BDBM50457100 CHEMBL4218105

SMILES: Cc1ccc(cc1)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2ccco2)CC1

InChI Key: InChIKey=KQLMKDVBZAWJSH-UHFFFAOYSA-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 = 50457100   

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 A2a and A3 (Rattus norvegicus (rat))	BDBM50457100 (CHEMBL4218105) Show SMILES Cc1ccc(cc1)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2ccco2)CC1 Show InChI InChI=1S/C24H27N9O2/c1-16-5-7-17(8-6-16)31-12-9-30(10-13-31)11-14-32-21-19(29(2)24(32)34)22-26-20(18-4-3-15-35-18)28-33(22)23(25)27-21/h3-8,15H,9-14H2,1-2H3,(H2,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at rat A2A receptor assessed as reduction in CGS-21680-induced cAMP level pretreated for 15 mins followed by CGS-21680 addition m...				ACS Med Chem Lett 8: 835-840 (2017) Article DOI: 10.1021/acsmedchemlett.7b00175 BindingDB Entry DOI: 10.7270/Q2571FMD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50457100 (CHEMBL4218105) Show SMILES Cc1ccc(cc1)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2ccco2)CC1 Show InChI InChI=1S/C24H27N9O2/c1-16-5-7-17(8-6-16)31-12-9-30(10-13-31)11-14-32-21-19(29(2)24(32)34)22-26-20(18-4-3-15-35-18)28-33(22)23(25)27-21/h3-8,15H,9-14H2,1-2H3,(H2,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human A2A receptor expressed in HEK293 cell membranes assessed as reduction in CGS-21680-induced cAMP level pretreated for 15 ...				ACS Med Chem Lett 8: 835-840 (2017) Article DOI: 10.1021/acsmedchemlett.7b00175 BindingDB Entry DOI: 10.7270/Q2571FMD
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50457100 (CHEMBL4218105) Show SMILES Cc1ccc(cc1)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2ccco2)CC1 Show InChI InChI=1S/C24H27N9O2/c1-16-5-7-17(8-6-16)31-12-9-30(10-13-31)11-14-32-21-19(29(2)24(32)34)22-26-20(18-4-3-15-35-18)28-33(22)23(25)27-21/h3-8,15H,9-14H2,1-2H3,(H2,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 90 mins radioligand binding assay				ACS Med Chem Lett 8: 835-840 (2017) Article DOI: 10.1021/acsmedchemlett.7b00175 BindingDB Entry DOI: 10.7270/Q2571FMD
					More data for this Ligand-Target Pair