BDBM50355507 CHEMBL1910309

SMILES: O[C@@]1(CCNC[C@@H]1C(=O)N(Cc1cn(Cc2ccon2)c2cccc(F)c12)C1CC1)c1ccc(F)c(F)c1

InChI Key: InChIKey=IYTSDTLEKPMRCI-PIKZIKFNSA-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 = 50355507   

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))	BDBM50355507 (CHEMBL1910309) Show SMILES O[C@@]1(CCNC[C@@H]1C(=O)N(Cc1cn(Cc2ccon2)c2cccc(F)c12)C1CC1)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C28H27F3N4O3/c29-22-7-4-18(12-24(22)31)28(37)9-10-32-13-21(28)27(36)35(20-5-6-20)15-17-14-34(16-19-8-11-38-33-19)25-3-1-2-23(30)26(17)25/h1-4,7-8,11-12,14,20-21,32,37H,5-6,9-10,13,15-16H2/t21-,28+/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	900	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))	BDBM50355507 (CHEMBL1910309) Show SMILES O[C@@]1(CCNC[C@@H]1C(=O)N(Cc1cn(Cc2ccon2)c2cccc(F)c12)C1CC1)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C28H27F3N4O3/c29-22-7-4-18(12-24(22)31)28(37)9-10-32-13-21(28)27(36)35(20-5-6-20)15-17-14-34(16-19-8-11-38-33-19)25-3-1-2-23(30)26(17)25/h1-4,7-8,11-12,14,20-21,32,37H,5-6,9-10,13,15-16H2/t21-,28+/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.150	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))	BDBM50355507 (CHEMBL1910309) Show SMILES O[C@@]1(CCNC[C@@H]1C(=O)N(Cc1cn(Cc2ccon2)c2cccc(F)c12)C1CC1)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C28H27F3N4O3/c29-22-7-4-18(12-24(22)31)28(37)9-10-32-13-21(28)27(36)35(20-5-6-20)15-17-14-34(16-19-8-11-38-33-19)25-3-1-2-23(30)26(17)25/h1-4,7-8,11-12,14,20-21,32,37H,5-6,9-10,13,15-16H2/t21-,28+/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	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