Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM458540'   

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))	BDBM458540 (US10745401, Example 14 | US11466007, Example 20) Show SMILES COc1cc2CCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c2cn1 Show InChI InChI=1S/C23H26N4O3/c1-29-21-14-17-8-11-27(23(28)19(17)15-24-21)13-12-26-9-6-16(7-10-26)22-18-4-2-3-5-20(18)30-25-22/h2-5,14-16H,6-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description Binding affinity of the present compound for human 5-HT1A receptor, human 5-HT2A receptor, and human D2 receptor was measured by the following proced...				US Patent US10745401 (2020) BindingDB Entry DOI: 10.7270/Q2D221P5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM458540 (US10745401, Example 14 | US11466007, Example 20) Show SMILES COc1cc2CCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c2cn1 Show InChI InChI=1S/C23H26N4O3/c1-29-21-14-17-8-11-27(23(28)19(17)15-24-21)13-12-26-9-6-16(7-10-26)22-18-4-2-3-5-20(18)30-25-22/h2-5,14-16H,6-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Present compound for human 5-HT1A receptor, human 5-HT2A receptor, and human D2 receptor was measured by the following procedures. CHO cell membrane ...				Citation and Details BindingDB Entry DOI: 10.7270/Q22V2KB4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM458540 (US10745401, Example 14 | US11466007, Example 20) Show SMILES COc1cc2CCN(CCN3CCC(CC3)c3noc4ccccc34)C(=O)c2cn1 Show InChI InChI=1S/C23H26N4O3/c1-29-21-14-17-8-11-27(23(28)19(17)15-24-21)13-12-26-9-6-16(7-10-26)22-18-4-2-3-5-20(18)30-25-22/h2-5,14-16H,6-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Present compound for human 5-HT1A receptor, human 5-HT2A receptor, and human D2 receptor was measured by the following procedures. CHO cell membrane ...				Citation and Details BindingDB Entry DOI: 10.7270/Q22V2KB4
					More data for this Ligand-Target Pair