Compounds in cluster

10 molecules are shown

Wt: 602.7 BDBM17965	Wt: 617.7 BDBM18025	Wt: 631.7 BDBM18026	Wt: 645.7 BDBM18027	Wt: 603.7 BDBM18030
Wt: 630.7 BDBM18022	Wt: 642.7 BDBM18023	Wt: 589.7 BDBM50165804	Wt: 531.6 BDBM50165799	Wt: 575.6 BDBM50165802

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 17965,18025,18026,18027,18030,18022,18023,50165804,50165799,50165802
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Renin (Homo sapiens (Human))	BDBM18022 (Ketopiperazine-based inhibitor, 2) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	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...				Bioorg Med Chem Lett 16: 2500-4 (2006) Article DOI: 10.1016/j.bmcl.2006.01.084 BindingDB Entry DOI: 10.7270/Q26D5R7R
Pfizer					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM18023 ((6R)-1-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}phe...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	606	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...				Bioorg Med Chem Lett 16: 2500-4 (2006) Article DOI: 10.1016/j.bmcl.2006.01.084 BindingDB Entry DOI: 10.7270/Q26D5R7R
Pfizer					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM18025 (2-(7-{[(2R)-1-(4-{3-[(2-methoxyphenyl)methoxy]prop...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.420	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...				Bioorg Med Chem Lett 16: 2500-4 (2006) Article DOI: 10.1016/j.bmcl.2006.01.084 BindingDB Entry DOI: 10.7270/Q26D5R7R
Pfizer					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM18026 (2-(7-{[(2R)-1-(4-{3-[(2-methoxyphenyl)methoxy]prop...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	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...				Bioorg Med Chem Lett 16: 2500-4 (2006) Article DOI: 10.1016/j.bmcl.2006.01.084 BindingDB Entry DOI: 10.7270/Q26D5R7R
Pfizer					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50165804 ((S)-6-[1-(3-Hydroxy-propyl)-1,2,3,4-tetrahydro-qui...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Concentration required to inhibit renin activity by 50%				Bioorg Med Chem Lett 15: 2371-4 (2005) Article DOI: 10.1016/j.bmcl.2005.02.085 BindingDB Entry DOI: 10.7270/Q2PV6JW0
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM18030 (3-(7-{[(2R)-1-(4-{3-[(2-methoxyphenyl)methoxy]prop...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	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...				Bioorg Med Chem Lett 16: 2500-4 (2006) Article DOI: 10.1016/j.bmcl.2006.01.084 BindingDB Entry DOI: 10.7270/Q26D5R7R
Pfizer					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM17965 (N-[2-(7-{[(2R)-1-(4-{3-[(2-methoxyphenyl)methoxy]p...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	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...				Bioorg Med Chem 13: 2657-64 (2005) Article DOI: 10.1016/j.bmc.2005.01.048 BindingDB Entry DOI: 10.7270/Q2KP80D6
Pfizer					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50165799 ((R)-1-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-phenyl}...) Show SMILES Show InChI	PDB MMDB 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	120	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Concentration required to inhibit renin activity by 50%				Bioorg Med Chem Lett 15: 2371-4 (2005) Article DOI: 10.1016/j.bmcl.2005.02.085 BindingDB Entry DOI: 10.7270/Q2PV6JW0
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50165802 ((S)-6-[1-(2-Hydroxy-ethyl)-1,2,3,4-tetrahydro-quin...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Concentration required to inhibit renin activity by 50%				Bioorg Med Chem Lett 15: 2371-4 (2005) Article DOI: 10.1016/j.bmcl.2005.02.085 BindingDB Entry DOI: 10.7270/Q2PV6JW0
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM18027 (2-(7-{[(2R)-1-(4-{3-[(2-methoxyphenyl)methoxy]prop...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	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...				Bioorg Med Chem Lett 16: 2500-4 (2006) Article DOI: 10.1016/j.bmcl.2006.01.084 BindingDB Entry DOI: 10.7270/Q26D5R7R
Pfizer					More data for this Ligand-Target Pair				3D Structure (docked)