Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50036981'   

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))	BDBM50036981 ((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...) Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)N1CCOCC1 Show InChI InChI=1S/C45H77N5O7/c1-7-8-19-38(47-40(29-35-17-13-10-14-18-35)44(54)49-22-20-36(21-23-49)57-32-55-6)43(53)48-39(28-34-15-11-9-12-16-34)41(51)30-37(33(2)3)42(52)46-31-45(4,5)50-24-26-56-27-25-50/h10,13-14,17-18,33-34,36-41,47,51H,7-9,11-12,15-16,19-32H2,1-6H3,(H,46,52)(H,48,53)/t37-,38-,39-,40-,41-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Tested in vitro for its ability to inhibit the human plasma renin				J Med Chem 37: 2991-3007 (1994) BindingDB Entry DOI: 10.7270/Q26H4GFS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50036981 ((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...) Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)N1CCOCC1 Show InChI InChI=1S/C45H77N5O7/c1-7-8-19-38(47-40(29-35-17-13-10-14-18-35)44(54)49-22-20-36(21-23-49)57-32-55-6)43(53)48-39(28-34-15-11-9-12-16-34)41(51)30-37(33(2)3)42(52)46-31-45(4,5)50-24-26-56-27-25-50/h10,13-14,17-18,33-34,36-41,47,51H,7-9,11-12,15-16,19-32H2,1-6H3,(H,46,52)(H,48,53)/t37-,38-,39-,40-,41-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Tested in vitro for its ability to inhibit the dog plasma renin				J Med Chem 37: 2991-3007 (1994) BindingDB Entry DOI: 10.7270/Q26H4GFS
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50036981 ((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...) Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)N1CCOCC1 Show InChI InChI=1S/C45H77N5O7/c1-7-8-19-38(47-40(29-35-17-13-10-14-18-35)44(54)49-22-20-36(21-23-49)57-32-55-6)43(53)48-39(28-34-15-11-9-12-16-34)41(51)30-37(33(2)3)42(52)46-31-45(4,5)50-24-26-56-27-25-50/h10,13-14,17-18,33-34,36-41,47,51H,7-9,11-12,15-16,19-32H2,1-6H3,(H,46,52)(H,48,53)/t37-,38-,39-,40-,41-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Tested in vitro for its ability to inhibit the ferret plasma renin				J Med Chem 37: 2991-3007 (1994) BindingDB Entry DOI: 10.7270/Q26H4GFS
					More data for this Ligand-Target Pair
Renin (Rattus norvegicus)	BDBM50036981 ((2S,4S,5S)-5-{(S)-2-[(S)-1-Benzyl-2-(4-methoxymeth...) Show SMILES CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCOC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)N1CCOCC1 Show InChI InChI=1S/C45H77N5O7/c1-7-8-19-38(47-40(29-35-17-13-10-14-18-35)44(54)49-22-20-36(21-23-49)57-32-55-6)43(53)48-39(28-34-15-11-9-12-16-34)41(51)30-37(33(2)3)42(52)46-31-45(4,5)50-24-26-56-27-25-50/h10,13-14,17-18,33-34,36-41,47,51H,7-9,11-12,15-16,19-32H2,1-6H3,(H,46,52)(H,48,53)/t37-,38-,39-,40-,41-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Tested in vitro for its ability to inhibit the rat plasma renin				J Med Chem 37: 2991-3007 (1994) BindingDB Entry DOI: 10.7270/Q26H4GFS
					More data for this Ligand-Target Pair