BDBM50381817 CHEMBL2023643

SMILES: OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ncccn3)cc2)c2ccccc12

InChI Key: InChIKey=HKSWUBIPRJJNHF-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50381817   

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
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50381817 (CHEMBL2023643) Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ncccn3)cc2)c2ccccc12 Show InChI InChI=1S/C23H16N4O4/c28-19(29)12-15-13-26-20(18-5-2-1-4-17(15)18)21(30)14-6-8-16(9-7-14)27-23(31)22-24-10-3-11-25-22/h1-11,13H,12H2,(H,27,31)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis				Bioorg Med Chem 21: 7674-85 (2013) Article DOI: 10.1016/j.bmc.2013.10.025 BindingDB Entry DOI: 10.7270/Q2542Q2W
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50381817 (CHEMBL2023643) Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ncccn3)cc2)c2ccccc12 Show InChI InChI=1S/C23H16N4O4/c28-19(29)12-15-13-26-20(18-5-2-1-4-17(15)18)21(30)14-6-8-16(9-7-14)27-23(31)22-24-10-3-11-25-22/h1-11,13H,12H2,(H,27,31)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human CRTH2 receptor expressed in human KB8 cells assessed as inhibition of PGD2-induced increase in intracellular Ca2+ concen...				Bioorg Med Chem Lett 22: 3305-10 (2012) Article DOI: 10.1016/j.bmcl.2012.03.009 BindingDB Entry DOI: 10.7270/Q2KS6SK7
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50381817 (CHEMBL2023643) Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ncccn3)cc2)c2ccccc12 Show InChI InChI=1S/C23H16N4O4/c28-19(29)12-15-13-26-20(18-5-2-1-4-17(15)18)21(30)14-6-8-16(9-7-14)27-23(31)22-24-10-3-11-25-22/h1-11,13H,12H2,(H,27,31)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 3305-10 (2012) Article DOI: 10.1016/j.bmcl.2012.03.009 BindingDB Entry DOI: 10.7270/Q2KS6SK7
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50381817 (CHEMBL2023643) Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ncccn3)cc2)c2ccccc12 Show InChI InChI=1S/C23H16N4O4/c28-19(29)12-15-13-26-20(18-5-2-1-4-17(15)18)21(30)14-6-8-16(9-7-14)27-23(31)22-24-10-3-11-25-22/h1-11,13H,12H2,(H,27,31)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human CRTH2 transfected in human KB8 cells assessed as inhibition of PGD2-induced increase in intracellular Ca2+ by fluo-4AM d...				Bioorg Med Chem 21: 7674-85 (2013) Article DOI: 10.1016/j.bmc.2013.10.025 BindingDB Entry DOI: 10.7270/Q2542Q2W
					More data for this Ligand-Target Pair