Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with all data for entry = 2040   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50091043 (CHEMBL3582115) Show SMILES Cc1cnn(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2CCCc12 |(2.53,-4.52,;3.46,-3.71,;4.96,-4.03,;5.74,-2.7,;4.71,-1.55,;4.96,-.35,;3.32,-2.19,;2,-1.39,;.66,-2.11,;-.68,-1.39,;-.68,.15,;-2,.92,;-3.35,.15,;-4.41,-.49,;-3.32,1.38,;-3.35,-1.39,;-4.41,-2.03,;-2,-2.11,;-.91,-2.69,;-3.08,-2.71,;.66,.92,;.98,2.43,;2.53,2.6,;3.17,1.19,;2,.15,)| Show InChI InChI=1S/C30H58O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-38-21-23(37-2)22-39-30(36)40-29-26(33)24(20-31)25(32)27(34)28(29)35/h23-29,31-35H,3-22H2,1-2H3/t23-,24-,25?,26?,27?,28?,29?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human glucocorticoid receptor transfected in CHOK1 cells assessed as inhibition of dexamethasone-induced receptor transcriptio...				J Med Chem 58: 4918-26 (2015) Article DOI: 10.1021/jm501758q BindingDB Entry DOI: 10.7270/Q2WM1G4V
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50091041 (CHEMBL3582116) Show SMILES Cc1ncn(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2CCCc12 |(4.97,-.35,;4.72,-1.55,;5.75,-2.7,;4.97,-4.04,;3.46,-3.71,;2.54,-4.53,;3.33,-2.19,;2,-1.4,;.66,-2.11,;-.68,-1.4,;-.68,.15,;-2,.93,;-3.36,.15,;-4.42,-.49,;-3.33,1.38,;-3.36,-1.4,;-4.42,-2.03,;-2,-2.11,;-.91,-2.7,;-3.08,-2.71,;.66,.93,;.98,2.44,;2.53,2.61,;3.17,1.19,;2,.15,)| Show InChI InChI=1S/C29H56O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36-21-23(35-2)22-37-29(34)38-28-25(31)20-24(30)26(32)27(28)33/h23-28,30-33H,3-22H2,1-2H3/t23-,24?,25?,26?,27?,28?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human glucocorticoid receptor transfected in CHOK1 cells assessed as inhibition of dexamethasone-induced receptor transcriptio...				J Med Chem 58: 4918-26 (2015) Article DOI: 10.1021/jm501758q BindingDB Entry DOI: 10.7270/Q2WM1G4V
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50091045 (CHEMBL3582113) Show SMILES Cc1noc(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2CCCCc12 |(2.38,-4.74,;3.3,-3.91,;4.82,-4.24,;5.6,-2.89,;4.56,-1.74,;4.81,-.52,;3.16,-2.38,;1.81,-1.6,;.47,-2.38,;-.85,-1.6,;-.85,,;-2.21,.72,;-3.55,,;-4.62,-.63,;-3.5,1.24,;-3.55,-1.6,;-4.63,-2.23,;-2.21,-2.38,;-1.12,-2.98,;-3.3,-2.97,;.47,.72,;.47,2.27,;1.81,3.06,;3.17,2.27,;3.17,.72,;1.81,,)| Show InChI InChI=1S/C22H28N2O2/c1-12-18(13(2)26-24-12)16-11-17-19(15-10-8-7-9-14(15)16)23-22(5,6)20(25)21(17,3)4/h11,23H,7-10H2,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human glucocorticoid receptor transfected in CHOK1 cells assessed as inhibition of dexamethasone-induced receptor transcriptio...				J Med Chem 58: 4918-26 (2015) Article DOI: 10.1021/jm501758q BindingDB Entry DOI: 10.7270/Q2WM1G4V
					More data for this Ligand-Target Pair

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