BDBM50134963 CHEMBL146342::Phosphoric acid mono-[(1R,5S)-4-(2-bromo-6-methylamino-purin-9-yl)-1-phosphonooxymethyl-bicyclo[3.1.0]hex-2-yl] ester

SMILES: CNc1nc(Br)nc2n(cnc12)C1CC(OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12

InChI Key: InChIKey=LOQCGOUFFKIFMK-GQUAPUQYSA-N

Data: 1 KI  1 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 = 50134963   

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))	BDBM50134963 (CHEMBL146342 | Phosphoric acid mono-[(1R,5S)-4-(2-...) Show SMILES CNc1nc(Br)nc2n(cnc12)C1CC(OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C13H18BrN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7?,8?,13+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells				J Med Chem 46: 4974-87 (2003) Article DOI: 10.1021/jm030127+ BindingDB Entry DOI: 10.7270/Q2NS0T9D
					More data for this Ligand-Target Pair
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50134963 (CHEMBL146342 | Phosphoric acid mono-[(1R,5S)-4-(2-...) Show SMILES CNc1nc(Br)nc2n(cnc12)C1CC(OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12 Show InChI InChI=1S/C13H18BrN5O8P2/c1-15-10-9-11(18-12(14)17-10)19(5-16-9)7-2-8(27-29(23,24)25)13(3-6(7)13)4-26-28(20,21)22/h5-8H,2-4H2,1H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t6-,7?,8?,13+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Antagonistic activity against P2Y purinoceptor 1				J Med Chem 46: 4974-87 (2003) Article DOI: 10.1021/jm030127+ BindingDB Entry DOI: 10.7270/Q2NS0T9D
					More data for this Ligand-Target Pair