BDBM50367270 CHEMBL606297

SMILES: CNC(=O)Cc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1

InChI Key: InChIKey=VKWSUNCCYYHASL-USELOVPRSA-N

Data: 3 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 3 hits for monomerid = 50367270   

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))	BDBM50367270 (CHEMBL606297) Show SMILES CNC(=O)Cc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C19H22N6O5/c1-20-13(27)6-10-2-4-11(5-3-10)24-17-14-18(22-8-21-17)25(9-23-14)19-16(29)15(28)12(7-26)30-19/h2-5,8-9,12,15-16,19,26,28-29H,6-7H2,1H3,(H,20,27)(H,21,22,24)/t12-,15-,16-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.				J Med Chem 28: 1341-6 (1985) BindingDB Entry DOI: 10.7270/Q2BP03CS
					More data for this Ligand-Target Pair
Adenosine receptor (Rattus norvegicus (rat))	BDBM50367270 (CHEMBL606297) Show SMILES CNC(=O)Cc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C19H22N6O5/c1-20-13(27)6-10-2-4-11(5-3-10)24-17-14-18(22-8-21-17)25(9-23-14)19-16(29)15(28)12(7-26)30-19/h2-5,8-9,12,15-16,19,26,28-29H,6-7H2,1H3,(H,20,27)(H,21,22,24)/t12-,15-,16-,19?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [3H]N6-phenylisopropyl adenosine to adenosine receptor in rat cerebral cortex membranes				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Rattus norvegicus (rat))	BDBM50367270 (CHEMBL606297) Show SMILES CNC(=O)Cc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r| Show InChI InChI=1S/C19H22N6O5/c1-20-13(27)6-10-2-4-11(5-3-10)24-17-14-18(22-8-21-17)25(9-23-14)19-16(29)15(28)12(7-26)30-19/h2-5,8-9,12,15-16,19,26,28-29H,6-7H2,1H3,(H,20,27)(H,21,22,24)/t12-,15-,16-,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit the binding of [125I]physalaemin to the SP receptors in rat telencephalon slices				J Med Chem 30: 1529-32 (1987) BindingDB Entry DOI: 10.7270/Q24M954B
					More data for this Ligand-Target Pair