BDBM50359195 CHEMBL1923132

SMILES: COCCCc1cc(CCC(=O)N2CCOCC2)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1

InChI Key: InChIKey=HVSAPLYLNVBLPG-MYVCOICNSA-N

Data: 1 KI  3 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 4 hits for monomerid = 50359195   

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))	BDBM50359195 (CHEMBL1923132) Show SMILES COCCCc1cc(CCC(=O)N2CCOCC2)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r| Show InChI InChI=1S/C34H42ClF2N3O5/c1-43-12-2-3-22-15-23(4-7-31(41)39-10-13-44-14-11-39)32(35)24(16-22)20-40(26-5-6-26)33(42)28-19-38-9-8-34(28)27-18-30(37)29(36)17-25(27)21-45-34/h15-18,26,28,38H,2-14,19-21H2,1H3/t28-,34+/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	4.70E+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: 7399-404 (2011) Article DOI: 10.1016/j.bmcl.2011.10.013 BindingDB Entry DOI: 10.7270/Q2PC32SW
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50359195 (CHEMBL1923132) Show SMILES COCCCc1cc(CCC(=O)N2CCOCC2)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r| Show InChI InChI=1S/C34H42ClF2N3O5/c1-43-12-2-3-22-15-23(4-7-31(41)39-10-13-44-14-11-39)32(35)24(16-22)20-40(26-5-6-26)33(42)28-19-38-9-8-34(28)27-18-30(37)29(36)17-25(27)21-45-34/h15-18,26,28,38H,2-14,19-21H2,1H3/t28-,34+/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	0.5	n/a	n/a	n/a	n/a	7.4	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 9 DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by Q-FRET assay in presence of...				Bioorg Med Chem Lett 21: 7399-404 (2011) Article DOI: 10.1016/j.bmcl.2011.10.013 BindingDB Entry DOI: 10.7270/Q2PC32SW
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50359195 (CHEMBL1923132) Show SMILES COCCCc1cc(CCC(=O)N2CCOCC2)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r| Show InChI InChI=1S/C34H42ClF2N3O5/c1-43-12-2-3-22-15-23(4-7-31(41)39-10-13-44-14-11-39)32(35)24(16-22)20-40(26-5-6-26)33(42)28-19-38-9-8-34(28)27-18-30(37)29(36)17-25(27)21-45-34/h15-18,26,28,38H,2-14,19-21H2,1H3/t28-,34+/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	0.900	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 recombinant human renin in human plasma using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 m...				Bioorg Med Chem Lett 21: 7399-404 (2011) Article DOI: 10.1016/j.bmcl.2011.10.013 BindingDB Entry DOI: 10.7270/Q2PC32SW
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50359195 (CHEMBL1923132) Show SMILES COCCCc1cc(CCC(=O)N2CCOCC2)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r| Show InChI InChI=1S/C34H42ClF2N3O5/c1-43-12-2-3-22-15-23(4-7-31(41)39-10-13-44-14-11-39)32(35)24(16-22)20-40(26-5-6-26)33(42)28-19-38-9-8-34(28)27-18-30(37)29(36)17-25(27)21-45-34/h15-18,26,28,38H,2-14,19-21H2,1H3/t28-,34+/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	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4				Bioorg Med Chem Lett 21: 7399-404 (2011) Article DOI: 10.1016/j.bmcl.2011.10.013 BindingDB Entry DOI: 10.7270/Q2PC32SW
					More data for this Ligand-Target Pair