BDBM50393188 CHEMBL2153620

SMILES: CC1CCC(CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21

InChI Key: InChIKey=HXKSIAZEWSOTLE-UHFFFAOYSA-N

Data: 5 KI  2 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 7 hits for monomerid = 50393188   

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 Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50393188 (CHEMBL2153620) Show SMILES CC1CCC(CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(38.63,-4.22,;37.75,-2.96,;36.21,-3.1,;35.33,-1.85,;35.97,-.45,;37.5,-.3,;38.39,-1.56,;35.09,.81,;35.73,2.22,;34.83,3.48,;33.29,3.33,;32.65,1.92,;33.55,.66,;32.65,-.58,;31.19,-.1,;29.86,-.86,;29.86,-2.4,;28.53,-.1,;27.2,-.87,;28.53,1.44,;27.2,2.2,;29.86,2.21,;29.86,3.75,;31.19,1.44,)| Show InChI InChI=1S/C17H25N5O2/c1-11-5-7-12(8-6-11)21-9-4-10-22-13-14(18-16(21)22)19(2)17(24)20(3)15(13)23/h11-12H,4-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane				Eur J Med Chem 46: 3590-607 (2011) Article DOI: 10.1016/j.ejmech.2011.05.023 BindingDB Entry DOI: 10.7270/Q2ZC840S
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50393188 (CHEMBL2153620) Show SMILES CC1CCC(CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(38.63,-4.22,;37.75,-2.96,;36.21,-3.1,;35.33,-1.85,;35.97,-.45,;37.5,-.3,;38.39,-1.56,;35.09,.81,;35.73,2.22,;34.83,3.48,;33.29,3.33,;32.65,1.92,;33.55,.66,;32.65,-.58,;31.19,-.1,;29.86,-.86,;29.86,-2.4,;28.53,-.1,;27.2,-.87,;28.53,1.44,;27.2,2.2,;29.86,2.21,;29.86,3.75,;31.19,1.44,)| Show InChI InChI=1S/C17H25N5O2/c1-11-5-7-12(8-6-11)21-9-4-10-22-13-14(18-16(21)22)19(2)17(24)20(3)15(13)23/h11-12H,4-10H2,1-3H3	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	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells				Eur J Med Chem 46: 3590-607 (2011) Article DOI: 10.1016/j.ejmech.2011.05.023 BindingDB Entry DOI: 10.7270/Q2ZC840S
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50393188 (CHEMBL2153620) Show SMILES CC1CCC(CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(38.63,-4.22,;37.75,-2.96,;36.21,-3.1,;35.33,-1.85,;35.97,-.45,;37.5,-.3,;38.39,-1.56,;35.09,.81,;35.73,2.22,;34.83,3.48,;33.29,3.33,;32.65,1.92,;33.55,.66,;32.65,-.58,;31.19,-.1,;29.86,-.86,;29.86,-2.4,;28.53,-.1,;27.2,-.87,;28.53,1.44,;27.2,2.2,;29.86,2.21,;29.86,3.75,;31.19,1.44,)| Show InChI InChI=1S/C17H25N5O2/c1-11-5-7-12(8-6-11)21-9-4-10-22-13-14(18-16(21)22)19(2)17(24)20(3)15(13)23/h11-12H,4-10H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells				Eur J Med Chem 46: 3590-607 (2011) Article DOI: 10.1016/j.ejmech.2011.05.023 BindingDB Entry DOI: 10.7270/Q2ZC840S
