Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM84939'   

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 2A (Rattus norvegicus (rat))	BDBM84939 (1,6-Dimethylergoline-8β-carboxylic acid 2-hydroxy...) Show SMILES CC(O)C(C)OC(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1 Show InChI InChI=1S/C21H28N2O3/c1-12(24)13(2)26-21(25)15-8-17-16-6-5-7-18-20(16)14(10-22(18)3)9-19(17)23(4)11-15/h5-7,10,12-13,15,17,19,24H,8-9,11H2,1-4H3/t12?,13?,15-,17-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem Similars	PubMed	9.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 265: 1272-9 (1993) BindingDB Entry DOI: 10.7270/Q2833QJ4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Monkey)	BDBM84939 (1,6-Dimethylergoline-8β-carboxylic acid 2-hydroxy...) Show SMILES CC(O)C(C)OC(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1 Show InChI InChI=1S/C21H28N2O3/c1-12(24)13(2)26-21(25)15-8-17-16-6-5-7-18-20(16)14(10-22(18)3)9-19(17)23(4)11-15/h5-7,10,12-13,15,17,19,24H,8-9,11H2,1-4H3/t12?,13?,15-,17-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem Similars	PubMed	56.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 265: 1272-9 (1993) BindingDB Entry DOI: 10.7270/Q2833QJ4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (PIG)	BDBM84939 (1,6-Dimethylergoline-8β-carboxylic acid 2-hydroxy...) Show SMILES CC(O)C(C)OC(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1 Show InChI InChI=1S/C21H28N2O3/c1-12(24)13(2)26-21(25)15-8-17-16-6-5-7-18-20(16)14(10-22(18)3)9-19(17)23(4)11-15/h5-7,10,12-13,15,17,19,24H,8-9,11H2,1-4H3/t12?,13?,15-,17-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid UniChem Similars	PubMed	57.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by PDSP Ki Database									J Pharmacol Exp Ther 265: 1272-9 (1993) BindingDB Entry DOI: 10.7270/Q2833QJ4
					More data for this Ligand-Target Pair