BDBM50451326 CHEMBL4215948

SMILES: [H][C@]1(CCCN(C1)C(=O)CC[C@@H](N)CO)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1

InChI Key: InChIKey=JNWFRGOWDLWQQW-JGTWLXFQSA-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 = 50451326   

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))	BDBM50451326 (CHEMBL4215948) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC[C@@H](N)CO)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C30H42FN3O5/c1-3-21-8-4-9-22(18-21)28-25(11-5-12-26(28)31)30(38,15-7-16-33-29(37)39-2)23-10-6-17-34(19-23)27(36)14-13-24(32)20-35/h4-5,8-9,11-12,18,23-24,35,38H,3,6-7,10,13-17,19-20,32H2,1-2H3,(H,33,37)/t23-,24-,30?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using angiotensinogen as substrate measured for 90 mins by [125I]-angiotensin based radioimmunoassay				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50451326 (CHEMBL4215948) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC[C@@H](N)CO)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C30H42FN3O5/c1-3-21-8-4-9-22(18-21)28-25(11-5-12-26(28)31)30(38,15-7-16-33-29(37)39-2)23-10-6-17-34(19-23)27(36)14-13-24(32)20-35/h4-5,8-9,11-12,18,23-24,35,38H,3,6-7,10,13-17,19-20,32H2,1-2H3,(H,33,37)/t23-,24-,30?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of trypsin-activated recombinant human Fc-tagged renin expressed in BacMam virus infected HEK-F cells using Arg-Glu-Lys(5-Fam)-Ile-His-Pro...				Bioorg Med Chem Lett 27: 4838-4843 (2017) Article DOI: 10.1016/j.bmcl.2017.09.046 BindingDB Entry DOI: 10.7270/Q2Z60RN0
					More data for this Ligand-Target Pair