BDBM50359178 CHEMBL1923115

SMILES: Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cc(Cl)ccc3Cl)C3CC3)c2cc1F

InChI Key: InChIKey=IPEIMNMDXCTULH-JPYJTQIMSA-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 = 50359178   

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))	BDBM50359178 (CHEMBL1923115) Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cc(Cl)ccc3Cl)C3CC3)c2cc1F |r| Show InChI InChI=1S/C23H22Cl2F2N2O2/c24-15-1-4-19(25)13(7-15)11-29(16-2-3-16)22(30)18-10-28-6-5-23(18)17-9-21(27)20(26)8-14(17)12-31-23/h1,4,7-9,16,18,28H,2-3,5-6,10-12H2/t18-,23+/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	1.80E+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 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))	BDBM50359178 (CHEMBL1923115) Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cc(Cl)ccc3Cl)C3CC3)c2cc1F |r| Show InChI InChI=1S/C23H22Cl2F2N2O2/c24-15-1-4-19(25)13(7-15)11-29(16-2-3-16)22(30)18-10-28-6-5-23(18)17-9-21(27)20(26)8-14(17)12-31-23/h1,4,7-9,16,18,28H,2-3,5-6,10-12H2/t18-,23+/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	3.70	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))	BDBM50359178 (CHEMBL1923115) Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cc(Cl)ccc3Cl)C3CC3)c2cc1F |r| Show InChI InChI=1S/C23H22Cl2F2N2O2/c24-15-1-4-19(25)13(7-15)11-29(16-2-3-16)22(30)18-10-28-6-5-23(18)17-9-21(27)20(26)8-14(17)12-31-23/h1,4,7-9,16,18,28H,2-3,5-6,10-12H2/t18-,23+/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	175	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))	BDBM50359178 (CHEMBL1923115) Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cc(Cl)ccc3Cl)C3CC3)c2cc1F |r| Show InChI InChI=1S/C23H22Cl2F2N2O2/c24-15-1-4-19(25)13(7-15)11-29(16-2-3-16)22(30)18-10-28-6-5-23(18)17-9-21(27)20(26)8-14(17)12-31-23/h1,4,7-9,16,18,28H,2-3,5-6,10-12H2/t18-,23+/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	1.60E+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