BDBM50380977 CHEMBL2017104

SMILES: CC(=O)NCCc1cc(F)ccc1-c1onc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1Br

InChI Key: InChIKey=WPTSXGNZZOZOLL-KOSHJBKYSA-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 = 50380977   

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))	BDBM50380977 (CHEMBL2017104) Show SMILES CC(=O)NCCc1cc(F)ccc1-c1onc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1Br |r| Show InChI InChI=1S/C24H23BrF3N3O3/c1-13(32)30-8-6-14-10-16(26)3-4-17(14)23-21(25)22(31-34-23)18-12-29-9-7-24(18,33)15-2-5-19(27)20(28)11-15/h2-5,10-11,18,29,33H,6-9,12H2,1H3,(H,30,32)/t18-,24+/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	2.30E+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 Binding affinity to human Erg				Bioorg Med Chem Lett 22: 2670-4 (2012) Article DOI: 10.1016/j.bmcl.2012.03.014 BindingDB Entry DOI: 10.7270/Q2MW2J5S
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50380977 (CHEMBL2017104) Show SMILES CC(=O)NCCc1cc(F)ccc1-c1onc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1Br |r| Show InChI InChI=1S/C24H23BrF3N3O3/c1-13(32)30-8-6-14-10-16(26)3-4-17(14)23-21(25)22(31-34-23)18-12-29-9-7-24(18,33)15-2-5-19(27)20(28)11-15/h2-5,10-11,18,29,33H,6-9,12H2,1H3,(H,30,32)/t18-,24+/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	4.50E+4	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-mediated conversion of testosterone to 6-beta-hydroxy-testosterone after 30 mins				Bioorg Med Chem Lett 22: 2670-4 (2012) Article DOI: 10.1016/j.bmcl.2012.03.014 BindingDB Entry DOI: 10.7270/Q2MW2J5S
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50380977 (CHEMBL2017104) Show SMILES CC(=O)NCCc1cc(F)ccc1-c1onc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1Br |r| Show InChI InChI=1S/C24H23BrF3N3O3/c1-13(32)30-8-6-14-10-16(26)3-4-17(14)23-21(25)22(31-34-23)18-12-29-9-7-24(18,33)15-2-5-19(27)20(28)11-15/h2-5,10-11,18,29,33H,6-9,12H2,1H3,(H,30,32)/t18-,24+/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	0.700	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 substrate pretreated for 10 mins measured after 3 hrs ...				Bioorg Med Chem Lett 22: 2670-4 (2012) Article DOI: 10.1016/j.bmcl.2012.03.014 BindingDB Entry DOI: 10.7270/Q2MW2J5S
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50380977 (CHEMBL2017104) Show SMILES CC(=O)NCCc1cc(F)ccc1-c1onc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1Br |r| Show InChI InChI=1S/C24H23BrF3N3O3/c1-13(32)30-8-6-14-10-16(26)3-4-17(14)23-21(25)22(31-34-23)18-12-29-9-7-24(18,33)15-2-5-19(27)20(28)11-15/h2-5,10-11,18,29,33H,6-9,12H2,1H3,(H,30,32)/t18-,24+/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	0.140	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 substrate after 3 hrs by fluorescence analysis				Bioorg Med Chem Lett 22: 2670-4 (2012) Article DOI: 10.1016/j.bmcl.2012.03.014 BindingDB Entry DOI: 10.7270/Q2MW2J5S
					More data for this Ligand-Target Pair