BDBM50095298 CHEMBL3589087

SMILES: CC(=N)NCc1cccc(CNC(=O)CCC(O)=O)c1

InChI Key: InChIKey=WROOAPRIQCUPFP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50095298   

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, inducible (Mus musculus (mouse))	BDBM50095298 (CHEMBL3589087) Show SMILES CC(=N)NCc1cccc(CNC(=O)CCC(O)=O)c1 Show InChI InChI=1S/C19H16Cl2N4O2/c1-27-11-4-5-12-13(7-11)19(25-6-2-3-18(25)26)24-23-17(12)8-14-15(20)9-22-10-16(14)21/h4-5,7,9-10H,2-3,6,8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	428	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 mouse recombinant iNOS using [3H]L-arginine substrate assessed as formation of [3H]L-citruline by liquid scintillation counting analysi...				ACS Med Chem Lett 6: 635-40 (2015) Article DOI: 10.1021/acsmedchemlett.5b00149 BindingDB Entry DOI: 10.7270/Q2C53NKC
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50095298 (CHEMBL3589087) Show SMILES CC(=N)NCc1cccc(CNC(=O)CCC(O)=O)c1 Show InChI InChI=1S/C19H16Cl2N4O2/c1-27-11-4-5-12-13(7-11)19(25-6-2-3-18(25)26)24-23-17(12)8-14-15(20)9-22-10-16(14)21/h4-5,7,9-10H,2-3,6,8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	428	n/a	n/a	n/a	n/a	n/a	n/a
University "G. d'Annunzio" of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged human iNOS expressed in Escherichia coli using L-arginine as substrate preincubated for 15 mins follo...				ACS Med Chem Lett 11: 1470-1475 (2020)
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM50095298 (CHEMBL3589087) Show SMILES CC(=N)NCc1cccc(CNC(=O)CCC(O)=O)c1 Show InChI InChI=1S/C19H16Cl2N4O2/c1-27-11-4-5-12-13(7-11)19(25-6-2-3-18(25)26)24-23-17(12)8-14-15(20)9-22-10-16(14)21/h4-5,7,9-10H,2-3,6,8H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	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 bovine recombinant eNOS using [3H]L-arginine substrate assessed as formation of [3H]L-citruline by liquid scintillation counting analys...				ACS Med Chem Lett 6: 635-40 (2015) Article DOI: 10.1021/acsmedchemlett.5b00149 BindingDB Entry DOI: 10.7270/Q2C53NKC
					More data for this Ligand-Target Pair