Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM264113'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM264113 (3-(3-(4-(4-(3,5-difluoro-2-oxopyridin-1(2H)-yl)phe...) Show SMILES Fc1cc(F)c(=O)n(c1)-c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI InChI=1S/C27H25F2N5O/c28-21-15-25(29)27(35)34(18-21)23-6-4-22(5-7-23)33-12-10-32(11-13-33)9-1-2-20-17-31-26-8-3-19(16-30)14-24(20)26/h3-8,14-15,17-18,31H,1-2,9-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.310	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description Human HEK-293 cell homogenates (36 μg protein) were incubated at 22° C. for 60 minutes with 0.3 nM [3H]8-0H-DPAT (Perkin-Elmer) in the absence o...				US Patent US9714232 (2017) BindingDB Entry DOI: 10.7270/Q28054N5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM264113 (3-(3-(4-(4-(3,5-difluoro-2-oxopyridin-1(2H)-yl)phe...) Show SMILES Fc1cc(F)c(=O)n(c1)-c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI InChI=1S/C27H25F2N5O/c28-21-15-25(29)27(35)34(18-21)23-6-4-22(5-7-23)33-12-10-32(11-13-33)9-1-2-20-17-31-26-8-3-19(16-30)14-24(20)26/h3-8,14-15,17-18,31H,1-2,9-13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.4	n/a
SUNSHINE LAKE PHARMA CO., LTD. US Patent					Assay Description The synaptosomes (150 μg) prepared from a rat brain were incubated at 37° C. for 15 minutes with 0.1 μCi [3H]5-HT in the absence or presenc...				US Patent US9714232 (2017) BindingDB Entry DOI: 10.7270/Q28054N5
					More data for this Ligand-Target Pair