BDBM50352894 CHEMBL1824626

SMILES: Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2cc(O)cnc2n1-c1ccccc1

InChI Key: InChIKey=USWPHVRQAASSRK-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 = 50352894   

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))	BDBM50352894 (CHEMBL1824626) Show SMILES Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2cc(O)cnc2n1-c1ccccc1 Show InChI InChI=1S/C25H23FN4O3/c1-16-7-8-17(26)13-21(16)33-25-22(24(32)29-11-9-27-10-12-29)20-14-19(31)15-28-23(20)30(25)18-5-3-2-4-6-18/h2-8,13-15,27,31H,9-12H2,1H3	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	57	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))	BDBM50352894 (CHEMBL1824626) Show SMILES Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2cc(O)cnc2n1-c1ccccc1 Show InChI InChI=1S/C25H23FN4O3/c1-16-7-8-17(26)13-21(16)33-25-22(24(32)29-11-9-27-10-12-29)20-14-19(31)15-28-23(20)30(25)18-5-3-2-4-6-18/h2-8,13-15,27,31H,9-12H2,1H3	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))	BDBM50352894 (CHEMBL1824626) Show SMILES Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2cc(O)cnc2n1-c1ccccc1 Show InChI InChI=1S/C25H23FN4O3/c1-16-7-8-17(26)13-21(16)33-25-22(24(32)29-11-9-27-10-12-29)20-14-19(31)15-28-23(20)30(25)18-5-3-2-4-6-18/h2-8,13-15,27,31H,9-12H2,1H3	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	189	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