BDBM50380982 CHEMBL2017110

SMILES: CO[C@@]1(CCNC[C@@H]1c1noc(c1Br)-c1ccccc1CCNC(C)=O)c1ccc(F)c(F)c1

InChI Key: InChIKey=CYMWJUNBUBLPTM-CLOONOSVSA-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 = 50380982   

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))	BDBM50380982 (CHEMBL2017110) Show SMILES CO[C@@]1(CCNC[C@@H]1c1noc(c1Br)-c1ccccc1CCNC(C)=O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C25H26BrF2N3O3/c1-15(32)30-11-9-16-5-3-4-6-18(16)24-22(26)23(31-34-24)19-14-29-12-10-25(19,33-2)17-7-8-20(27)21(28)13-17/h3-8,13,19,29H,9-12,14H2,1-2H3,(H,30,32)/t19-,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	2.12E+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))	BDBM50380982 (CHEMBL2017110) Show SMILES CO[C@@]1(CCNC[C@@H]1c1noc(c1Br)-c1ccccc1CCNC(C)=O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C25H26BrF2N3O3/c1-15(32)30-11-9-16-5-3-4-6-18(16)24-22(26)23(31-34-24)19-14-29-12-10-25(19,33-2)17-7-8-20(27)21(28)13-17/h3-8,13,19,29H,9-12,14H2,1-2H3,(H,30,32)/t19-,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	2.80E+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))	BDBM50380982 (CHEMBL2017110) Show SMILES CO[C@@]1(CCNC[C@@H]1c1noc(c1Br)-c1ccccc1CCNC(C)=O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C25H26BrF2N3O3/c1-15(32)30-11-9-16-5-3-4-6-18(16)24-22(26)23(31-34-24)19-14-29-12-10-25(19,33-2)17-7-8-20(27)21(28)13-17/h3-8,13,19,29H,9-12,14H2,1-2H3,(H,30,32)/t19-,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	0.170	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))	BDBM50380982 (CHEMBL2017110) Show SMILES CO[C@@]1(CCNC[C@@H]1c1noc(c1Br)-c1ccccc1CCNC(C)=O)c1ccc(F)c(F)c1 |r| Show InChI InChI=1S/C25H26BrF2N3O3/c1-15(32)30-11-9-16-5-3-4-6-18(16)24-22(26)23(31-34-24)19-14-29-12-10-25(19,33-2)17-7-8-20(27)21(28)13-17/h3-8,13,19,29H,9-12,14H2,1-2H3,(H,30,32)/t19-,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	1.20	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 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