BDBM50080287 1-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-ethyl]-imidazolidin-2-one::CHEMBL82197

SMILES: Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1

InChI Key: InChIKey=KQKYOWHVYGWBHO-UHFFFAOYSA-N

Data: 2 KI  4 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 6 hits for monomerid = 50080287   

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))	BDBM50080287 (1-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrim...) Show SMILES Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C19H22N6O/c1-12-13(2)22-18-15(12)17(20-8-10-25-11-9-21-19(25)26)23-16(24-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,26)(H2,20,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	144	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 A2a (Homo sapiens (Human))	BDBM50080287 (1-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrim...) Show SMILES Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C19H22N6O/c1-12-13(2)22-18-15(12)17(20-8-10-25-11-9-21-19(25)26)23-16(24-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,26)(H2,20,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	215	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 [3H]-DPCPX to human A1 receptor (hA1) 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))	BDBM50080287 (1-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrim...) Show SMILES Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C19H22N6O/c1-12-13(2)22-18-15(12)17(20-8-10-25-11-9-21-19(25)26)23-16(24-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,26)(H2,20,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	422	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 yeast cells transformed with human A1 receptor (hA1)				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))	BDBM50080287 (1-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrim...) Show SMILES Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C19H22N6O/c1-12-13(2)22-18-15(12)17(20-8-10-25-11-9-21-19(25)26)23-16(24-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,26)(H2,20,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	364	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 yeast cells transformed with human A1 receptor (hA1)				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))	BDBM50080287 (1-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrim...) Show SMILES Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C19H22N6O/c1-12-13(2)22-18-15(12)17(20-8-10-25-11-9-21-19(25)26)23-16(24-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,26)(H2,20,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	604	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 A2a (Homo sapiens (Human))	BDBM50080287 (1-[2-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrim...) Show SMILES Cc1[nH]c2nc(nc(NCCN3CCNC3=O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C19H22N6O/c1-12-13(2)22-18-15(12)17(20-8-10-25-11-9-21-19(25)26)23-16(24-18)14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,21,26)(H2,20,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	725	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