BDBM50347002 CHEMBL1795904

SMILES: CCn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1cc(CCCOC)cc(OCCOC)c1)C1CC1

InChI Key: InChIKey=AXBFXWNMQYOMAF-IZLXSDGUSA-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 = 50347002   

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))	BDBM50347002 (CHEMBL1795904) Show SMILES CCn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1cc(CCCOC)cc(OCCOC)c1)C1CC1 |r| Show InChI InChI=1S/C30H43N3O5/c1-4-32-12-10-24(19-29(32)34)27-9-11-31-20-28(27)30(35)33(25-7-8-25)21-23-16-22(6-5-13-36-2)17-26(18-23)38-15-14-37-3/h10,12,16-19,25,27-28,31H,4-9,11,13-15,20-21H2,1-3H3/t27-,28+/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	>2.90E+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))	BDBM50347002 (CHEMBL1795904) Show SMILES CCn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1cc(CCCOC)cc(OCCOC)c1)C1CC1 |r| Show InChI InChI=1S/C30H43N3O5/c1-4-32-12-10-24(19-29(32)34)27-9-11-31-20-28(27)30(35)33(25-7-8-25)21-23-16-22(6-5-13-36-2)17-26(18-23)38-15-14-37-3/h10,12,16-19,25,27-28,31H,4-9,11,13-15,20-21H2,1-3H3/t27-,28+/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	200	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))	BDBM50347002 (CHEMBL1795904) Show SMILES CCn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1cc(CCCOC)cc(OCCOC)c1)C1CC1 |r| Show InChI InChI=1S/C30H43N3O5/c1-4-32-12-10-24(19-29(32)34)27-9-11-31-20-28(27)30(35)33(25-7-8-25)21-23-16-22(6-5-13-36-2)17-26(18-23)38-15-14-37-3/h10,12,16-19,25,27-28,31H,4-9,11,13-15,20-21H2,1-3H3/t27-,28+/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	460	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