BDBM50232162 CHEMBL4082298

SMILES: COc1c(Cl)cc(cc1Cn1ccnn1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F

InChI Key: InChIKey=WBXCKJYYTCGGBT-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 = 50232162   

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
17-beta-hydroxysteroid dehydrogenase type 1 (Homo sapiens (Human))	BDBM50232162 (CHEMBL4082298) Show SMILES COc1c(Cl)cc(cc1Cn1ccnn1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F Show InChI InChI=1S/C21H14ClF2N3O3S/c1-30-21-12(10-27-7-6-25-26-27)8-11(9-13(21)22)16-4-5-17(31-16)20(29)18-14(23)2-3-15(28)19(18)24/h2-9,28H,10H2,1H3	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
17-beta-hydroxysteroid dehydrogenase type 2 (Homo sapiens (Human))	BDBM50232162 (CHEMBL4082298) Show SMILES COc1c(Cl)cc(cc1Cn1ccnn1)-c1ccc(s1)C(=O)c1c(F)ccc(O)c1F Show InChI InChI=1S/C21H14ClF2N3O3S/c1-30-21-12(10-27-7-6-25-26-27)8-11(9-13(21)22)16-4-5-17(31-16)20(29)18-14(23)2-3-15(28)19(18)24/h2-9,28H,10H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	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