BDBM50355522 CHEMBL1910546

SMILES: Cc1cc(Cn2cc(CN(C3CC3)C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)c3c(F)cccc23)ccn1

InChI Key: InChIKey=WUJLFXTVWGUSLT-XJFCNFDWSA-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 = 50355522   

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))	BDBM50355522 (CHEMBL1910546) Show SMILES Cc1cc(Cn2cc(CN(C3CC3)C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)c3c(F)cccc23)ccn1 |r| Show InChI InChI=1S/C31H31F3N4O2/c1-19-13-20(9-11-36-19)16-37-17-21(29-26(33)3-2-4-28(29)37)18-38(23-6-7-23)30(39)24-15-35-12-10-31(24,40)22-5-8-25(32)27(34)14-22/h2-5,8-9,11,13-14,17,23-24,35,40H,6-7,10,12,15-16,18H2,1H3/t24-,31+/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	970	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))	BDBM50355522 (CHEMBL1910546) Show SMILES Cc1cc(Cn2cc(CN(C3CC3)C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)c3c(F)cccc23)ccn1 |r| Show InChI InChI=1S/C31H31F3N4O2/c1-19-13-20(9-11-36-19)16-37-17-21(29-26(33)3-2-4-28(29)37)18-38(23-6-7-23)30(39)24-15-35-12-10-31(24,40)22-5-8-25(32)27(34)14-22/h2-5,8-9,11,13-14,17,23-24,35,40H,6-7,10,12,15-16,18H2,1H3/t24-,31+/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	0.0400	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))	BDBM50355522 (CHEMBL1910546) Show SMILES Cc1cc(Cn2cc(CN(C3CC3)C(=O)[C@H]3CNCC[C@]3(O)c3ccc(F)c(F)c3)c3c(F)cccc23)ccn1 |r| Show InChI InChI=1S/C31H31F3N4O2/c1-19-13-20(9-11-36-19)16-37-17-21(29-26(33)3-2-4-28(29)37)18-38(23-6-7-23)30(39)24-15-35-12-10-31(24,40)22-5-8-25(32)27(34)14-22/h2-5,8-9,11,13-14,17,23-24,35,40H,6-7,10,12,15-16,18H2,1H3/t24-,31+/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	0.360	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