BDBM210749 US9290454, 3.1

SMILES: OC(=O)CCCCc1cc2cc(ccc2c(=O)n1-c1ccc(F)cc1)C(=O)N[C@@H]1CCCc2ccccc12

InChI Key: InChIKey=NQNJIZQEJBHWNF-MUUNZHRXSA-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 = 210749   

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
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM210749 (US9290454, 3.1) Show SMILES OC(=O)CCCCc1cc2cc(ccc2c(=O)n1-c1ccc(F)cc1)C(=O)N[C@@H]1CCCc2ccccc12 Show InChI InChI=1S/C31H29FN2O4/c32-23-13-15-24(16-14-23)34-25(8-2-4-11-29(35)36)19-22-18-21(12-17-27(22)31(34)38)30(37)33-28-10-5-7-20-6-1-3-9-26(20)28/h1,3,6,9,12-19,28H,2,4-5,7-8,10-11H2,(H,33,37)(H,35,36)/t28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 (unknown origin) assessed as inhibition of CD11b activation				Bioorg Med Chem Lett 27: 5344-5348 (2017) Article DOI: 10.1016/j.bmcl.2017.07.064 BindingDB Entry DOI: 10.7270/Q2HX1G7W
					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM210749 (US9290454, 3.1) Show SMILES OC(=O)CCCCc1cc2cc(ccc2c(=O)n1-c1ccc(F)cc1)C(=O)N[C@@H]1CCCc2ccccc12 Show InChI InChI=1S/C31H29FN2O4/c32-23-13-15-24(16-14-23)34-25(8-2-4-11-29(35)36)19-22-18-21(12-17-27(22)31(34)38)30(37)33-28-10-5-7-20-6-1-3-9-26(20)28/h1,3,6,9,12-19,28H,2,4-5,7-8,10-11H2,(H,33,37)(H,35,36)/t28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.79	-12.2	n/a	n/a	n/a	n/a	n/a	7.4	50
Merck Sharp & Dohme Corp. US Patent					Assay Description Radioligand binding was performed using filtration or scintillation proximity assay (SPA) technology. SPA assays were done at room temperature in 10 ...				US Patent US9290454 (2016) BindingDB Entry DOI: 10.7270/Q2W66JMQ
					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM210749 (US9290454, 3.1) Show SMILES OC(=O)CCCCc1cc2cc(ccc2c(=O)n1-c1ccc(F)cc1)C(=O)N[C@@H]1CCCc2ccccc12 Show InChI InChI=1S/C31H29FN2O4/c32-23-13-15-24(16-14-23)34-25(8-2-4-11-29(35)36)19-22-18-21(12-17-27(22)31(34)38)30(37)33-28-10-5-7-20-6-1-3-9-26(20)28/h1,3,6,9,12-19,28H,2,4-5,7-8,10-11H2,(H,33,37)(H,35,36)/t28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Antagonist activity at human CRTh2 expressed in HEK cells assessed as inhibition of DK-PGD2-mediated attenuation of forskolin-induced cAMP accumulati...				Bioorg Med Chem Lett 27: 5344-5348 (2017) Article DOI: 10.1016/j.bmcl.2017.07.064 BindingDB Entry DOI: 10.7270/Q2HX1G7W
					More data for this Ligand-Target Pair