Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50027361'   

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))	BDBM50027361 (CHEMBL384760 | Pro-His-Pro-His-Phe-Phe-Val-Tyr) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C63H75N13O11/c1-38(2)54(61(84)74-52(63(86)87)31-42-22-24-45(77)25-23-42)75-59(82)49(30-41-18-10-5-11-19-41)70-56(79)47(28-39-14-6-3-7-15-39)69-58(81)50(32-43-34-64-36-67-43)71-57(80)48(29-40-16-8-4-9-17-40)72-60(83)53-21-13-27-76(53)62(85)51(33-44-35-65-37-68-44)73-55(78)46-20-12-26-66-46/h3-11,14-19,22-25,34-38,46-54,66,77H,12-13,20-21,26-33H2,1-2H3,(H,64,67)(H,65,68)(H,69,81)(H,70,79)(H,71,80)(H,72,83)(H,73,78)(H,74,84)(H,75,82)(H,86,87)/t46-,47+,48+,49+,50+,51+,52+,53-,54+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antihypertensive activity against human renin				J Med Chem 24: 355-61 (1981) BindingDB Entry DOI: 10.7270/Q2PC32XP
					More data for this Ligand-Target Pair