BDBM50352891 CHEMBL1824645

SMILES: COc1cc2n(c(Cc3cccc(F)c3C)c(C(=O)N3CCNCC3)c2cn1)-c1ccccc1

InChI Key: InChIKey=CWPRVVDOSCKMSI-UHFFFAOYSA-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 = 50352891   

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))	BDBM50352891 (CHEMBL1824645) Show SMILES COc1cc2n(c(Cc3cccc(F)c3C)c(C(=O)N3CCNCC3)c2cn1)-c1ccccc1 Show InChI InChI=1S/C27H27FN4O2/c1-18-19(7-6-10-22(18)28)15-24-26(27(33)31-13-11-29-12-14-31)21-17-30-25(34-2)16-23(21)32(24)20-8-4-3-5-9-20/h3-10,16-17,29H,11-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	364	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 preincubated for 30 mins foll...				Bioorg Med Chem Lett 21: 5487-92 (2011) Article DOI: 10.1016/j.bmcl.2011.06.112 BindingDB Entry DOI: 10.7270/Q2RX9CFJ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50352891 (CHEMBL1824645) Show SMILES COc1cc2n(c(Cc3cccc(F)c3C)c(C(=O)N3CCNCC3)c2cn1)-c1ccccc1 Show InChI InChI=1S/C27H27FN4O2/c1-18-19(7-6-10-22(18)28)15-24-26(27(33)31-13-11-29-12-14-31)21-17-30-25(34-2)16-23(21)32(24)20-8-4-3-5-9-20/h3-10,16-17,29H,11-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	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
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50352891 (CHEMBL1824645) Show SMILES COc1cc2n(c(Cc3cccc(F)c3C)c(C(=O)N3CCNCC3)c2cn1)-c1ccccc1 Show InChI InChI=1S/C27H27FN4O2/c1-18-19(7-6-10-22(18)28)15-24-26(27(33)31-13-11-29-12-14-31)21-17-30-25(34-2)16-23(21)32(24)20-8-4-3-5-9-20/h3-10,16-17,29H,11-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	328	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 preincubated for 30 mins foll...				Bioorg Med Chem Lett 21: 5487-92 (2011) Article DOI: 10.1016/j.bmcl.2011.06.112 BindingDB Entry DOI: 10.7270/Q2RX9CFJ
					More data for this Ligand-Target Pair