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50393188 (CHEMBL2153620) Show SMILES CC1CCC(CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(38.63,-4.22,;37.75,-2.96,;36.21,-3.1,;35.33,-1.85,;35.97,-.45,;37.5,-.3,;38.39,-1.56,;35.09,.81,;35.73,2.22,;34.83,3.48,;33.29,3.33,;32.65,1.92,;33.55,.66,;32.65,-.58,;31.19,-.1,;29.86,-.86,;29.86,-2.4,;28.53,-.1,;27.2,-.87,;28.53,1.44,;27.2,2.2,;29.86,2.21,;29.86,3.75,;31.19,1.44,)| Show InChI InChI=1S/C17H25N5O2/c1-11-5-7-12(8-6-11)21-9-4-10-22-13-14(18-16(21)22)19(2)17(24)20(3)15(13)23/h11-12H,4-10H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells				Eur J Med Chem 46: 3590-607 (2011) Article DOI: 10.1016/j.ejmech.2011.05.023 BindingDB Entry DOI: 10.7270/Q2ZC840S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50393188 (CHEMBL2153620) Show SMILES CC1CCC(CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(38.63,-4.22,;37.75,-2.96,;36.21,-3.1,;35.33,-1.85,;35.97,-.45,;37.5,-.3,;38.39,-1.56,;35.09,.81,;35.73,2.22,;34.83,3.48,;33.29,3.33,;32.65,1.92,;33.55,.66,;32.65,-.58,;31.19,-.1,;29.86,-.86,;29.86,-2.4,;28.53,-.1,;27.2,-.87,;28.53,1.44,;27.2,2.2,;29.86,2.21,;29.86,3.75,;31.19,1.44,)| Show InChI InChI=1S/C17H25N5O2/c1-11-5-7-12(8-6-11)21-9-4-10-22-13-14(18-16(21)22)19(2)17(24)20(3)15(13)23/h11-12H,4-10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells				Eur J Med Chem 46: 3590-607 (2011) Article DOI: 10.1016/j.ejmech.2011.05.023 BindingDB Entry DOI: 10.7270/Q2ZC840S
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50393188 (CHEMBL2153620) Show SMILES CC1CCC(CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(38.63,-4.22,;37.75,-2.96,;36.21,-3.1,;35.33,-1.85,;35.97,-.45,;37.5,-.3,;38.39,-1.56,;35.09,.81,;35.73,2.22,;34.83,3.48,;33.29,3.33,;32.65,1.92,;33.55,.66,;32.65,-.58,;31.19,-.1,;29.86,-.86,;29.86,-2.4,;28.53,-.1,;27.2,-.87,;28.53,1.44,;27.2,2.2,;29.86,2.21,;29.86,3.75,;31.19,1.44,)| Show InChI InChI=1S/C17H25N5O2/c1-11-5-7-12(8-6-11)21-9-4-10-22-13-14(18-16(21)22)19(2)17(24)20(3)15(13)23/h11-12H,4-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	263	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from rat adenosine A2A receptor				Eur J Med Chem 46: 3590-607 (2011) Article DOI: 10.1016/j.ejmech.2011.05.023 BindingDB Entry DOI: 10.7270/Q2ZC840S
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50393188 (CHEMBL2153620) Show SMILES CC1CCC(CC1)N1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(38.63,-4.22,;37.75,-2.96,;36.21,-3.1,;35.33,-1.85,;35.97,-.45,;37.5,-.3,;38.39,-1.56,;35.09,.81,;35.73,2.22,;34.83,3.48,;33.29,3.33,;32.65,1.92,;33.55,.66,;32.65,-.58,;31.19,-.1,;29.86,-.86,;29.86,-2.4,;28.53,-.1,;27.2,-.87,;28.53,1.44,;27.2,2.2,;29.86,2.21,;29.86,3.75,;31.19,1.44,)| Show InChI InChI=1S/C17H25N5O2/c1-11-5-7-12(8-6-11)21-9-4-10-22-13-14(18-16(21)22)19(2)17(24)20(3)15(13)23/h11-12H,4-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from rat adenosine A2A receptor in presence of 100 mM NaCl				Eur J Med Chem 46: 3590-607 (2011) Article DOI: 10.1016/j.ejmech.2011.05.023 BindingDB Entry DOI: 10.7270/Q2ZC840S
					More data for this Ligand-Target Pair