BDBM50355536 CHEMBL1910302

SMILES: COCCCc1ccc(F)c2c(CN(C3CC3)C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)cn(CCCOC)c12

InChI Key: InChIKey=AKMRUTYKQUCDPI-GOXGLGGOSA-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 = 50355536   

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))	BDBM50355536 (CHEMBL1910302) Show SMILES COCCCc1ccc(F)c2c(CN(C3CC3)C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)cn(CCCOC)c12 |r| Show InChI InChI=1S/C32H40F3N3O4/c1-41-15-3-5-21-6-10-27(34)29-22(19-37(30(21)29)14-4-16-42-2)20-38(24-8-9-24)31(39)25-18-36-13-12-32(25,40)23-7-11-26(33)28(35)17-23/h6-7,10-11,17,19,24-25,36,40H,3-5,8-9,12-16,18,20H2,1-2H3/t25-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	850	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 Binding affinity to human ERG				Bioorg Med Chem Lett 21: 3976-81 (2011) Article DOI: 10.1016/j.bmcl.2011.05.014 BindingDB Entry DOI: 10.7270/Q21N81HN
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50355536 (CHEMBL1910302) Show SMILES COCCCc1ccc(F)c2c(CN(C3CC3)C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)cn(CCCOC)c12 |r| Show InChI InChI=1S/C32H40F3N3O4/c1-41-15-3-5-21-6-10-27(34)29-22(19-37(30(21)29)14-4-16-42-2)20-38(24-8-9-24)31(39)25-18-36-13-12-32(25,40)23-7-11-26(33)28(35)17-23/h6-7,10-11,17,19,24-25,36,40H,3-5,8-9,12-16,18,20H2,1-2H3/t25-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0400	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 DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as Q-FRET substrate after 3 hrs by fluorescence assay				Bioorg Med Chem Lett 21: 3976-81 (2011) Article DOI: 10.1016/j.bmcl.2011.05.014 BindingDB Entry DOI: 10.7270/Q21N81HN
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50355536 (CHEMBL1910302) Show SMILES COCCCc1ccc(F)c2c(CN(C3CC3)C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)cn(CCCOC)c12 |r| Show InChI InChI=1S/C32H40F3N3O4/c1-41-15-3-5-21-6-10-27(34)29-22(19-37(30(21)29)14-4-16-42-2)20-38(24-8-9-24)31(39)25-18-36-13-12-32(25,40)23-7-11-26(33)28(35)17-23/h6-7,10-11,17,19,24-25,36,40H,3-5,8-9,12-16,18,20H2,1-2H3/t25-,32+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	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 in human plasma using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as Q-FRET substrate after 1 hr by ...				Bioorg Med Chem Lett 21: 3976-81 (2011) Article DOI: 10.1016/j.bmcl.2011.05.014 BindingDB Entry DOI: 10.7270/Q21N81HN
					More data for this Ligand-Target Pair