BDBM50023385 CHEMBL3327300

SMILES: Fc1cccc(CO[C@H]2CN[C@H](COc3cccc(NC(=N)c4cccs4)c3)C2)c1

InChI Key: InChIKey=HLECSTVLNOYLRU-PZJWPPBQSA-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 = 50023385   

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))	BDBM50023385 (CHEMBL3327300) Show SMILES Fc1cccc(CO[C@H]2CN[C@H](COc3cccc(NC(=N)c4cccs4)c3)C2)c1 |r| Show InChI InChI=1S/C23H24FN3O2S/c24-17-5-1-4-16(10-17)14-28-21-12-19(26-13-21)15-29-20-7-2-6-18(11-20)27-23(25)22-8-3-9-30-22/h1-11,19,21,26H,12-15H2,(H2,25,27)/t19-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	101	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 rat nNOS using L-arginine substrate				Bioorg Med Chem Lett 24: 4504-10 (2014) Article DOI: 10.1016/j.bmcl.2014.07.079 BindingDB Entry DOI: 10.7270/Q2542Q57
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM50023385 (CHEMBL3327300) Show SMILES Fc1cccc(CO[C@H]2CN[C@H](COc3cccc(NC(=N)c4cccs4)c3)C2)c1 |r| Show InChI InChI=1S/C23H24FN3O2S/c24-17-5-1-4-16(10-17)14-28-21-12-19(26-13-21)15-29-20-7-2-6-18(11-20)27-23(25)22-8-3-9-30-22/h1-11,19,21,26H,12-15H2,(H2,25,27)/t19-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.86E+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 bovine eNOS using L-arginine substrate				Bioorg Med Chem Lett 24: 4504-10 (2014) Article DOI: 10.1016/j.bmcl.2014.07.079 BindingDB Entry DOI: 10.7270/Q2542Q57
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50023385 (CHEMBL3327300) Show SMILES Fc1cccc(CO[C@H]2CN[C@H](COc3cccc(NC(=N)c4cccs4)c3)C2)c1 |r| Show InChI InChI=1S/C23H24FN3O2S/c24-17-5-1-4-16(10-17)14-28-21-12-19(26-13-21)15-29-20-7-2-6-18(11-20)27-23(25)22-8-3-9-30-22/h1-11,19,21,26H,12-15H2,(H2,25,27)/t19-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.28E+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 mouse macrophage iNOS using L-arginine substrate				Bioorg Med Chem Lett 24: 4504-10 (2014) Article DOI: 10.1016/j.bmcl.2014.07.079 BindingDB Entry DOI: 10.7270/Q2542Q57
					More data for this Ligand-Target Pair