDBM50438646 (CHEMBL2414427) Show SMILES Cc1cc(N)nc(CCCCCCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C18H26N4/c1-13-9-15(21-17(19)11-13)7-5-3-4-6-8-16-10-14(2)12-18(20)22-16/h9-12H,3-8H2,1-2H3,(H2,19,21)(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of recombinant rat nNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide measured up to 6...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50438646 (CHEMBL2414427) Show SMILES Cc1cc(N)nc(CCCCCCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C18H26N4/c1-13-9-15(21-17(19)11-13)7-5-3-4-6-8-16-10-14(2)12-18(20)22-16/h9-12H,3-8H2,1-2H3,(H2,19,21)(H2,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of recombinant mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide mea...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM50438646 (CHEMBL2414427) Show SMILES Cc1cc(N)nc(CCCCCCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C18H26N4/c1-13-9-15(21-17(19)11-13)7-5-3-4-6-8-16-10-14(2)12-18(20)22-16/h9-12H,3-8H2,1-2H3,(H2,19,21)(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of recombinant bovine eNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide measured up t...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair