BDBM50121987 CHEMBL153254::[3-(2-Chloro-6-methylamino-purin-9-yl)-2-phosphonomethyl-propyl]-phosphonic acid

SMILES: CNc1nc(Cl)nc2n(CC(CP(O)(O)=O)CP(O)(O)=O)cnc12

InChI Key: InChIKey=FFBIISIICFTESN-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 50121987   

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
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50121987 (CHEMBL153254 | [3-(2-Chloro-6-methylamino-purin-9-...) Show SMILES CNc1nc(Cl)nc2n(CC(CP(O)(O)=O)CP(O)(O)=O)cnc12 Show InChI InChI=1S/C10H16ClN5O6P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23(17,18)19)4-24(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Displacement of [3H]MRS2270 from human P2Y1 receptor expressed in Sf9 cells				J Med Chem 50: 3229-41 (2007) Article DOI: 10.1021/jm0700971 BindingDB Entry DOI: 10.7270/Q2BK1C2D
					More data for this Ligand-Target Pair
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50121987 (CHEMBL153254 | [3-(2-Chloro-6-methylamino-purin-9-...) Show SMILES CNc1nc(Cl)nc2n(CC(CP(O)(O)=O)CP(O)(O)=O)cnc12 Show InChI InChI=1S/C10H16ClN5O6P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23(17,18)19)4-24(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	617	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as inhibition of 2-MeS-ADP-stimulated PLC activity				J Med Chem 50: 3229-41 (2007) Article DOI: 10.1021/jm0700971 BindingDB Entry DOI: 10.7270/Q2BK1C2D
					More data for this Ligand-Target Pair
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50121987 (CHEMBL153254 | [3-(2-Chloro-6-methylamino-purin-9-...) Show SMILES CNc1nc(Cl)nc2n(CC(CP(O)(O)=O)CP(O)(O)=O)cnc12 Show InChI InChI=1S/C10H16ClN5O6P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23(17,18)19)4-24(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as inhibition of 2-MeSADP-induced inositol phosphate formation				J Med Chem 50: 3229-41 (2007) Article DOI: 10.1021/jm0700971 BindingDB Entry DOI: 10.7270/Q2BK1C2D
					More data for this Ligand-Target Pair