BDBM50355505 CHEMBL1909649

SMILES: CON(C)C(=O)Cn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)cccc12

InChI Key: InChIKey=XEOJLCSVRLTGNZ-NGOKVRLYSA-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 = 50355505   

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))	BDBM50355505 (CHEMBL1909649) Show SMILES CON(C)C(=O)Cn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)cccc12 |r| Show InChI InChI=1S/C28H31F3N4O4/c1-33(39-2)25(36)16-34-14-17(26-22(30)4-3-5-24(26)34)15-35(19-7-8-19)27(37)20-13-32-11-10-28(20,38)18-6-9-21(29)23(31)12-18/h3-6,9,12,14,19-20,32,38H,7-8,10-11,13,15-16H2,1-2H3/t20-,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	2.10E+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 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))	BDBM50355505 (CHEMBL1909649) Show SMILES CON(C)C(=O)Cn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)cccc12 |r| Show InChI InChI=1S/C28H31F3N4O4/c1-33(39-2)25(36)16-34-14-17(26-22(30)4-3-5-24(26)34)15-35(19-7-8-19)27(37)20-13-32-11-10-28(20,38)18-6-9-21(29)23(31)12-18/h3-6,9,12,14,19-20,32,38H,7-8,10-11,13,15-16H2,1-2H3/t20-,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	1	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))	BDBM50355505 (CHEMBL1909649) Show SMILES CON(C)C(=O)Cn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)cccc12 |r| Show InChI InChI=1S/C28H31F3N4O4/c1-33(39-2)25(36)16-34-14-17(26-22(30)4-3-5-24(26)34)15-35(19-7-8-19)27(37)20-13-32-11-10-28(20,38)18-6-9-21(29)23(31)12-18/h3-6,9,12,14,19-20,32,38H,7-8,10-11,13,15-16H2,1-2H3/t20-,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	7.40	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