BDBM50347004 CHEMBL1795906

SMILES: COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2cc(=O)n(C)c3ccccc23)cc(OCCOC)c1

InChI Key: InChIKey=GQLRKTKPJZISGL-OFSOJUDTSA-N

Data: 1 KI  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 3 hits for monomerid = 50347004   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50347004 (CHEMBL1795906) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2cc(=O)n(C)c3ccccc23)cc(OCCOC)c1 |r| Show InChI InChI=1S/C33H43N3O5/c1-35-31-9-5-4-8-28(31)29(20-32(35)37)27-12-13-34-21-30(27)33(38)36(25-10-11-25)22-24-17-23(7-6-14-39-2)18-26(19-24)41-16-15-40-3/h4-5,8-9,17-20,25,27,30,34H,6-7,10-16,21-22H2,1-3H3/t27-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 21: 3970-5 (2011) Article DOI: 10.1016/j.bmcl.2011.05.013 BindingDB Entry DOI: 10.7270/Q2PN9608
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50347004 (CHEMBL1795906) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2cc(=O)n(C)c3ccccc23)cc(OCCOC)c1 |r| Show InChI InChI=1S/C33H43N3O5/c1-35-31-9-5-4-8-28(31)29(20-32(35)37)27-12-13-34-21-30(27)33(38)36(25-10-11-25)22-24-17-23(7-6-14-39-2)18-26(19-24)41-16-15-40-3/h4-5,8-9,17-20,25,27,30,34H,6-7,10-16,21-22H2,1-3H3/t27-,30+/m1/s1	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using Q-FRET substrate after 3 hrs by fluorescence assay				Bioorg Med Chem Lett 21: 3970-5 (2011) Article DOI: 10.1016/j.bmcl.2011.05.013 BindingDB Entry DOI: 10.7270/Q2PN9608
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50347004 (CHEMBL1795906) Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2cc(=O)n(C)c3ccccc23)cc(OCCOC)c1 |r| Show InChI InChI=1S/C33H43N3O5/c1-35-31-9-5-4-8-28(31)29(20-32(35)37)27-12-13-34-21-30(27)33(38)36(25-10-11-25)22-24-17-23(7-6-14-39-2)18-26(19-24)41-16-15-40-3/h4-5,8-9,17-20,25,27,30,34H,6-7,10-16,21-22H2,1-3H3/t27-,30+/m1/s1	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	39	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of renin in human plasma using Q-FRET substrate pretreated for 10 mins before substrate addition measured after 1 hr				Bioorg Med Chem Lett 21: 3970-5 (2011) Article DOI: 10.1016/j.bmcl.2011.05.013 BindingDB Entry DOI: 10.7270/Q2PN9608
					More data for this Ligand-Target Pair