BDBM50355541 CHEMBL1910307

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

InChI Key: InChIKey=SPERKZDVLBCHIJ-WINIVTDRSA-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 = 50355541   

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))	BDBM50355541 (CHEMBL1910307) Show SMILES CONC(=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/C27H29F3N4O4/c1-38-32-24(35)15-33-13-16(25-21(29)3-2-4-23(25)33)14-34(18-6-7-18)26(36)19-12-31-10-9-27(19,37)17-5-8-20(28)22(30)11-17/h2-5,8,11,13,18-19,31,37H,6-7,9-10,12,14-15H2,1H3,(H,32,35)/t19-,27+/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	8.40E+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))	BDBM50355541 (CHEMBL1910307) Show SMILES CONC(=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/C27H29F3N4O4/c1-38-32-24(35)15-33-13-16(25-21(29)3-2-4-23(25)33)14-34(18-6-7-18)26(36)19-12-31-10-9-27(19,37)17-5-8-20(28)22(30)11-17/h2-5,8,11,13,18-19,31,37H,6-7,9-10,12,14-15H2,1H3,(H,32,35)/t19-,27+/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	0.450	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))	BDBM50355541 (CHEMBL1910307) Show SMILES CONC(=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/C27H29F3N4O4/c1-38-32-24(35)15-33-13-16(25-21(29)3-2-4-23(25)33)14-34(18-6-7-18)26(36)19-12-31-10-9-27(19,37)17-5-8-20(28)22(30)11-17/h2-5,8,11,13,18-19,31,37H,6-7,9-10,12,14-15H2,1H3,(H,32,35)/t19-,27+/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