BDBM50367762 CHEMBL1790272

SMILES: CC(C)C[C@H](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@@H](O)CC(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H]([C@H](C)O)C(N)=O

InChI Key: InChIKey=XPGCBPPRBWCDMH-XXWVDKRWSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50367762   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Renin (Rattus norvegicus)	BDBM50367762 (CHEMBL1790272) Show SMILES CC(C)C[C@H](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@@H](O)CC(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H]([C@H](C)O)C(N)=O Show InChI InChI=1S/C47H69N13O11/c1-25(2)16-32(37(63)20-38(64)58-40(27(4)62)46(70)59-39(26(3)61)41(48)65)54-44(68)34(18-29-21-49-23-52-29)55-43(67)33(17-28-10-6-5-7-11-28)56-45(69)36-13-9-15-60(36)47(71)35(19-30-22-50-24-53-30)57-42(66)31-12-8-14-51-31/h5-7,10-11,21-27,31-37,39-40,51,61-63H,8-9,12-20H2,1-4H3,(H2,48,65)(H,49,52)(H,50,53)(H,54,68)(H,55,67)(H,56,69)(H,57,66)(H,58,64)(H,59,70)/t26-,27-,31+,32-,33-,34-,35-,36+,37-,39-,40-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Inhibitory activity against rat plasma renin in vitro.				J Med Chem 31: 1679-86 (1988) BindingDB Entry DOI: 10.7270/Q2NC61TR
					More data for this Ligand-Target Pair