BDBM50308498 CHEMBL590302::Phenyl(4-phenyl-2-(phenylamino)thiazol-5-yl)methanone

SMILES: O=C(c1sc(Nc2ccccc2)nc1-c1ccccc1)c1ccccc1

InChI Key: InChIKey=LQFHHNJNCSFAOJ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50308498   

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 A2b (Homo sapiens (Human))	BDBM50308498 (CHEMBL590302 | Phenyl(4-phenyl-2-(phenylamino)thia...) Show SMILES O=C(c1sc(Nc2ccccc2)nc1-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H16N2OS/c25-20(17-12-6-2-7-13-17)21-19(16-10-4-1-5-11-16)24-22(26-21)23-18-14-8-3-9-15-18/h1-15H,(H,23,24)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	337	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]PSB-603 from human adenosine A2B receptor expressed in CHO cells				Bioorg Med Chem 18: 2195-203 (2010) Article DOI: 10.1016/j.bmc.2010.01.072 BindingDB Entry DOI: 10.7270/Q2BZ670J
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50308498 (CHEMBL590302 | Phenyl(4-phenyl-2-(phenylamino)thia...) Show SMILES O=C(c1sc(Nc2ccccc2)nc1-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H16N2OS/c25-20(17-12-6-2-7-13-17)21-19(16-10-4-1-5-11-16)24-22(26-21)23-18-14-8-3-9-15-18/h1-15H,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				Bioorg Med Chem 18: 2195-203 (2010) Article DOI: 10.1016/j.bmc.2010.01.072 BindingDB Entry DOI: 10.7270/Q2BZ670J
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM50308498 (CHEMBL590302 | Phenyl(4-phenyl-2-(phenylamino)thia...) Show SMILES O=C(c1sc(Nc2ccccc2)nc1-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H16N2OS/c25-20(17-12-6-2-7-13-17)21-19(16-10-4-1-5-11-16)24-22(26-21)23-18-14-8-3-9-15-18/h1-15H,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatum membrane				Bioorg Med Chem 18: 2195-203 (2010) Article DOI: 10.1016/j.bmc.2010.01.072 BindingDB Entry DOI: 10.7270/Q2BZ670J
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50308498 (CHEMBL590302 | Phenyl(4-phenyl-2-(phenylamino)thia...) Show SMILES O=C(c1sc(Nc2ccccc2)nc1-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H16N2OS/c25-20(17-12-6-2-7-13-17)21-19(16-10-4-1-5-11-16)24-22(26-21)23-18-14-8-3-9-15-18/h1-15H,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex membrane				Bioorg Med Chem 18: 2195-203 (2010) Article DOI: 10.1016/j.bmc.2010.01.072 BindingDB Entry DOI: 10.7270/Q2BZ670J
					More data for this Ligand-Target Pair