BDBM50403472 CHEMBL4169004

SMILES: Cl.Cl.CC(C)C[C@H](N)C(=O)NCc1cccc(CNC(C)=N)c1

InChI Key: InChIKey=ZLWNKQVWHKWFSP-LHEMBZLFSA-N

Data: 2 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 2 hits for monomerid = 50403472   

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, endothelial (Bos taurus (bovine))	BDBM50403472 (CHEMBL4169004) Show SMILES Cl.Cl.CC(C)C[C@H](N)C(=O)NCc1cccc(CNC(C)=N)c1 |r| Show InChI InChI=1S/C31H43N5O5/c1-18(2)9-25(35-30(41)36-31-14-19-10-20(15-31)12-21(11-19)16-31)29(40)34-26(28(39)32-8-7-27(37)38)13-22-17-33-24-6-4-3-5-23(22)24/h3-6,17-21,25-26,33H,7-16H2,1-2H3,(H,32,39)(H,34,40)(H,37,38)(H2,35,36,41)/t19?,20?,21?,25-,26+,31?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant bovine eNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50403472 (CHEMBL4169004) Show SMILES Cl.Cl.CC(C)C[C@H](N)C(=O)NCc1cccc(CNC(C)=N)c1 |r| Show InChI InChI=1S/C31H43N5O5/c1-18(2)9-25(35-30(41)36-31-14-19-10-20(15-31)12-21(11-19)16-31)29(40)34-26(28(39)32-8-7-27(37)38)13-22-17-33-24-6-4-3-5-23(22)24/h3-6,17-21,25-26,33H,7-16H2,1-2H3,(H,32,39)(H,34,40)(H,37,38)(H2,35,36,41)/t19?,20?,21?,25-,26+,31?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	253	n/a	n/a	n/a	n/a	n/a	n/a
University of Chieti "G. d'Annunzio" Curated by ChEMBL					Assay Description Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincubated for 15 mins followed by NADPH addition measured after 20 mins in ...				Eur J Med Chem 152: 53-64 (2018) Article DOI: 10.1016/j.ejmech.2018.04.027 BindingDB Entry DOI: 10.7270/Q2C2500M
					More data for this Ligand-Target Pair