Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nitric oxide synthase, brain   (419/419 = 100%)† (Rattus norvegicus (rat))	BDBM196649 (US9212144, 4) Show SMILES Clc1cccc(CNCCc2ccc(NC(=N)c3cccs3)cc2)c1 Show InChI InChI=1S/C20H20ClN3S/c21-17-4-1-3-16(13-17)14-23-11-10-15-6-8-18(9-7-15)24-20(22)19-5-2-12-25-19/h1-9,12-13,23H,10-11,14H2,(H2,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MCE PC cid PC sid PDB UniChem	DrugBank PDB US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	7.4	n/a
Northwestern University US Patent					Assay Description To test for enzyme inhibition, the hemoglobin capture assay was used to measure nitric oxide production. The assay was performed at 37° C. in HEPES b...				US Patent US9212144 (2015) BindingDB Entry DOI: 10.7270/Q2K0732P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain   (419/419 = 100%)† (Rattus norvegicus (rat))	BDBM196649 (US9212144, 4) Show SMILES Clc1cccc(CNCCc2ccc(NC(=N)c3cccs3)cc2)c1 Show InChI InChI=1S/C20H20ClN3S/c21-17-4-1-3-16(13-17)14-23-11-10-15-6-8-18(9-7-15)24-20(22)19-5-2-12-25-19/h1-9,12-13,23H,10-11,14H2,(H2,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MCE PC cid PC sid PDB UniChem	DrugBank PDB PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Institut Henri Beaufour Curated by ChEMBL					Assay Description Inhibitory concentration tested against neuronal nitric oxide synthase (nNOS ) from rat cerebellum				Bioorg Med Chem Lett 13: 209-12 (2002) BindingDB Entry DOI: 10.7270/Q2K9382B
					More data for this Ligand-Target Pair				3D Structure (crystal)

• Reorder this table by ec50
• Reorder this table by ic50
• Reorder this table by Kd
• Reorder this table by pH
• Reorder this table by T
• Reorder this table by ΔH°
• Reorder this table by -TΔS°
• Change energy units to:  kcal/mole

Search BindingMOAD for More Affinity Data: