Identical Ligands in BindingDB

Found 3 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))	BDBM50353000 (CHEMBL1825187) Show SMILES Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccnc(Cc3ccccc3)c2n1-c1ccccc1 Show InChI InChI=1S/C32H29FN4O2/c1-22-12-13-24(33)21-28(22)39-32-29(31(38)36-18-16-34-17-19-36)26-14-15-35-27(20-23-8-4-2-5-9-23)30(26)37(32)25-10-6-3-7-11-25/h2-15,21,34H,16-20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...				Bioorg Med Chem Lett 21: 5480-6 (2011) Article DOI: 10.1016/j.bmcl.2011.06.114 BindingDB Entry DOI: 10.7270/Q2HH6KFK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin   (340/340 = 100%)† (Homo sapiens (Human))	BDBM50353000 (CHEMBL1825187) Show SMILES Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccnc(Cc3ccccc3)c2n1-c1ccccc1 Show InChI InChI=1S/C32H29FN4O2/c1-22-12-13-24(33)21-28(22)39-32-29(31(38)36-18-16-34-17-19-36)26-14-15-35-27(20-23-8-4-2-5-9-23)30(26)37(32)25-10-6-3-7-11-25/h2-15,21,34H,16-20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	192	n/a	n/a	n/a	n/a	n/a	n/a
Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...				Bioorg Med Chem Lett 21: 5480-6 (2011) Article DOI: 10.1016/j.bmcl.2011.06.114 BindingDB Entry DOI: 10.7270/Q2HH6KFK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin   (340/340 = 100%)† (Homo sapiens (Human))	BDBM50353000 (CHEMBL1825187) Show SMILES Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccnc(Cc3ccccc3)c2n1-c1ccccc1 Show InChI InChI=1S/C32H29FN4O2/c1-22-12-13-24(33)21-28(22)39-32-29(31(38)36-18-16-34-17-19-36)26-14-15-35-27(20-23-8-4-2-5-9-23)30(26)37(32)25-10-6-3-7-11-25/h2-15,21,34H,16-20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	226	n/a	n/a	n/a	n/a	n/a	n/a
Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate preincubated for 30 mins afte...				Bioorg Med Chem Lett 21: 5480-6 (2011) Article DOI: 10.1016/j.bmcl.2011.06.114 BindingDB Entry DOI: 10.7270/Q2HH6KFK
					More data for this Ligand-Target Pair				3D Structure (crystal)

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