BDBM50380979 CHEMBL2017100

SMILES: O[C@@]1(CCNC[C@@H]1c1onc(c1Br)-c1cccc2ccccc12)c1ccc(F)c(F)c1

InChI Key: InChIKey=YRFOMLDHCYGMMU-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 = 50380979   

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))	BDBM50380979 (CHEMBL2017100) Show SMILES O[C@@]1(CCNC[C@@H]1c1onc(c1Br)-c1cccc2ccccc12)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C24H19BrF2N2O2/c25-21-22(17-7-3-5-14-4-1-2-6-16(14)17)29-31-23(21)18-13-28-11-10-24(18,30)15-8-9-19(26)20(27)12-15/h1-9,12,18,28,30H,10-11,13H2/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	4.20E+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 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))	BDBM50380979 (CHEMBL2017100) Show SMILES O[C@@]1(CCNC[C@@H]1c1onc(c1Br)-c1cccc2ccccc12)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C24H19BrF2N2O2/c25-21-22(17-7-3-5-14-4-1-2-6-16(14)17)29-31-23(21)18-13-28-11-10-24(18,30)15-8-9-19(26)20(27)12-15/h1-9,12,18,28,30H,10-11,13H2/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	4.70	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50380979 (CHEMBL2017100) Show SMILES O[C@@]1(CCNC[C@@H]1c1onc(c1Br)-c1cccc2ccccc12)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C24H19BrF2N2O2/c25-21-22(17-7-3-5-14-4-1-2-6-16(14)17)29-31-23(21)18-13-28-11-10-24(18,30)15-8-9-19(26)20(27)12-15/h1-9,12,18,28,30H,10-11,13H2/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	>5.00E+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))	BDBM50380979 (CHEMBL2017100) Show SMILES O[C@@]1(CCNC[C@@H]1c1onc(c1Br)-c1cccc2ccccc12)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C24H19BrF2N2O2/c25-21-22(17-7-3-5-14-4-1-2-6-16(14)17)29-31-23(21)18-13-28-11-10-24(18,30)15-8-9-19(26)20(27)12-15/h1-9,12,18,28,30H,10-11,13H2/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	0.0600	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