BDBM50080289 (R)-3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-azepan-2-one::CHEMBL312503

SMILES: Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1

InChI Key: InChIKey=AWPURNFXMIKEIM-OAHLLOKOSA-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 = 50080289   

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))	BDBM50080289 ((R)-3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...) Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C20H23N5O/c1-12-13(2)22-18-16(12)19(23-15-10-6-7-11-21-20(15)26)25-17(24-18)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,26)(H2,22,23,24,25)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	771	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 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))	BDBM50080289 ((R)-3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...) Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C20H23N5O/c1-12-13(2)22-18-16(12)19(23-15-10-6-7-11-21-20(15)26)25-17(24-18)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,26)(H2,22,23,24,25)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	962	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))	BDBM50080289 ((R)-3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...) Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C20H23N5O/c1-12-13(2)22-18-16(12)19(23-15-10-6-7-11-21-20(15)26)25-17(24-18)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,26)(H2,22,23,24,25)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.26E+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]-CGS-21,680 to human A2a receptor (hA2a) 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))	BDBM50080289 ((R)-3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...) Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C20H23N5O/c1-12-13(2)22-18-16(12)19(23-15-10-6-7-11-21-20(15)26)25-17(24-18)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,26)(H2,22,23,24,25)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.11E+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 [3H]-CGS-21,680 to human A2a receptor (hA2a) 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))	BDBM50080289 ((R)-3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...) Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C20H23N5O/c1-12-13(2)22-18-16(12)19(23-15-10-6-7-11-21-20(15)26)25-17(24-18)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,26)(H2,22,23,24,25)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cadus Pharmaceutical Corporation Curated by ChEMBL					Assay Description Binding affinity towards human A1 receptor (hA1) was measured through displacement of [3H]-DPCPX using mammalian cell membranes				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))	BDBM50080289 ((R)-3-(5,6-Dimethyl-2-phenyl-7H-pyrrolo[2,3-d]pyri...) Show SMILES Cc1[nH]c2nc(nc(N[C@@H]3CCCCNC3=O)c2c1C)-c1ccccc1 Show InChI InChI=1S/C20H23N5O/c1-12-13(2)22-18-16(12)19(23-15-10-6-7-11-21-20(15)26)25-17(24-18)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,21,26)(H2,22,23,24,25)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.54E+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 [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