BDBM50224351 CHEMBL235717::N-(8-chloro-1-oxo-2-p-tolyl-1H-3,3a,5,9b-tetraaza-cyclopenta[a]naphthalen-4-yl)-4-methoxy-benzamide

SMILES: COc1ccc(cc1)C(=O)Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccc(C)cc1)c2=O

InChI Key: InChIKey=AFELYHYFSKPYJC-UHFFFAOYSA-N

Data: 3 KI  2 IC50

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 5 hits for monomerid = 50224351   

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 A3 (Homo sapiens (Human))	BDBM50224351 (CHEMBL235717 | N-(8-chloro-1-oxo-2-p-tolyl-1H-3,3a...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccc(C)cc1)c2=O Show InChI InChI=1S/C24H18ClN5O3/c1-14-3-5-15(6-4-14)21-23(32)29-20-13-17(25)9-12-19(20)26-24(30(29)28-21)27-22(31)16-7-10-18(33-2)11-8-16/h3-13H,1-2H3,(H,26,27,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in CHO cells				J Med Chem 50: 5676-84 (2007) Article DOI: 10.1021/jm0708376 BindingDB Entry DOI: 10.7270/Q2SJ1MFX
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50224351 (CHEMBL235717 | N-(8-chloro-1-oxo-2-p-tolyl-1H-3,3a...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccc(C)cc1)c2=O Show InChI InChI=1S/C24H18ClN5O3/c1-14-3-5-15(6-4-14)21-23(32)29-20-13-17(25)9-12-19(20)26-24(30(29)28-21)27-22(31)16-7-10-18(33-2)11-8-16/h3-13H,1-2H3,(H,26,27,31)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells				J Med Chem 50: 5676-84 (2007) Article DOI: 10.1021/jm0708376 BindingDB Entry DOI: 10.7270/Q2SJ1MFX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50224351 (CHEMBL235717 | N-(8-chloro-1-oxo-2-p-tolyl-1H-3,3a...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccc(C)cc1)c2=O Show InChI InChI=1S/C24H18ClN5O3/c1-14-3-5-15(6-4-14)21-23(32)29-20-13-17(25)9-12-19(20)26-24(30(29)28-21)27-22(31)16-7-10-18(33-2)11-8-16/h3-13H,1-2H3,(H,26,27,31)	PDB 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
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells				J Med Chem 50: 5676-84 (2007) Article DOI: 10.1021/jm0708376 BindingDB Entry DOI: 10.7270/Q2SJ1MFX
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50224351 (CHEMBL235717 | N-(8-chloro-1-oxo-2-p-tolyl-1H-3,3a...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccc(C)cc1)c2=O Show InChI InChI=1S/C24H18ClN5O3/c1-14-3-5-15(6-4-14)21-23(32)29-20-13-17(25)9-12-19(20)26-24(30(29)28-21)27-22(31)16-7-10-18(33-2)11-8-16/h3-13H,1-2H3,(H,26,27,31)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.6	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation				J Med Chem 50: 5676-84 (2007) Article DOI: 10.1021/jm0708376 BindingDB Entry DOI: 10.7270/Q2SJ1MFX
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50224351 (CHEMBL235717 | N-(8-chloro-1-oxo-2-p-tolyl-1H-3,3a...) Show SMILES COc1ccc(cc1)C(=O)Nc1nc2ccc(Cl)cc2n2n1nc(-c1ccc(C)cc1)c2=O Show InChI InChI=1S/C24H18ClN5O3/c1-14-3-5-15(6-4-14)21-23(32)29-20-13-17(25)9-12-19(20)26-24(30(29)28-21)27-22(31)16-7-10-18(33-2)11-8-16/h3-13H,1-2H3,(H,26,27,31)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated cAMP accumulation				J Med Chem 50: 5676-84 (2007) Article DOI: 10.1021/jm0708376 BindingDB Entry DOI: 10.7270/Q2SJ1MFX
					More data for this Ligand-Target Pair