BDBM50340812 5-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)pyrimidine::CHEMBL1760691

SMILES: Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cncnc1

InChI Key: InChIKey=GDYZOSVGSBKPLL-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

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 5 hits for monomerid = 50340812   

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
Pregnane X receptor (Homo sapiens (Human))	BDBM50340812 (5-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cncnc1 Show InChI InChI=1S/C23H20ClN5/c1-29-21(17-5-3-16(4-6-17)18-13-25-15-26-14-18)27-28-22(29)23(11-2-12-23)19-7-9-20(24)10-8-19/h3-10,13-15H,2,11-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Agonist activity at PXR				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2 (Homo sapiens (Human))	BDBM50340812 (5-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cncnc1 Show InChI InChI=1S/C23H20ClN5/c1-29-21(17-5-3-16(4-6-17)18-13-25-15-26-14-18)27-28-22(29)23(11-2-12-23)19-7-9-20(24)10-8-19/h3-10,13-15H,2,11-12H2,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD2				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Mus musculus (mouse))	BDBM50340812 (5-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cncnc1 Show InChI InChI=1S/C23H20ClN5/c1-29-21(17-5-3-16(4-6-17)18-13-25-15-26-14-18)27-28-22(29)23(11-2-12-23)19-7-9-20(24)10-8-19/h3-10,13-15H,2,11-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human))	BDBM50340812 (5-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cncnc1 Show InChI InChI=1S/C23H20ClN5/c1-29-21(17-5-3-16(4-6-17)18-13-25-15-26-14-18)27-28-22(29)23(11-2-12-23)19-7-9-20(24)10-8-19/h3-10,13-15H,2,11-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation counting				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair
11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2) (Mus musculus (mouse))	BDBM50340812 (5-(4-(5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H...) Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1)-c1cncnc1 Show InChI InChI=1S/C23H20ClN5/c1-29-21(17-5-3-16(4-6-17)18-13-25-15-26-14-18)27-28-22(29)23(11-2-12-23)19-7-9-20(24)10-8-19/h3-10,13-15H,2,11-12H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co Curated by ChEMBL					Assay Description Inhibition of mouse 11beta-HSD2				Bioorg Med Chem Lett 21: 2141-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.125 BindingDB Entry DOI: 10.7270/Q2W37WNN
					More data for this Ligand-Target Pair