null

SMILES: C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)C1(CCCC1)c1ccccc1)n1cnc2c(NC3CCCC3)ncnc12

InChI Key: InChIKey=KXYIEHRCZNUBSU-ZGCBHORLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50112192   

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 (Rattus norvegicus (rat))	BDBM50112192 (1-Phenyl-cyclopentanecarboxylic acid [5-(6-cyclope...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)C1(CCCC1)c1ccccc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C27H34N6O3/c1-17-20(32-26(35)27(13-7-8-14-27)18-9-3-2-4-10-18)22(34)25(36-17)33-16-30-21-23(28-15-29-24(21)33)31-19-11-5-6-12-19/h2-4,9-10,15-17,19-20,22,25,34H,5-8,11-14H2,1H3,(H,32,35)(H,28,29,31)/t17-,20+,22-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description GTP-induced shift at rat Adenosine A1 receptor (A1AR)				J Med Chem 45: 1845-52 (2002) BindingDB Entry DOI: 10.7270/Q20001DD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50112192 (1-Phenyl-cyclopentanecarboxylic acid [5-(6-cyclope...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)C1(CCCC1)c1ccccc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C27H34N6O3/c1-17-20(32-26(35)27(13-7-8-14-27)18-9-3-2-4-10-18)22(34)25(36-17)33-16-30-21-23(28-15-29-24(21)33)31-19-11-5-6-12-19/h2-4,9-10,15-17,19-20,22,25,34H,5-8,11-14H2,1H3,(H,32,35)(H,28,29,31)/t17-,20+,22-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Binding affinity at rat Adenosine A1 receptor in the presence of GTP				J Med Chem 45: 1845-52 (2002) BindingDB Entry DOI: 10.7270/Q20001DD
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50112192 (1-Phenyl-cyclopentanecarboxylic acid [5-(6-cyclope...) Show SMILES C[C@H]1O[C@H]([C@H](O)[C@H]1NC(=O)C1(CCCC1)c1ccccc1)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C27H34N6O3/c1-17-20(32-26(35)27(13-7-8-14-27)18-9-3-2-4-10-18)22(34)25(36-17)33-16-30-21-23(28-15-29-24(21)33)31-19-11-5-6-12-19/h2-4,9-10,15-17,19-20,22,25,34H,5-8,11-14H2,1H3,(H,32,35)(H,28,29,31)/t17-,20+,22-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Binding affinity at rat Adenosine A1 receptor in the absence of GTP				J Med Chem 45: 1845-52 (2002) BindingDB Entry DOI: 10.7270/Q20001DD
					More data for this Ligand-Target Pair