BDBM50255109 CHEMBL4081196

SMILES: [H][C@@]12CC[C@]3(O)C[C@@H](O)C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)c1cn(Cc2ccccc2)nn1

InChI Key: InChIKey=BTMGSZQBVKGCHR-HTXMBPOHSA-N

Data: 4 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 4 hits for monomerid = 50255109   

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
Na+/K+ ATPase alpha-1/beta-1 (RAT-Rattus norvegicus)	BDBM50255109 (CHEMBL4081196) Show SMILES [H][C@@]12CC[C@]3(O)C[C@@H](O)C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)c1cn(Cc2ccccc2)nn1 |r| Show InChI InChI=1S/C28H39N3O6/c1-25-13-22(34)24-20(7-9-26(36)12-18(33)11-23(35)27(24,26)16-32)28(25,37)10-8-19(25)21-15-31(30-29-21)14-17-5-3-2-4-6-17/h2-6,15,18-20,22-24,32-37H,7-14,16H2,1H3/t18-,19+,20+,22+,23+,24+,25+,26-,27+,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha1/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair
Na+/K+ ATPase alpha-3/beta-1 (Rattus norvegicus)	BDBM50255109 (CHEMBL4081196) Show SMILES [H][C@@]12CC[C@]3(O)C[C@@H](O)C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)c1cn(Cc2ccccc2)nn1 |r| Show InChI InChI=1S/C28H39N3O6/c1-25-13-22(34)24-20(7-9-26(36)12-18(33)11-23(35)27(24,26)16-32)28(25,37)10-8-19(25)21-15-31(30-29-21)14-17-5-3-2-4-6-17/h2-6,15,18-20,22-24,32-37H,7-14,16H2,1H3/t18-,19+,20+,22+,23+,24+,25+,26-,27+,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha3/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair
N+/K+ ATPase alpha-4/beta-1 (Rattus norvegicus)	BDBM50255109 (CHEMBL4081196) Show SMILES [H][C@@]12CC[C@]3(O)C[C@@H](O)C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)c1cn(Cc2ccccc2)nn1 |r| Show InChI InChI=1S/C28H39N3O6/c1-25-13-22(34)24-20(7-9-26(36)12-18(33)11-23(35)27(24,26)16-32)28(25,37)10-8-19(25)21-15-31(30-29-21)14-17-5-3-2-4-6-17/h2-6,15,18-20,22-24,32-37H,7-14,16H2,1H3/t18-,19+,20+,22+,23+,24+,25+,26-,27+,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair
Na+/K+ ATPase alpha-2/beta-1 (Rattus norvegicus)	BDBM50255109 (CHEMBL4081196) Show SMILES [H][C@@]12CC[C@]3(O)C[C@@H](O)C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)c1cn(Cc2ccccc2)nn1 |r| Show InChI InChI=1S/C28H39N3O6/c1-25-13-22(34)24-20(7-9-26(36)12-18(33)11-23(35)27(24,26)16-32)28(25,37)10-8-19(25)21-15-31(30-29-21)14-17-5-3-2-4-6-17/h2-6,15,18-20,22-24,32-37H,7-14,16H2,1H3/t18-,19+,20+,22+,23+,24+,25+,26-,27+,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha2/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair