BDBM50451320 CHEMBL4216413

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

InChI Key: InChIKey=BRNUKIDBYPCLGD-SILNSSARSA-N

Data: 3 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 3 hits for monomerid = 50451320   

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))	BDBM50451320 (CHEMBL4216413) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC(O)CN)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C18H17N3OS/c1-12-4-6-13(7-5-12)14-11-23-18-16(20-22-10-8-19)15-3-2-9-21(15)17(14)18/h2-7,9,11H,8,10,19H2,1H3/b20-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50451320 (CHEMBL4216413) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC(O)CN)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C18H17N3OS/c1-12-4-6-13(7-5-12)14-11-23-18-16(20-22-10-8-19)15-3-2-9-21(15)17(14)18/h2-7,9,11H,8,10,19H2,1H3/b20-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 expressed in Escherichia coli co-expressing CYP-reductase using diethoxyfluorescein as substrate measured after 10 mins by...				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))	BDBM50451320 (CHEMBL4216413) Show SMILES [H][C@]1(CCCN(C1)C(=O)CC(O)CN)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| Show InChI InChI=1S/C18H17N3OS/c1-12-4-6-13(7-5-12)14-11-23-18-16(20-22-10-8-19)15-3-2-9-21(15)17(14)18/h2-7,9,11H,8,10,19H2,1H3/b20-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	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