Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM212577'   

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 (Homo sapiens (Human))	BDBM212577 (US10155731, Example 268 | US9278944, 268) Show SMILES COC(=O)NCCCn1nc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2cccnc12 |r| Show InChI InChI=1S/C21H30N6O4/c1-14(27(15-6-7-15)20(28)17-13-22-10-12-31-17)18-16-5-3-8-23-19(16)26(25-18)11-4-9-24-21(29)30-2/h3,5,8,14-15,17,22H,4,6-7,9-13H2,1-2H3,(H,24,29)/t14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00834 BindingDB Entry DOI: 10.7270/Q2JS9VH0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212577 (US10155731, Example 268 | US9278944, 268) Show SMILES COC(=O)NCCCn1nc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2cccnc12 |r| Show InChI InChI=1S/C21H30N6O4/c1-14(27(15-6-7-15)20(28)17-13-22-10-12-31-17)18-16-5-3-8-23-19(16)26(25-18)11-4-9-24-21(29)30-2/h3,5,8,14-15,17,22H,4,6-7,9-13H2,1-2H3,(H,24,29)/t14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00834 BindingDB Entry DOI: 10.7270/Q2JS9VH0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212577 (US10155731, Example 268 | US9278944, 268) Show SMILES COC(=O)NCCCn1nc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2cccnc12 |r| Show InChI InChI=1S/C21H30N6O4/c1-14(27(15-6-7-15)20(28)17-13-22-10-12-31-17)18-16-5-3-8-23-19(16)26(25-18)11-4-9-24-21(29)30-2/h3,5,8,14-15,17,22H,4,6-7,9-13H2,1-2H3,(H,24,29)/t14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFHLVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotome...				US Patent US9278944 (2016) BindingDB Entry DOI: 10.7270/Q20V8BMG
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM212577 (US10155731, Example 268 | US9278944, 268) Show SMILES COC(=O)NCCCn1nc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2cccnc12 |r| Show InChI InChI=1S/C21H30N6O4/c1-14(27(15-6-7-15)20(28)17-13-22-10-12-31-17)18-16-5-3-8-23-19(16)26(25-18)11-4-9-24-21(29)30-2/h3,5,8,14-15,17,22H,4,6-7,9-13H2,1-2H3,(H,24,29)/t14-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
MITSUBISHI TANABE PHARMA CORPORATION; SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description A substrate of synthetic peptide (Nma-KHPFH LVIHK(Dnp)-NH2) and test compound were mixed, and fluorescence intensity was assayed using a fluorophotom...				US Patent US10155731 (2018) BindingDB Entry DOI: 10.7270/Q26M38WS
					More data for this Ligand-Target Pair