BDBM50267476 2-Chloro-N6-(+/-)-endo-norbornyl-9H-(2-C-methyl-5-chloro-5-deoxy-beta-D-ribofuranosyl)adenine::CHEMBL514701

SMILES: C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12

InChI Key: InChIKey=MCWKNNFERCKYEZ-JJSDLRPOSA-N

Data: 4 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 4 hits for monomerid = 50267476   

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))	BDBM50267476 (2-Chloro-N6-(+/-)-endo-norbornyl-9H-(2-C-methyl-5-...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,TLB:15:16:20.19:22| Show InChI InChI=1S/C18H23Cl2N5O3/c1-18(27)13(26)11(6-19)28-16(18)25-7-21-12-14(23-17(20)24-15(12)25)22-10-5-8-2-3-9(10)4-8/h7-11,13,16,26-27H,2-6H2,1H3,(H,22,23,24)/t8?,9?,10?,11-,13-,16-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells				J Med Chem 52: 2393-406 (2009) Article DOI: 10.1021/jm801456g BindingDB Entry DOI: 10.7270/Q2C8296Z
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50267476 (2-Chloro-N6-(+/-)-endo-norbornyl-9H-(2-C-methyl-5-...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,TLB:15:16:20.19:22| Show InChI InChI=1S/C18H23Cl2N5O3/c1-18(27)13(26)11(6-19)28-16(18)25-7-21-12-14(23-17(20)24-15(12)25)22-10-5-8-2-3-9(10)4-8/h7-11,13,16,26-27H,2-6H2,1H3,(H,22,23,24)/t8?,9?,10?,11-,13-,16-,18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]HEMADO from human recombinant adenosine A3 receptor expressed in CHO cells				J Med Chem 52: 2393-406 (2009) Article DOI: 10.1021/jm801456g BindingDB Entry DOI: 10.7270/Q2C8296Z
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50267476 (2-Chloro-N6-(+/-)-endo-norbornyl-9H-(2-C-methyl-5-...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,TLB:15:16:20.19:22| Show InChI InChI=1S/C18H23Cl2N5O3/c1-18(27)13(26)11(6-19)28-16(18)25-7-21-12-14(23-17(20)24-15(12)25)22-10-5-8-2-3-9(10)4-8/h7-11,13,16,26-27H,2-6H2,1H3,(H,22,23,24)/t8?,9?,10?,11-,13-,16-,18-/m1/s1	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
University of Camerino Curated by ChEMBL					Assay Description Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity				J Med Chem 52: 2393-406 (2009) Article DOI: 10.1021/jm801456g BindingDB Entry DOI: 10.7270/Q2C8296Z
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50267476 (2-Chloro-N6-(+/-)-endo-norbornyl-9H-(2-C-methyl-5-...) Show SMILES C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12 |r,TLB:15:16:20.19:22| Show InChI InChI=1S/C18H23Cl2N5O3/c1-18(27)13(26)11(6-19)28-16(18)25-7-21-12-14(23-17(20)24-15(12)25)22-10-5-8-2-3-9(10)4-8/h7-11,13,16,26-27H,2-6H2,1H3,(H,22,23,24)/t8?,9?,10?,11-,13-,16-,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	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells				J Med Chem 52: 2393-406 (2009) Article DOI: 10.1021/jm801456g BindingDB Entry DOI: 10.7270/Q2C8296Z
					More data for this Ligand-Target Pair