BDBM50527140 CHEMBL4472826

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

InChI Key: InChIKey=SAWBMJODLSSAGJ-QYVSTXNMSA-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 = 50527140   

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))	BDBM50527140 (CHEMBL4472826) Show SMILES Nc1nc(SCC=C)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/C14H21N5O9P2S/c1-2-3-31-14-17-11(15)8-12(18-14)19(5-16-8)13-10(21)9(20)7(28-13)4-27-30(25,26)6-29(22,23)24/h2,5,7,9-10,13,20-21H,1,3-4,6H2,(H,25,26)(H2,15,17,18)(H2,22,23,24)/t7-,9-,10-,13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	62	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))	BDBM50527140 (CHEMBL4472826) Show SMILES Nc1nc(SCC=C)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/C14H21N5O9P2S/c1-2-3-31-14-17-11(15)8-12(18-14)19(5-16-8)13-10(21)9(20)7(28-13)4-27-30(25,26)6-29(22,23)24/h2,5,7,9-10,13,20-21H,1,3-4,6H2,(H,25,26)(H2,15,17,18)(H2,22,23,24)/t7-,9-,10-,13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	65	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))	BDBM50527140 (CHEMBL4472826) Show SMILES Nc1nc(SCC=C)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/C14H21N5O9P2S/c1-2-3-31-14-17-11(15)8-12(18-14)19(5-16-8)13-10(21)9(20)7(28-13)4-27-30(25,26)6-29(22,23)24/h2,5,7,9-10,13,20-21H,1,3-4,6H2,(H,25,26)(H2,15,17,18)(H2,22,23,24)/t7-,9-,10-,13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	66	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