BDBM50352921 CHEMBL1824631

SMILES: CCc1ccnc2n(c(Oc3cc(F)ccc3C)c(C(=O)N3CCNCC3)c12)-c1ccccc1

InChI Key: InChIKey=PNQJBYVCKZISRC-UHFFFAOYSA-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 = 50352921   

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 (Homo sapiens (Human))	BDBM50352921 (CHEMBL1824631) Show SMILES CCc1ccnc2n(c(Oc3cc(F)ccc3C)c(C(=O)N3CCNCC3)c12)-c1ccccc1 Show InChI InChI=1S/C27H27FN4O2/c1-3-19-11-12-30-25-23(19)24(26(33)31-15-13-29-14-16-31)27(32(25)21-7-5-4-6-8-21)34-22-17-20(28)10-9-18(22)2/h4-12,17,29H,3,13-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using Dabcyl-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate after 2 hrs by spectrofluorom...				Bioorg Med Chem Lett 21: 5487-92 (2011) Article DOI: 10.1016/j.bmcl.2011.06.112 BindingDB Entry DOI: 10.7270/Q2RX9CFJ
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