BDBM50347015 CHEMBL1796068

SMILES: COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c2ccccc12

InChI Key: InChIKey=JZXHVNKYCRZJGN-NOZRDPDXSA-N

Data: 1 KI  4 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 5 hits for monomerid = 50347015   

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))	BDBM50347015 (CHEMBL1796068) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c2ccccc12 |r| Show InChI InChI=1S/C28H36N4O3/c1-30-14-11-20(16-27(30)33)23-10-12-29-17-25(23)28(34)32(22-8-9-22)19-21-18-31(13-5-15-35-2)26-7-4-3-6-24(21)26/h3-4,6-7,11,14,16,18,22-23,25,29H,5,8-10,12-13,15,17,19H2,1-2H3/t23-,25+/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	>2.90E+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))	BDBM50347015 (CHEMBL1796068) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c2ccccc12 |r| Show InChI InChI=1S/C28H36N4O3/c1-30-14-11-20(16-27(30)33)23-10-12-29-17-25(23)28(34)32(22-8-9-22)19-21-18-31(13-5-15-35-2)26-7-4-3-6-24(21)26/h3-4,6-7,11,14,16,18,22-23,25,29H,5,8-10,12-13,15,17,19H2,1-2H3/t23-,25+/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	5.20	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
Sodium channel protein type 5 subunit alpha (Homo sapiens (Human))	BDBM50347015 (CHEMBL1796068) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c2ccccc12 |r| Show InChI InChI=1S/C28H36N4O3/c1-30-14-11-20(16-27(30)33)23-10-12-29-17-25(23)28(34)32(22-8-9-22)19-21-18-31(13-5-15-35-2)26-7-4-3-6-24(21)26/h3-4,6-7,11,14,16,18,22-23,25,29H,5,8-10,12-13,15,17,19H2,1-2H3/t23-,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	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 Nav1.5				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
Calcium channel (Type L) (Homo sapiens (Human))	BDBM50347015 (CHEMBL1796068) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c2ccccc12 |r| Show InChI InChI=1S/C28H36N4O3/c1-30-14-11-20(16-27(30)33)23-10-12-29-17-25(23)28(34)32(22-8-9-22)19-21-18-31(13-5-15-35-2)26-7-4-3-6-24(21)26/h3-4,6-7,11,14,16,18,22-23,25,29H,5,8-10,12-13,15,17,19H2,1-2H3/t23-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	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 Cav1.2				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))	BDBM50347015 (CHEMBL1796068) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c2ccccc12 |r| Show InChI InChI=1S/C28H36N4O3/c1-30-14-11-20(16-27(30)33)23-10-12-29-17-25(23)28(34)32(22-8-9-22)19-21-18-31(13-5-15-35-2)26-7-4-3-6-24(21)26/h3-4,6-7,11,14,16,18,22-23,25,29H,5,8-10,12-13,15,17,19H2,1-2H3/t23-,25+/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	2.30	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