BDBM50347019 CHEMBL1795909

SMILES: COCCCc1cc(Cl)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c1

InChI Key: InChIKey=AMGBGCLXZDYDOH-YADHBBJMSA-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 = 50347019   

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))	BDBM50347019 (CHEMBL1795909) Show SMILES COCCCc1cc(Cl)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c1 |r| Show InChI InChI=1S/C26H33Cl2N3O3/c1-30-10-8-18(14-24(30)32)21-7-9-29-15-22(21)26(33)31(20-5-6-20)16-19-12-17(4-3-11-34-2)13-23(27)25(19)28/h8,10,12-14,20-22,29H,3-7,9,11,15-16H2,1-2H3/t21-,22+/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	4.80E+3	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))	BDBM50347019 (CHEMBL1795909) Show SMILES COCCCc1cc(Cl)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c1 |r| Show InChI InChI=1S/C26H33Cl2N3O3/c1-30-10-8-18(14-24(30)32)21-7-9-29-15-22(21)26(33)31(20-5-6-20)16-19-12-17(4-3-11-34-2)13-23(27)25(19)28/h8,10,12-14,20-22,29H,3-7,9,11,15-16H2,1-2H3/t21-,22+/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	0.300	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))	BDBM50347019 (CHEMBL1795909) Show SMILES COCCCc1cc(Cl)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)c1 |r| Show InChI InChI=1S/C26H33Cl2N3O3/c1-30-10-8-18(14-24(30)32)21-7-9-29-15-22(21)26(33)31(20-5-6-20)16-19-12-17(4-3-11-34-2)13-23(27)25(19)28/h8,10,12-14,20-22,29H,3-7,9,11,15-16H2,1-2H3/t21-,22+/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	1.30	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 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