BDBM50393186 CHEMBL2153608

SMILES: CC(=O)OC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21

InChI Key: InChIKey=CSGMEJFYAZKTRL-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50393186   

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))	BDBM50393186 (CHEMBL2153608) Show SMILES CC(=O)OC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(3.24,-21.68,;2.66,-20.26,;3.6,-19.04,;1.14,-20.05,;.55,-18.63,;-.97,-18.42,;-1.55,-17,;-.61,-15.78,;.91,-15.98,;1.49,-17.41,;-1.21,-14.36,;-.17,-13.2,;-.43,-11.66,;-1.79,-10.9,;-3.23,-11.5,;-3.66,-13,;-2.77,-14.27,;-3.67,-15.51,;-5.13,-15.04,;-6.46,-15.8,;-6.46,-17.33,;-7.79,-15.03,;-9.12,-15.81,;-7.79,-13.5,;-9.12,-12.73,;-6.46,-12.72,;-6.46,-11.18,;-5.13,-13.5,)| Show InChI InChI=1S/C19H27N5O4/c1-12(25)28-14-8-6-13(7-9-14)23-10-4-5-11-24-15-16(20-18(23)24)21(2)19(27)22(3)17(15)26/h13-14H,4-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.74E+3	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 A1 (Rattus norvegicus (rat))	BDBM50393186 (CHEMBL2153608) Show SMILES CC(=O)OC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(3.24,-21.68,;2.66,-20.26,;3.6,-19.04,;1.14,-20.05,;.55,-18.63,;-.97,-18.42,;-1.55,-17,;-.61,-15.78,;.91,-15.98,;1.49,-17.41,;-1.21,-14.36,;-.17,-13.2,;-.43,-11.66,;-1.79,-10.9,;-3.23,-11.5,;-3.66,-13,;-2.77,-14.27,;-3.67,-15.51,;-5.13,-15.04,;-6.46,-15.8,;-6.46,-17.33,;-7.79,-15.03,;-9.12,-15.81,;-7.79,-13.5,;-9.12,-12.73,;-6.46,-12.72,;-6.46,-11.18,;-5.13,-13.5,)| Show InChI InChI=1S/C19H27N5O4/c1-12(25)28-14-8-6-13(7-9-14)23-10-4-5-11-24-15-16(20-18(23)24)21(2)19(27)22(3)17(15)26/h13-14H,4-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.87E+3	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 adenosine A1 receptor in rat brain cortical 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 A1 (Homo sapiens (Human))	BDBM50393186 (CHEMBL2153608) Show SMILES CC(=O)OC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(3.24,-21.68,;2.66,-20.26,;3.6,-19.04,;1.14,-20.05,;.55,-18.63,;-.97,-18.42,;-1.55,-17,;-.61,-15.78,;.91,-15.98,;1.49,-17.41,;-1.21,-14.36,;-.17,-13.2,;-.43,-11.66,;-1.79,-10.9,;-3.23,-11.5,;-3.66,-13,;-2.77,-14.27,;-3.67,-15.51,;-5.13,-15.04,;-6.46,-15.8,;-6.46,-17.33,;-7.79,-15.03,;-9.12,-15.81,;-7.79,-13.5,;-9.12,-12.73,;-6.46,-12.72,;-6.46,-11.18,;-5.13,-13.5,)| Show InChI InChI=1S/C19H27N5O4/c1-12(25)28-14-8-6-13(7-9-14)23-10-4-5-11-24-15-16(20-18(23)24)21(2)19(27)22(3)17(15)26/h13-14H,4-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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 receptor A2a (Homo sapiens (Human))	BDBM50393186 (CHEMBL2153608) Show SMILES CC(=O)OC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(3.24,-21.68,;2.66,-20.26,;3.6,-19.04,;1.14,-20.05,;.55,-18.63,;-.97,-18.42,;-1.55,-17,;-.61,-15.78,;.91,-15.98,;1.49,-17.41,;-1.21,-14.36,;-.17,-13.2,;-.43,-11.66,;-1.79,-10.9,;-3.23,-11.5,;-3.66,-13,;-2.77,-14.27,;-3.67,-15.51,;-5.13,-15.04,;-6.46,-15.8,;-6.46,-17.33,;-7.79,-15.03,;-9.12,-15.81,;-7.79,-13.5,;-9.12,-12.73,;-6.46,-12.72,;-6.46,-11.18,;-5.13,-13.5,)| Show InChI InChI=1S/C19H27N5O4/c1-12(25)28-14-8-6-13(7-9-14)23-10-4-5-11-24-15-16(20-18(23)24)21(2)19(27)22(3)17(15)26/h13-14H,4-11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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]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 A3 (Homo sapiens (Human))	BDBM50393186 (CHEMBL2153608) Show SMILES CC(=O)OC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(3.24,-21.68,;2.66,-20.26,;3.6,-19.04,;1.14,-20.05,;.55,-18.63,;-.97,-18.42,;-1.55,-17,;-.61,-15.78,;.91,-15.98,;1.49,-17.41,;-1.21,-14.36,;-.17,-13.2,;-.43,-11.66,;-1.79,-10.9,;-3.23,-11.5,;-3.66,-13,;-2.77,-14.27,;-3.67,-15.51,;-5.13,-15.04,;-6.46,-15.8,;-6.46,-17.33,;-7.79,-15.03,;-9.12,-15.81,;-7.79,-13.5,;-9.12,-12.73,;-6.46,-12.72,;-6.46,-11.18,;-5.13,-13.5,)| Show InChI InChI=1S/C19H27N5O4/c1-12(25)28-14-8-6-13(7-9-14)23-10-4-5-11-24-15-16(20-18(23)24)21(2)19(27)22(3)17(15)26/h13-14H,4-11H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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 A2b (Homo sapiens (Human))	BDBM50393186 (CHEMBL2153608) Show SMILES CC(=O)OC1CCC(CC1)N1CCCCn2c1nc1n(C)c(=O)n(C)c(=O)c21 |(3.24,-21.68,;2.66,-20.26,;3.6,-19.04,;1.14,-20.05,;.55,-18.63,;-.97,-18.42,;-1.55,-17,;-.61,-15.78,;.91,-15.98,;1.49,-17.41,;-1.21,-14.36,;-.17,-13.2,;-.43,-11.66,;-1.79,-10.9,;-3.23,-11.5,;-3.66,-13,;-2.77,-14.27,;-3.67,-15.51,;-5.13,-15.04,;-6.46,-15.8,;-6.46,-17.33,;-7.79,-15.03,;-9.12,-15.81,;-7.79,-13.5,;-9.12,-12.73,;-6.46,-12.72,;-6.46,-11.18,;-5.13,-13.5,)| Show InChI InChI=1S/C19H27N5O4/c1-12(25)28-14-8-6-13(7-9-14)23-10-4-5-11-24-15-16(20-18(23)24)21(2)19(27)22(3)17(15)26/h13-14H,4-11H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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