BDBM50118234 CHEMBL129904::MRS 2160

SMILES: Cc1nc(N=Nc2ccc(C(O)=O)c(Cl)c2)c(COP(O)(O)=O)c(C=O)c1O

InChI Key: InChIKey=KMRWDYZPXRUNAQ-UHFFFAOYSA-N

Data: 1 IC50  2 Kd

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 = 50118234   

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
P2X purinoceptor 4 (RAT)	BDBM50118234 (CHEMBL129904 | MRS 2160) Show SMILES Cc1nc(N=Nc2ccc(C(O)=O)c(Cl)c2)c(COP(O)(O)=O)c(C=O)c1O |w:5.5| Show InChI InChI=1S/C15H13ClN3O8P/c1-7-13(21)10(5-20)11(6-27-28(24,25)26)14(17-7)19-18-8-2-3-9(15(22)23)12(16)4-8/h2-5,21H,6H2,1H3,(H,22,23)(H2,24,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Dissociation constant of the copound at P2X purinoceptor 1 (P2X1) from rat vas deferens was reported				J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71
					More data for this Ligand-Target Pair
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50118234 (CHEMBL129904 | MRS 2160) Show SMILES Cc1nc(N=Nc2ccc(C(O)=O)c(Cl)c2)c(COP(O)(O)=O)c(C=O)c1O |w:5.5| Show InChI InChI=1S/C15H13ClN3O8P/c1-7-13(21)10(5-20)11(6-27-28(24,25)26)14(17-7)19-18-8-2-3-9(15(22)23)12(16)4-8/h2-5,21H,6H2,1H3,(H,22,23)(H2,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description The compound was evaluated for antagonistic activity at P2Y purinoceptor 1 (P2Y1) from guinea pig taenia coli				J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (RAT)	BDBM50118234 (CHEMBL129904 | MRS 2160) Show SMILES Cc1nc(N=Nc2ccc(C(O)=O)c(Cl)c2)c(COP(O)(O)=O)c(C=O)c1O |w:5.5| Show InChI InChI=1S/C15H13ClN3O8P/c1-7-13(21)10(5-20)11(6-27-28(24,25)26)14(17-7)19-18-8-2-3-9(15(22)23)12(16)4-8/h2-5,21H,6H2,1H3,(H,22,23)(H2,24,25,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description The compound was evaluated for antagonist activity against P2X purinoceptor 1 (P2X1) receptor from rat vas deferens				J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71
					More data for this Ligand-Target Pair