BDBM50241815 CHEMBL4082424

SMILES: [H][C@@]12CCC[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](O)[C@@]2(O)C[C@@H](O)CC[C@]12CO

InChI Key: InChIKey=CJBVCRHFXVRNFQ-QWQVMCIESA-N

Data: 2 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 2 hits for monomerid = 50241815   

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
Aldose reductase (Homo sapiens (Human))	BDBM50241815 (CHEMBL4082424) Show SMILES [H][C@@]12CCC[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](O)[C@@]2(O)C[C@@H](O)CC[C@]12CO |r| Show InChI InChI=1S/C19H32O4/c1-17-6-2-3-14(17)13-9-16(22)19(23)10-12(21)4-8-18(19,11-20)15(13)5-7-17/h12-16,20-23H,2-11H2,1H3/t12-,13-,14-,15-,16+,17-,18-,19-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity against high affinity component of adenosine A1 receptors from rat brain membranes using [3H]DPCPX				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10) (Homo sapiens (Human))	BDBM50241815 (CHEMBL4082424) Show SMILES [H][C@@]12CCC[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@@H](O)[C@@]2(O)C[C@@H](O)CC[C@]12CO |r| Show InChI InChI=1S/C19H32O4/c1-17-6-2-3-14(17)13-9-16(22)19(23)10-12(21)4-8-18(19,11-20)15(13)5-7-17/h12-16,20-23H,2-11H2,1H3/t12-,13-,14-,15-,16+,17-,18-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Gifu Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1B10 (1 to 316 residues) expressed in Escherichia coli using pyridine-3-aldehyde as substrate				J Med Chem 60: 8441-8455 (2017) Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7
					More data for this Ligand-Target Pair