BDBM103338 US8546392, 59

SMILES: OC(=O)CCC(=O)Nc1ccc(cc1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1

InChI Key: InChIKey=ZTMKPXUZAMIYCW-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 103338   

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 1 (17beta-HSD1) (Homo sapiens (Human))	BDBM103338 (US8546392, 59) Show SMILES OC(=O)CCC(=O)Nc1ccc(cc1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C26H21NO5/c28-21-3-1-2-17(15-21)18-6-10-22-19(14-18)7-11-23(29)26(22)16-4-8-20(9-5-16)27-24(30)12-13-25(31)32/h1-11,14-15,28-29H,12-13H2,(H,27,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universitaet des Saarlandes US Patent					Assay Description The determination of IC50 values was performed with enzyme isolated from human placenta (Luu-The, V. et al., J. Steroid Biochem. Mol. Biol., 55:581-5...				US Patent US8546392 (2013) BindingDB Entry DOI: 10.7270/Q2WW7G8P
					More data for this Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2 (Homo sapiens (Human))	BDBM103338 (US8546392, 59) Show SMILES OC(=O)CCC(=O)Nc1ccc(cc1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C26H21NO5/c28-21-3-1-2-17(15-21)18-6-10-22-19(14-18)7-11-23(29)26(22)16-4-8-20(9-5-16)27-24(30)12-13-25(31)32/h1-11,14-15,28-29H,12-13H2,(H,27,30)(H,31,32)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitaet des Saarlandes US Patent					Assay Description The determination of IC50 values was performed with enzyme isolated from human placenta (Luu-The, V. et al., J. Steroid Biochem. Mol. Biol., 55:581-5...				US Patent US8546392 (2013) BindingDB Entry DOI: 10.7270/Q2WW7G8P
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM103338 (US8546392, 59) Show SMILES OC(=O)CCC(=O)Nc1ccc(cc1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C26H21NO5/c28-21-3-1-2-17(15-21)18-6-10-22-19(14-18)7-11-23(29)26(22)16-4-8-20(9-5-16)27-24(30)12-13-25(31)32/h1-11,14-15,28-29H,12-13H2,(H,27,30)(H,31,32)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universitaet des Saarlandes US Patent					Assay Description Inhibition assay using P450 CYP enzymes.				US Patent US8546392 (2013) BindingDB Entry DOI: 10.7270/Q2WW7G8P
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM103338 (US8546392, 59) Show SMILES OC(=O)CCC(=O)Nc1ccc(cc1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C26H21NO5/c28-21-3-1-2-17(15-21)18-6-10-22-19(14-18)7-11-23(29)26(22)16-4-8-20(9-5-16)27-24(30)12-13-25(31)32/h1-11,14-15,28-29H,12-13H2,(H,27,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	221	n/a	n/a	n/a	n/a	n/a	n/a
Universitaet des Saarlandes US Patent					Assay Description Inhibition assay using P450 CYP enzymes.				US Patent US8546392 (2013) BindingDB Entry DOI: 10.7270/Q2WW7G8P
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM103338 (US8546392, 59) Show SMILES OC(=O)CCC(=O)Nc1ccc(cc1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C26H21NO5/c28-21-3-1-2-17(15-21)18-6-10-22-19(14-18)7-11-23(29)26(22)16-4-8-20(9-5-16)27-24(30)12-13-25(31)32/h1-11,14-15,28-29H,12-13H2,(H,27,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Universitaet des Saarlandes US Patent					Assay Description Inhibition assay using P450 CYP enzymes.				US Patent US8546392 (2013) BindingDB Entry DOI: 10.7270/Q2WW7G8P
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM103338 (US8546392, 59) Show SMILES OC(=O)CCC(=O)Nc1ccc(cc1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C26H21NO5/c28-21-3-1-2-17(15-21)18-6-10-22-19(14-18)7-11-23(29)26(22)16-4-8-20(9-5-16)27-24(30)12-13-25(31)32/h1-11,14-15,28-29H,12-13H2,(H,27,30)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Universitaet des Saarlandes US Patent					Assay Description Inhibition assay using P450 CYP enzymes.				US Patent US8546392 (2013) BindingDB Entry DOI: 10.7270/Q2WW7G8P
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM103338 (US8546392, 59) Show SMILES OC(=O)CCC(=O)Nc1ccc(cc1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C26H21NO5/c28-21-3-1-2-17(15-21)18-6-10-22-19(14-18)7-11-23(29)26(22)16-4-8-20(9-5-16)27-24(30)12-13-25(31)32/h1-11,14-15,28-29H,12-13H2,(H,27,30)(H,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universitaet des Saarlandes US Patent					Assay Description Inhibition assay using P450 CYP enzymes.				US Patent US8546392 (2013) BindingDB Entry DOI: 10.7270/Q2WW7G8P
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM103338 (US8546392, 59) Show SMILES OC(=O)CCC(=O)Nc1ccc(cc1)-c1c(O)ccc2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C26H21NO5/c28-21-3-1-2-17(15-21)18-6-10-22-19(14-18)7-11-23(29)26(22)16-4-8-20(9-5-16)27-24(30)12-13-25(31)32/h1-11,14-15,28-29H,12-13H2,(H,27,30)(H,31,32)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitaet des Saarlandes US Patent					Assay Description Inhibition assay using P450 CYP enzymes.				US Patent US8546392 (2013) BindingDB Entry DOI: 10.7270/Q2WW7G8P
					More data for this Ligand-Target Pair