BDBM50355540 CHEMBL1910306

SMILES: COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)ccc(Cn3ccnc3)c12

InChI Key: InChIKey=AJMOXIHRFKBMKQ-GOXGLGGOSA-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 = 50355540   

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))	BDBM50355540 (CHEMBL1910306) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)ccc(Cn3ccnc3)c12 |r| Show InChI InChI=1S/C32H36F3N5O3/c1-43-14-2-12-39-18-22(29-27(34)7-3-21(30(29)39)17-38-13-11-37-20-38)19-40(24-5-6-24)31(41)25-16-36-10-9-32(25,42)23-4-8-26(33)28(35)15-23/h3-4,7-8,11,13,15,18,20,24-25,36,42H,2,5-6,9-10,12,14,16-17,19H2,1H3/t25-,32+/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	1.40E+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))	BDBM50355540 (CHEMBL1910306) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)ccc(Cn3ccnc3)c12 |r| Show InChI InChI=1S/C32H36F3N5O3/c1-43-14-2-12-39-18-22(29-27(34)7-3-21(30(29)39)17-38-13-11-37-20-38)19-40(24-5-6-24)31(41)25-16-36-10-9-32(25,42)23-4-8-26(33)28(35)15-23/h3-4,7-8,11,13,15,18,20,24-25,36,42H,2,5-6,9-10,12,14,16-17,19H2,1H3/t25-,32+/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	0.300	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 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))	BDBM50355540 (CHEMBL1910306) Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)ccc(Cn3ccnc3)c12 |r| Show InChI InChI=1S/C32H36F3N5O3/c1-43-14-2-12-39-18-22(29-27(34)7-3-21(30(29)39)17-38-13-11-37-20-38)19-40(24-5-6-24)31(41)25-16-36-10-9-32(25,42)23-4-8-26(33)28(35)15-23/h3-4,7-8,11,13,15,18,20,24-25,36,42H,2,5-6,9-10,12,14,16-17,19H2,1H3/t25-,32+/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	2.20	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 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