BDBM50224760 2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-Nmethylcarbamoyl-beta-D-ribofuranosyl)adenine::CHEMBL254064

SMILES: CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O

InChI Key: InChIKey=IQPCHXGNQWZETD-UOYMAUKRSA-N

Data: 6 KI  1 EC50

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 = 50224760   

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 A1 receptor (GUINEA PIG)	BDBM50224760 (2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-Nmethylca...) Show SMILES CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O Show InChI InChI=1S/C18H25ClN6O5/c1-18(28)12(26)10(7-29-17(27)20-2)30-15(18)25-8-21-11-13(22-9-5-3-4-6-9)23-16(19)24-14(11)25/h8-10,12,15,26,28H,3-7H2,1-2H3,(H,20,27)(H,22,23,24)/t10-,12-,15-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine A1 receptor (BOVINE)	BDBM50224760 (2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-Nmethylca...) Show SMILES CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O Show InChI InChI=1S/C18H25ClN6O5/c1-18(28)12(26)10(7-29-17(27)20-2)30-15(18)25-8-21-11-13(22-9-5-3-4-6-9)23-16(19)24-14(11)25/h8-10,12,15,26,28H,3-7H2,1-2H3,(H,20,27)(H,22,23,24)/t10-,12-,15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50224760 (2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-Nmethylca...) Show SMILES CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O Show InChI InChI=1S/C18H25ClN6O5/c1-18(28)12(26)10(7-29-17(27)20-2)30-15(18)25-8-21-11-13(22-9-5-3-4-6-9)23-16(19)24-14(11)25/h8-10,12,15,26,28H,3-7H2,1-2H3,(H,20,27)(H,22,23,24)/t10-,12-,15-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50224760 (2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-Nmethylca...) Show SMILES CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O Show InChI InChI=1S/C18H25ClN6O5/c1-18(28)12(26)10(7-29-17(27)20-2)30-15(18)25-8-21-11-13(22-9-5-3-4-6-9)23-16(19)24-14(11)25/h8-10,12,15,26,28H,3-7H2,1-2H3,(H,20,27)(H,22,23,24)/t10-,12-,15-,18-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Agonist activity at human recombinant adenosine A2B receptor expressed in CHO cells assessed as activation of adenylyl cyclase activity				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50224760 (2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-Nmethylca...) Show SMILES CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O Show InChI InChI=1S/C18H25ClN6O5/c1-18(28)12(26)10(7-29-17(27)20-2)30-15(18)25-8-21-11-13(22-9-5-3-4-6-9)23-16(19)24-14(11)25/h8-10,12,15,26,28H,3-7H2,1-2H3,(H,20,27)(H,22,23,24)/t10-,12-,15-,18-/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	Article PubMed	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50224760 (2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-Nmethylca...) Show SMILES CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O Show InChI InChI=1S/C18H25ClN6O5/c1-18(28)12(26)10(7-29-17(27)20-2)30-15(18)25-8-21-11-13(22-9-5-3-4-6-9)23-16(19)24-14(11)25/h8-10,12,15,26,28H,3-7H2,1-2H3,(H,20,27)(H,22,23,24)/t10-,12-,15-,18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair
Adenosine A1 receptor (GUINEA PIG)	BDBM50224760 (2-chloro-N6-cyclopentyl-9H-(2-C-methyl-5-Nmethylca...) Show SMILES CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc23)[C@](C)(O)[C@@H]1O Show InChI InChI=1S/C18H25ClN6O5/c1-18(28)12(26)10(7-29-17(27)20-2)30-15(18)25-8-21-11-13(22-9-5-3-4-6-9)23-16(19)24-14(11)25/h8-10,12,15,26,28H,3-7H2,1-2H3,(H,20,27)(H,22,23,24)/t10-,12-,15-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	165	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Agonist activity at adenosine A1 receptor in pig cortical membrane assessed as stimulation of GTPgammaS binding				Bioorg Med Chem 16: 336-53 (2008) Article DOI: 10.1016/j.bmc.2007.09.035 BindingDB Entry DOI: 10.7270/Q2T43TXM
					More data for this Ligand-Target Pair