BDBM50232175 CHEMBL4060257

SMILES: CC(=O)N1CCN(Cc2cc(cc(Cl)c2O)-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)CC1

InChI Key: InChIKey=JLOPPFLHAQHJCL-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50232175   

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
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human))	BDBM50232175 (CHEMBL4060257) Show SMILES CC(=O)N1CCN(Cc2cc(cc(Cl)c2O)-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)CC1 Show InChI InChI=1S/C24H21ClF2N2O4S/c1-13(30)29-8-6-28(7-9-29)12-15-10-14(11-16(25)23(15)32)19-4-5-20(34-19)24(33)21-17(26)2-3-18(31)22(21)27/h2-5,10-11,31-32H,6-9,12H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placental microsomal 17beta-HSD2 using [2,4,6,7-3H]-E2 as substrate after 20 mins in presence of NAD+ by RP-HPLC method				Eur J Med Chem 127: 944-957 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WH4
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (Homo sapiens (Human))	BDBM50232175 (CHEMBL4060257) Show SMILES CC(=O)N1CCN(Cc2cc(cc(Cl)c2O)-c2ccc(s2)C(=O)c2c(F)ccc(O)c2F)CC1 Show InChI InChI=1S/C24H21ClF2N2O4S/c1-13(30)29-8-6-28(7-9-29)12-15-10-14(11-16(25)23(15)32)19-4-5-20(34-19)24(33)21-17(26)2-3-18(31)22(21)27/h2-5,10-11,31-32H,6-9,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human placental cytosolic 17beta-HSD1 assessed as reduction in activation of [2,4,6,7-3H]-E1 substrate to E2 after 10 mins in presence ...				Eur J Med Chem 127: 944-957 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WH4
					More data for this Ligand-Target Pair