BDBM50439254 CHEMBL2419041

SMILES: CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1cncc(F)c1

InChI Key: InChIKey=HQBDJWJDMKKWJP-BGWNEDDSSA-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 = 50439254   

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))	BDBM50439254 (CHEMBL2419041) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1cncc(F)c1 |r| Show InChI InChI=1S/C28H37ClFN5O2/c1-18(2)9-24(19-10-21(30)14-31-12-19)33-27(37)20-11-22(15-32-13-20)35-16-26(36)34(17-28(35,3)4)25-8-6-5-7-23(25)29/h5-8,10,12,14,18,20,22,24,32H,9,11,13,15-17H2,1-4H3,(H,33,37)/t20-,22+,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	1.70	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
Renin (Macaca fascicularis)	BDBM50439254 (CHEMBL2419041) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1cncc(F)c1 |r| Show InChI InChI=1S/C28H37ClFN5O2/c1-18(2)9-24(19-10-21(30)14-31-12-19)33-27(37)20-11-22(15-32-13-20)35-16-26(36)34(17-28(35,3)4)25-8-6-5-7-23(25)29/h5-8,10,12,14,18,20,22,24,32H,9,11,13,15-17H2,1-4H3,(H,33,37)/t20-,22+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	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