BDBM50380980 CHEMBL2017108

SMILES: CC(O)c1c(noc1-c1ccccc1CCNC(C)=O)[C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1

InChI Key: InChIKey=QUOFNJSDYRDJLR-WSXYJJAVSA-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 = 50380980   

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))	BDBM50380980 (CHEMBL2017108) Show SMILES CC(O)c1c(noc1-c1ccccc1CCNC(C)=O)[C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C26H29F2N3O4/c1-15(32)23-24(20-14-29-12-10-26(20,34)18-7-8-21(27)22(28)13-18)31-35-25(23)19-6-4-3-5-17(19)9-11-30-16(2)33/h3-8,13,15,20,29,32,34H,9-12,14H2,1-2H3,(H,30,33)/t15?,20-,26+/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	3.36E+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))	BDBM50380980 (CHEMBL2017108) Show SMILES CC(O)c1c(noc1-c1ccccc1CCNC(C)=O)[C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C26H29F2N3O4/c1-15(32)23-24(20-14-29-12-10-26(20,34)18-7-8-21(27)22(28)13-18)31-35-25(23)19-6-4-3-5-17(19)9-11-30-16(2)33/h3-8,13,15,20,29,32,34H,9-12,14H2,1-2H3,(H,30,33)/t15?,20-,26+/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))	BDBM50380980 (CHEMBL2017108) Show SMILES CC(O)c1c(noc1-c1ccccc1CCNC(C)=O)[C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C26H29F2N3O4/c1-15(32)23-24(20-14-29-12-10-26(20,34)18-7-8-21(27)22(28)13-18)31-35-25(23)19-6-4-3-5-17(19)9-11-30-16(2)33/h3-8,13,15,20,29,32,34H,9-12,14H2,1-2H3,(H,30,33)/t15?,20-,26+/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	4.30	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
Renin (Homo sapiens (Human))	BDBM50380980 (CHEMBL2017108) Show SMILES CC(O)c1c(noc1-c1ccccc1CCNC(C)=O)[C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C26H29F2N3O4/c1-15(32)23-24(20-14-29-12-10-26(20,34)18-7-8-21(27)22(28)13-18)31-35-25(23)19-6-4-3-5-17(19)9-11-30-16(2)33/h3-8,13,15,20,29,32,34H,9-12,14H2,1-2H3,(H,30,33)/t15?,20-,26+/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	4.5	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 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