BDBM202654 US9242957, QJ-III-07

SMILES: Fc1cccc(COC[C@H]2NCC[C@@H]2COc2cccc(NC(=N)c3cccs3)c2)c1

InChI Key: InChIKey=HEEDPPMMSPLXOE-XMSQKQJNSA-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 = 202654   

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))	BDBM202654 (US9242957, QJ-III-07) Show SMILES Fc1cccc(COC[C@H]2NCC[C@@H]2COc2cccc(NC(=N)c3cccs3)c2)c1 |r| Show InChI InChI=1S/C24H26FN3O2S/c25-19-5-1-4-17(12-19)14-29-16-22-18(9-10-27-22)15-30-21-7-2-6-20(13-21)28-24(26)23-8-3-11-31-23/h1-8,11-13,18,22,27H,9-10,14-16H2,(H2,26,28)/t18-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	68.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description The compounds were evaluated for in vitro inhibition against three NOS isozymes: rat nNOS, bovine eNOS and marine iNOS using known literature methods...				US Patent US9242957 (2016) BindingDB Entry DOI: 10.7270/Q24B3047
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM202654 (US9242957, QJ-III-07) Show SMILES Fc1cccc(COC[C@H]2NCC[C@@H]2COc2cccc(NC(=N)c3cccs3)c2)c1 |r| Show InChI InChI=1S/C24H26FN3O2S/c25-19-5-1-4-17(12-19)14-29-16-22-18(9-10-27-22)15-30-21-7-2-6-20(13-21)28-24(26)23-8-3-11-31-23/h1-8,11-13,18,22,27H,9-10,14-16H2,(H2,26,28)/t18-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description The compounds were evaluated for in vitro inhibition against three NOS isozymes: rat nNOS, bovine eNOS and marine iNOS using known literature methods...				US Patent US9242957 (2016) BindingDB Entry DOI: 10.7270/Q24B3047
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM202654 (US9242957, QJ-III-07) Show SMILES Fc1cccc(COC[C@H]2NCC[C@@H]2COc2cccc(NC(=N)c3cccs3)c2)c1 |r| Show InChI InChI=1S/C24H26FN3O2S/c25-19-5-1-4-17(12-19)14-29-16-22-18(9-10-27-22)15-30-21-7-2-6-20(13-21)28-24(26)23-8-3-11-31-23/h1-8,11-13,18,22,27H,9-10,14-16H2,(H2,26,28)/t18-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description The compounds were evaluated for in vitro inhibition against three NOS isozymes: rat nNOS, bovine eNOS and marine iNOS using known literature methods...				US Patent US9242957 (2016) BindingDB Entry DOI: 10.7270/Q24B3047
					More data for this Ligand-Target Pair