BDBM50352892 CHEMBL1824642

SMILES: Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2cnccc2n1-c1ccccc1

InChI Key: InChIKey=CNDQNTONAJHECD-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 = 50352892   

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))	BDBM50352892 (CHEMBL1824642) Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2cnccc2n1-c1ccccc1 Show InChI InChI=1S/C26H25FN4O/c1-18-19(6-5-9-22(18)27)16-24-25(26(32)30-14-12-28-13-15-30)21-17-29-11-10-23(21)31(24)20-7-3-2-4-8-20/h2-11,17,28H,12-16H2,1H3	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	410	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				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50352892 (CHEMBL1824642) Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2cnccc2n1-c1ccccc1 Show InChI InChI=1S/C26H25FN4O/c1-18-19(6-5-9-22(18)27)16-24-25(26(32)30-14-12-28-13-15-30)21-17-29-11-10-23(21)31(24)20-7-3-2-4-8-20/h2-11,17,28H,12-16H2,1H3	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	8	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				3D Structure (docked)
Renin (Homo sapiens (Human))	BDBM50352892 (CHEMBL1824642) Show SMILES Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2cnccc2n1-c1ccccc1 Show InChI InChI=1S/C26H25FN4O/c1-18-19(6-5-9-22(18)27)16-24-25(26(32)30-14-12-28-13-15-30)21-17-29-11-10-23(21)31(24)20-7-3-2-4-8-20/h2-11,17,28H,12-16H2,1H3	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	200	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				3D Structure (docked)