BDBM50439249 CHEMBL2419046

SMILES: CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccccn1

InChI Key: InChIKey=DOPWMPRIRWTOOD-YZUZCNPQSA-N

Data: 2 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 2 hits for monomerid = 50439249   

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 (Macaca fascicularis)	BDBM50439249 (CHEMBL2419046) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccccn1 |r| Show InChI InChI=1S/C28H38ClN5O2/c1-19(2)13-24(23-10-7-8-12-31-23)32-27(36)20-14-21(16-30-15-20)34-17-26(35)33(18-28(34,3)4)25-11-6-5-9-22(25)29/h5-12,19-21,24,30H,13-18H2,1-4H3,(H,32,36)/t20-,21+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of cynomolgus monkey plasma renin assessed as angiotensin 1 level after 60 mins by competitive radioimmunoassay				Bioorg Med Chem 21: 5907-22 (2013) Article DOI: 10.1016/j.bmc.2013.06.057 BindingDB Entry DOI: 10.7270/Q2TH8P4B
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50439249 (CHEMBL2419046) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccccn1 |r| Show InChI InChI=1S/C28H38ClN5O2/c1-19(2)13-24(23-10-7-8-12-31-23)32-27(36)20-14-21(16-30-15-20)34-17-26(35)33(18-28(34,3)4)25-11-6-5-9-22(25)29/h5-12,19-21,24,30H,13-18H2,1-4H3,(H,32,36)/t20-,21+,24+/m0/s1	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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of trypsin-activated human recombinant renin using (Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg) as substrate i...				Bioorg Med Chem 21: 5907-22 (2013) Article DOI: 10.1016/j.bmc.2013.06.057 BindingDB Entry DOI: 10.7270/Q2TH8P4B
					More data for this Ligand-Target Pair