BDBM50527141 CHEMBL4536899

SMILES: Nc1nc(SCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O

InChI Key: InChIKey=XPXPQQYUCVQSPM-SCFUHWHPSA-N

Data: 3 KI

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 3 hits for monomerid = 50527141   

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
5'-nucleotidase (Homo sapiens (Human))	BDBM50527141 (CHEMBL4536899) Show SMILES Nc1nc(SCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H31N5O9P2S/c20-16-13-17(23-19(22-16)36-7-6-11-4-2-1-3-5-11)24(9-21-13)18-15(26)14(25)12(33-18)8-32-35(30,31)10-34(27,28)29/h9,11-12,14-15,18,25-26H,1-8,10H2,(H,30,31)(H2,20,22,23)(H2,27,28,29)/t12-,14-,15-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of purified recombinant soluble human CD73 expressed in Sf9 cells [3H]AMP as substrate incubated for 25 mins by scintillation counting met...				J Med Chem 63: 2941-2957 (2020) Article DOI: 10.1021/acs.jmedchem.9b01611
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527141 (CHEMBL4536899) Show SMILES Nc1nc(SCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H31N5O9P2S/c20-16-13-17(23-19(22-16)36-7-6-11-4-2-1-3-5-11)24(9-21-13)18-15(26)14(25)12(33-18)8-32-35(30,31)10-34(27,28)29/h9,11-12,14-15,18,25-26H,1-8,10H2,(H,30,31)(H2,20,22,23)(H2,27,28,29)/t12-,14-,15-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of native CD73 in human MDA-MB-231 cell membrane preparations [3H]AMP as substrate incubated for 25 mins by scintillation counting method				J Med Chem 63: 2941-2957 (2020) Article DOI: 10.1021/acs.jmedchem.9b01611
					More data for this Ligand-Target Pair
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50527141 (CHEMBL4536899) Show SMILES Nc1nc(SCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H31N5O9P2S/c20-16-13-17(23-19(22-16)36-7-6-11-4-2-1-3-5-11)24(9-21-13)18-15(26)14(25)12(33-18)8-32-35(30,31)10-34(27,28)29/h9,11-12,14-15,18,25-26H,1-8,10H2,(H,30,31)(H2,20,22,23)(H2,27,28,29)/t12-,14-,15-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of purified recombinant soluble rat CD73 expressed in Sf9 cells [3H]AMP as substrate incubated for 25 mins by scintillation counting metho...				J Med Chem 63: 2941-2957 (2020) Article DOI: 10.1021/acs.jmedchem.9b01611
					More data for this Ligand-Target Pair