BDBM50348721 CHEMBL1801490

SMILES: CC(C)Cc1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12

InChI Key: InChIKey=KPIBTYOXTSLBPM-UHFFFAOYSA-N

Data: 4 EC50

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 = 50348721   

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 (Homo sapiens (Human))	BDBM50348721 (CHEMBL1801490) Show SMILES CC(C)Cc1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12 Show InChI InChI=1S/C21H19F2N3O/c1-12(2)9-18-24-16-5-3-4-6-17(16)26(18)11-13-10-19(27)25-21-14(13)7-8-15(22)20(21)23/h3-8,10,12H,9,11H2,1-2H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Kalypsys, Inc Curated by ChEMBL					Assay Description Inhibition of human eNOS expressed in HEK293 cells assessed as inhibition A23187 induced nitric oxide production incubated for 24 hrs measured after ...				J Med Chem 53: 7739-55 (2010) Article DOI: 10.1021/jm100828n BindingDB Entry DOI: 10.7270/Q29Z9584
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50348721 (CHEMBL1801490) Show SMILES CC(C)Cc1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12 Show InChI InChI=1S/C21H19F2N3O/c1-12(2)9-18-24-16-5-3-4-6-17(16)26(18)11-13-10-19(27)25-21-14(13)7-8-15(22)20(21)23/h3-8,10,12H,9,11H2,1-2H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a
Kalypsys, Inc Curated by ChEMBL					Assay Description Inhibition of mouse iNOS expressed in HEK293 cells assessed as inhibition of nitric oxide production after 18 hrs using 2,3-diaminonaphthalene by flu...				J Med Chem 53: 7739-55 (2010) Article DOI: 10.1021/jm100828n BindingDB Entry DOI: 10.7270/Q29Z9584
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50348721 (CHEMBL1801490) Show SMILES CC(C)Cc1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12 Show InChI InChI=1S/C21H19F2N3O/c1-12(2)9-18-24-16-5-3-4-6-17(16)26(18)11-13-10-19(27)25-21-14(13)7-8-15(22)20(21)23/h3-8,10,12H,9,11H2,1-2H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	690	n/a	n/a	n/a	n/a
Kalypsys, Inc Curated by ChEMBL					Assay Description Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...				J Med Chem 53: 7739-55 (2010) Article DOI: 10.1021/jm100828n BindingDB Entry DOI: 10.7270/Q29Z9584
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50348721 (CHEMBL1801490) Show SMILES CC(C)Cc1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12 Show InChI InChI=1S/C21H19F2N3O/c1-12(2)9-18-24-16-5-3-4-6-17(16)26(18)11-13-10-19(27)25-21-14(13)7-8-15(22)20(21)23/h3-8,10,12H,9,11H2,1-2H3,(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	380	n/a	n/a	n/a	n/a
Kalypsys, Inc Curated by ChEMBL					Assay Description Inhibition of human iNOS expressed in HEK293 cells assessed as inhibition of nitric oxide production after 18 hrs using 2,3-diaminonaphthalene by flu...				J Med Chem 53: 7739-55 (2010) Article DOI: 10.1021/jm100828n BindingDB Entry DOI: 10.7270/Q29Z9584
					More data for this Ligand-Target Pair