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SMILES: Cc1[nH]c2nc(nc(N[C@@H]3Cc4ccccc4[C@H]3O)c2c1C)-c1ccccc1

InChI Key: InChIKey=AQAMSAQCNMJLLH-UYAOXDASSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50080290   

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
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080290 ((1R,2R)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]...) Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3Cc4ccccc4[C@H]3O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C23H22N4O/c1-13-14(2)24-22-19(13)23(27-21(26-22)15-8-4-3-5-9-15)25-18-12-16-10-6-7-11-17(16)20(18)28/h3-11,18,20,28H,12H2,1-2H3,(H2,24,25,26,27)/t18-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	896	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080290 ((1R,2R)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]...) Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3Cc4ccccc4[C@H]3O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C23H22N4O/c1-13-14(2)24-22-19(13)23(27-21(26-22)15-8-4-3-5-9-15)25-18-12-16-10-6-7-11-17(16)20(18)28/h3-11,18,20,28H,12H2,1-2H3,(H2,24,25,26,27)/t18-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50080290 ((1R,2R)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]...) Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3Cc4ccccc4[C@H]3O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C23H22N4O/c1-13-14(2)24-22-19(13)23(27-21(26-22)15-8-4-3-5-9-15)25-18-12-16-10-6-7-11-17(16)20(18)28/h3-11,18,20,28H,12H2,1-2H3,(H2,24,25,26,27)/t18-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against membranes from HEK293 cells stably expressing the human A2a receptor (hA2a)				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50080290 ((1R,2R)-2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]...) Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3Cc4ccccc4[C@H]3O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C23H22N4O/c1-13-14(2)24-22-19(13)23(27-21(26-22)15-8-4-3-5-9-15)25-18-12-16-10-6-7-11-17(16)20(18)28/h3-11,18,20,28H,12H2,1-2H3,(H2,24,25,26,27)/t18-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against binding of the [3H]-DPCPX to human A1 receptor (hA1) radioligands using competition binding assay				Bioorg Med Chem Lett 9: 2413-8 (1999) BindingDB Entry DOI: 10.7270/Q2PR7V5N
					More data for this Ligand-Target Pair