BDBM50331933 2-(3-(3-methylisoxazol-5-yl)-2-oxo-4-phenethyl-1,2-dihydroquinolin-6-yloxy)-N-(2-phenylpropan-2-yl)acetamide::CHEMBL1290102

SMILES: Cc1cc(on1)-c1c(CCc2ccccc2)c2cc(OCC(=O)NC(C)(C)c3ccccc3)ccc2[nH]c1=O

InChI Key: InChIKey=BOFQEGROHMEPMB-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 = 50331933   

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))	BDBM50331933 (2-(3-(3-methylisoxazol-5-yl)-2-oxo-4-phenethyl-1,2...) Show SMILES Cc1cc(on1)-c1c(CCc2ccccc2)c2cc(OCC(=O)NC(C)(C)c3ccccc3)ccc2[nH]c1=O Show InChI InChI=1S/C32H31N3O4/c1-21-18-28(39-35-21)30-25(16-14-22-10-6-4-7-11-22)26-19-24(15-17-27(26)33-31(30)37)38-20-29(36)34-32(2,3)23-12-8-5-9-13-23/h4-13,15,17-19H,14,16,20H2,1-3H3,(H,33,37)(H,34,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 2 hrs				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50331933 (2-(3-(3-methylisoxazol-5-yl)-2-oxo-4-phenethyl-1,2...) Show SMILES Cc1cc(on1)-c1c(CCc2ccccc2)c2cc(OCC(=O)NC(C)(C)c3ccccc3)ccc2[nH]c1=O Show InChI InChI=1S/C32H31N3O4/c1-21-18-28(39-35-21)30-25(16-14-22-10-6-4-7-11-22)26-19-24(15-17-27(26)33-31(30)37)38-20-29(36)34-32(2,3)23-12-8-5-9-13-23/h4-13,15,17-19H,14,16,20H2,1-3H3,(H,33,37)(H,34,36)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human adenosine A2B receptor transfected in CHO cells assessed as inhibition of NECA-induced cAMP accumulation treated 15 mins...				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50331933 (2-(3-(3-methylisoxazol-5-yl)-2-oxo-4-phenethyl-1,2...) Show SMILES Cc1cc(on1)-c1c(CCc2ccccc2)c2cc(OCC(=O)NC(C)(C)c3ccccc3)ccc2[nH]c1=O Show InChI InChI=1S/C32H31N3O4/c1-21-18-28(39-35-21)30-25(16-14-22-10-6-4-7-11-22)26-19-24(15-17-27(26)33-31(30)37)38-20-29(36)34-32(2,3)23-12-8-5-9-13-23/h4-13,15,17-19H,14,16,20H2,1-3H3,(H,33,37)(H,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]SCH58261 from human adenosine A2A receptor transfected in HEK293 cells				Bioorg Med Chem Lett 20: 7414-20 (2010) Article DOI: 10.1016/j.bmcl.2010.10.030 BindingDB Entry DOI: 10.7270/Q2WH2Q60
					More data for this Ligand-Target Pair