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
Renin   (340/340 = 100%)† (Homo sapiens (Human))	BDBM18038 (6-ethyl-5-[1-(3-methoxypropyl)-2-phenyl-1,2,3,4-te...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc2CCC(N(CCCOC)c2c1)c1ccccc1 Show InChI InChI=1S/C25H31N5O/c1-3-20-23(24(26)29-25(27)28-20)19-11-10-18-12-13-21(17-8-5-4-6-9-17)30(22(18)16-19)14-7-15-31-2/h4-6,8-11,16,21H,3,7,12-15H2,1-2H3,(H4,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of renin (unknown origin)				Bioorg Med Chem Lett 23: 5992-6000 (2013) Article DOI: 10.1016/j.bmcl.2013.08.030 BindingDB Entry DOI: 10.7270/Q21C1ZB5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin   (340/340 = 100%)† (Homo sapiens (Human))	BDBM18038 (6-ethyl-5-[1-(3-methoxypropyl)-2-phenyl-1,2,3,4-te...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc2CCC(N(CCCOC)c2c1)c1ccccc1 Show InChI InChI=1S/C25H31N5O/c1-3-20-23(24(26)29-25(27)28-20)19-11-10-18-12-13-21(17-8-5-4-6-9-17)30(22(18)16-19)14-7-15-31-2/h4-6,8-11,16,21H,3,7,12-15H2,1-2H3,(H4,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	7.4	22
Pfizer					Assay Description The renin assay utilized a tandem Green Flourescent Protein (tGFP) substrate that was hydrolyzed by human rennin. The tGFP substrate contained a nine...				Anal Biochem 360: 30-40 (2007) Article DOI: 10.1016/j.ab.2006.10.017 BindingDB Entry DOI: 10.7270/Q22N50HD
					More data for this Ligand-Target Pair				3D Structure (crystal)

Identical Ligands in BindingDB

Found 1 hit Isothermal Titration Calorimetry Data

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kJ/mole	-TΔS° kJ/mole	ΔH° kJ/mole	log K	pH	Temp °C
BDBM18038 (6-ethyl-5-[1-(3-methoxypropyl)-2-phenyl-1,2,3,4-te...)	Renin (Homo sapiens (Human))	PC cid PC sid PDB	DrugBank GoogleScholar KEGG PDB		-40.8	0.964	-41.8	7.10	7	28
	Pfizer				Anal Biochem 360: 30-40 (2007)

Similar Ligands in BindingDB^*

Found 1 hit Isothermal Titration Calorimetry Data

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kJ/mole	-TΔS° kJ/mole	ΔH° kJ/mole	log K	pH	Temp °C
BDBM18038 (6-ethyl-5-[1-(3-methoxypropyl)-2-phenyl-1,2,3,4-te...)	Renin (Homo sapiens (Human))	PC cid PC sid PDB	DrugBank GoogleScholar KEGG PDB		-40.8	0.964	-41.8	7.10	7	28
	Pfizer				Anal Biochem 360: 30-40 (2007)

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