BDBM50359179 CHEMBL1923116

SMILES: Cc1cccc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1C

InChI Key: InChIKey=MHVYWHNMBRDTMC-BWKNWUBXSA-N

Data: 1 KI  3 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 4 hits for monomerid = 50359179   

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))	BDBM50359179 (CHEMBL1923116) Show SMILES Cc1cccc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1C |r| Show InChI InChI=1S/C25H28F2N2O2/c1-15-4-3-5-17(16(15)2)13-29(19-6-7-19)24(30)21-12-28-9-8-25(21)20-11-23(27)22(26)10-18(20)14-31-25/h3-5,10-11,19,21,28H,6-9,12-14H2,1-2H3/t21-,25+/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	2.70E+4	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 Inhibition of human ERG				Bioorg Med Chem Lett 21: 7399-404 (2011) Article DOI: 10.1016/j.bmcl.2011.10.013 BindingDB Entry DOI: 10.7270/Q2PC32SW
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50359179 (CHEMBL1923116) Show SMILES Cc1cccc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1C |r| Show InChI InChI=1S/C25H28F2N2O2/c1-15-4-3-5-17(16(15)2)13-29(19-6-7-19)24(30)21-12-28-9-8-25(21)20-11-23(27)22(26)10-18(20)14-31-25/h3-5,10-11,19,21,28H,6-9,12-14H2,1-2H3/t21-,25+/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	0.110	n/a	n/a	n/a	n/a	7.4	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 9 DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by Q-FRET assay in presence of...				Bioorg Med Chem Lett 21: 7399-404 (2011) Article DOI: 10.1016/j.bmcl.2011.10.013 BindingDB Entry DOI: 10.7270/Q2PC32SW
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50359179 (CHEMBL1923116) Show SMILES Cc1cccc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1C |r| Show InChI InChI=1S/C25H28F2N2O2/c1-15-4-3-5-17(16(15)2)13-29(19-6-7-19)24(30)21-12-28-9-8-25(21)20-11-23(27)22(26)10-18(20)14-31-25/h3-5,10-11,19,21,28H,6-9,12-14H2,1-2H3/t21-,25+/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	0.5	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 recombinant human renin in human plasma using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 m...				Bioorg Med Chem Lett 21: 7399-404 (2011) Article DOI: 10.1016/j.bmcl.2011.10.013 BindingDB Entry DOI: 10.7270/Q2PC32SW
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50359179 (CHEMBL1923116) Show SMILES Cc1cccc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1C |r| Show InChI InChI=1S/C25H28F2N2O2/c1-15-4-3-5-17(16(15)2)13-29(19-6-7-19)24(30)21-12-28-9-8-25(21)20-11-23(27)22(26)10-18(20)14-31-25/h3-5,10-11,19,21,28H,6-9,12-14H2,1-2H3/t21-,25+/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	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4				Bioorg Med Chem Lett 21: 7399-404 (2011) Article DOI: 10.1016/j.bmcl.2011.10.013 BindingDB Entry DOI: 10.7270/Q2PC32SW
					More data for this Ligand-Target Pair