BDBM50051676 2-(2-Chloro-phenyl)-5,6-dimethyl-7-((S)-1-phenyl-ethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine::CHEMBL316202

SMILES: C[C@@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1Cl

InChI Key: InChIKey=LMMWKBUULPTEDR-HNNXBMFYSA-N

Data: 2 KI

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 = 50051676   

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 (Rattus norvegicus (rat))	BDBM50051676 (2-(2-Chloro-phenyl)-5,6-dimethyl-7-((S)-1-phenyl-e...) Show SMILES C[C@@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1Cl Show InChI InChI=1S/C22H21ClN4/c1-13-14(2)27(15(3)16-9-5-4-6-10-16)22-19(13)20(24)25-21(26-22)17-11-7-8-12-18(17)23/h4-12,15H,1-3H3,(H2,24,25,26)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	273	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Radioligand binding assay for [3H]-PIA affinity towards Adenosine A1 receptor of rat cerebral cortical membrane				J Med Chem 39: 2482-91 (1996) Article DOI: 10.1021/jm960011w BindingDB Entry DOI: 10.7270/Q27H1HPH
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50051676 (2-(2-Chloro-phenyl)-5,6-dimethyl-7-((S)-1-phenyl-e...) Show SMILES C[C@@H](c1ccccc1)n1c(C)c(C)c2c(N)nc(nc12)-c1ccccc1Cl Show InChI InChI=1S/C22H21ClN4/c1-13-14(2)27(15(3)16-9-5-4-6-10-16)22-19(13)20(24)25-21(26-22)17-11-7-8-12-18(17)23/h4-12,15H,1-3H3,(H2,24,25,26)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Julius-Maximilians-Universität Würzburg Curated by ChEMBL					Assay Description Radioligand binding assay for [3H]-NECA affinity towards adenosine A2A receptor of rat striatum				J Med Chem 39: 2482-91 (1996) Article DOI: 10.1021/jm960011w BindingDB Entry DOI: 10.7270/Q27H1HPH
					More data for this Ligand-Target Pair