BDBM50090927 CHEMBL98086::peptoid-Dbu

SMILES: NCCN(CC(N)=O)C(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O

InChI Key: InChIKey=IPWFMTIKXICYNV-ZETCQYMHSA-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 = 50090927   

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))	BDBM50090927 (CHEMBL98086 | peptoid-Dbu) Show SMILES NCCN(CC(N)=O)C(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O Show InChI InChI=1S/C10H22N8O4/c11-3-5-17(6-8(13)19)9(20)7(12)2-1-4-15-10(14)16-18(21)22/h7H,1-6,11-12H2,(H2,13,19)(H3,14,15,16)/t7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity against bovine brain nNOS (neuronal).				J Med Chem 43: 2938-45 (2000) BindingDB Entry DOI: 10.7270/Q2NG4RBF
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM50090927 (CHEMBL98086 | peptoid-Dbu) Show SMILES NCCN(CC(N)=O)C(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O Show InChI InChI=1S/C10H22N8O4/c11-3-5-17(6-8(13)19)9(20)7(12)2-1-4-15-10(14)16-18(21)22/h7H,1-6,11-12H2,(H2,13,19)(H3,14,15,16)/t7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.55E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity against recombinant bovine Endothelial nitric oxide synthase.				J Med Chem 43: 2938-45 (2000) BindingDB Entry DOI: 10.7270/Q2NG4RBF
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50090927 (CHEMBL98086 | peptoid-Dbu) Show SMILES NCCN(CC(N)=O)C(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O Show InChI InChI=1S/C10H22N8O4/c11-3-5-17(6-8(13)19)9(20)7(12)2-1-4-15-10(14)16-18(21)22/h7H,1-6,11-12H2,(H2,13,19)(H3,14,15,16)/t7-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity against recombinant murine Inducible nitric oxide synthase.				J Med Chem 43: 2938-45 (2000) BindingDB Entry DOI: 10.7270/Q2NG4RBF
					More data for this Ligand-Target Pair