Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM264112'   

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))	BDBM264112 (3-(4-(4-(4-(3,5-difluoro-2-oxopyridin-1(2H)-yl)phe...) Show SMILES Fc1cc(F)c(=O)n(c1)-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI InChI=1S/C28H27F2N5O/c29-22-16-26(30)28(36)35(19-22)24-7-5-23(6-8-24)34-13-11-33(12-14-34)10-2-1-3-21-18-32-27-9-4-20(17-31)15-25(21)27/h4-9,15-16,18-19,32H,1-3,10-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.180	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))	BDBM264112 (3-(4-(4-(4-(3,5-difluoro-2-oxopyridin-1(2H)-yl)phe...) Show SMILES Fc1cc(F)c(=O)n(c1)-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI InChI=1S/C28H27F2N5O/c29-22-16-26(30)28(36)35(19-22)24-7-5-23(6-8-24)34-13-11-33(12-14-34)10-2-1-3-21-18-32-27-9-4-20(17-31)15-25(21)27/h4-9,15-16,18-19,32H,1-3,10-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	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