BDBM50238103 CHEMBL4070323

SMILES: CC(O)(C1CCN(CC1)S(C)(=O)=O)c1cncnc1Nc1ccc(F)cc1

InChI Key: InChIKey=QYPYIXDNCYSWRV-UHFFFAOYSA-N

Data: 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 3 hits for monomerid = 50238103   

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
Cytochrome P450 11B2 (CYP11B2) (Homo sapiens (Human))	BDBM50238103 (CHEMBL4070323) Show SMILES CC(O)(C1CCN(CC1)S(C)(=O)=O)c1cncnc1Nc1ccc(F)cc1 Show InChI InChI=1S/C18H23FN4O3S/c1-18(24,13-7-9-23(10-8-13)27(2,25)26)16-11-20-12-21-17(16)22-15-5-3-14(19)4-6-15/h3-6,11-13,24H,7-10H2,1-2H3,(H,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi-Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%				Bioorg Med Chem Lett 27: 1902-1906 (2017) Article DOI: 10.1016/j.bmcl.2017.03.034 BindingDB Entry DOI: 10.7270/Q2KS6TTS
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Mus musculus)	BDBM50238103 (CHEMBL4070323) Show SMILES CC(O)(C1CCN(CC1)S(C)(=O)=O)c1cncnc1Nc1ccc(F)cc1 Show InChI InChI=1S/C18H23FN4O3S/c1-18(24,13-7-9-23(10-8-13)27(2,25)26)16-11-20-12-21-17(16)22-15-5-3-14(19)4-6-15/h3-6,11-13,24H,7-10H2,1-2H3,(H,20,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi-Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%				Bioorg Med Chem Lett 27: 1902-1906 (2017) Article DOI: 10.1016/j.bmcl.2017.03.034 BindingDB Entry DOI: 10.7270/Q2KS6TTS
					More data for this Ligand-Target Pair
Cytochrome P450 11B1 (Homo sapiens (Human))	BDBM50238103 (CHEMBL4070323) Show SMILES CC(O)(C1CCN(CC1)S(C)(=O)=O)c1cncnc1Nc1ccc(F)cc1 Show InChI InChI=1S/C18H23FN4O3S/c1-18(24,13-7-9-23(10-8-13)27(2,25)26)16-11-20-12-21-17(16)22-15-5-3-14(19)4-6-15/h3-6,11-13,24H,7-10H2,1-2H3,(H,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi-Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in HEK293A cells				Bioorg Med Chem Lett 27: 1902-1906 (2017) Article DOI: 10.1016/j.bmcl.2017.03.034 BindingDB Entry DOI: 10.7270/Q2KS6TTS
					More data for this Ligand-Target Pair