BDBM50008415 2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::2-[2-chloro-6-(cyclopentylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol::CCPA

SMILES: OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12

InChI Key: InChIKey=XSMYYYQVWPZWIZ-UHFFFAOYSA-N

Data: 20 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 20 hits for monomerid = 50008415   

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)	BDBM50008415 (2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...) Show SMILES OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Heidelberg Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991) Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN
					More data for this Ligand-Target Pair
Adenosine A1 receptor (BOVINE)	BDBM50008415 (2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...) Show SMILES OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Heidelberg Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991) Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (A1) (Oryctolagus cuniculus (Rabbit))	BDBM50008415 (2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...) Show SMILES OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Heidelberg Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991) Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50008415 (2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...) Show SMILES OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Heidelberg Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991) Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN
					More data for this Ligand-Target Pair
ADORA1 (HAMSTER)	BDBM50008415 (2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...) Show SMILES OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Heidelberg Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991) Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN
					More data for this Ligand-Target Pair
Adenosine A1 receptor (GUINEA PIG)	BDBM50008415 (2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...) Show SMILES OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Heidelberg Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991) Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN
					More data for this Ligand-Target Pair
ADORA1 (Sheep)	BDBM50008415 (2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...) Show SMILES OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Heidelberg Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991) Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN
					More data for this Ligand-Target Pair
Adenosine A1 receptor (GUINEA PIG)	BDBM50008415 (2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...) Show SMILES OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Heidelberg Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991) Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN
					More data for this Ligand-Target Pair
ADORA1 (Chick)	BDBM50008415 (2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...) Show SMILES OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 363: 81-6 (2001) Article DOI: 10.1007/s002100000340 BindingDB Entry DOI: 10.7270/Q25Q4TNC
					More data for this Ligand-Target Pair
ADORA3 (Chick)	BDBM50008415 (2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...) Show SMILES OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)	Reactome pathway GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 363: 81-6 (2001) Article DOI: 10.1007/s002100000340 BindingDB Entry DOI: 10.7270/Q25Q4TNC
					More data for this Ligand-Target Pair
Adenosine A1 receptor (BOVINE)	BDBM50008415 (2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...) Show SMILES OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Heidelberg Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991) Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (A1) (Oryctolagus cuniculus (Rabbit))	BDBM50008415 (2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...) Show SMILES OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Heidelberg Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991) Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50008415 (2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...) Show SMILES OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Heidelberg Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991) Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN
					More data for this Ligand-Target Pair
ADORA1 (HAMSTER)	BDBM50008415 (2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...) Show SMILES OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	23.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Heidelberg Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991) Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN
					More data for this Ligand-Target Pair
ADORA1 (Sheep)	BDBM50008415 (2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...) Show SMILES OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	39.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Heidelberg Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991) Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN
					More data for this Ligand-Target Pair
Adenosine A1 receptor (GUINEA PIG)	BDBM50008415 (2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...) Show SMILES OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	39.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Heidelberg Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 343: 196-201 (1991) Article DOI: 10.1007/bf00168610 BindingDB Entry DOI: 10.7270/Q22V2DMN
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50008415 (2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...) Show SMILES OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	42.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Würzburg Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 357: 1-9 (1998) Article DOI: 10.1007/pl00005131 BindingDB Entry DOI: 10.7270/Q20Z71T3
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50008415 (2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...) Show SMILES OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Camerino Curated by PDSP Ki Database									Bioorg Med Chem 5: 2267-75 (1997) Article DOI: 10.1016/s0968-0896(97)00172-7 BindingDB Entry DOI: 10.7270/Q24Q7SJF
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50008415 (2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...) Show SMILES OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Würzburg Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 357: 1-9 (1998) Article DOI: 10.1007/pl00005131 BindingDB Entry DOI: 10.7270/Q20Z71T3
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50008415 (2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydro...) Show SMILES OCC1OC(C(O)C1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 Show InChI InChI=1S/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmakologisches Institut, Heidelberg Curated by PDSP Ki Database									Naunyn Schmiedebergs Arch Pharmacol 337: 687-9 (1988) Article DOI: 10.1007/bf00175797 BindingDB Entry DOI: 10.7270/Q2QC0216
					More data for this Ligand-Target Pair