Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for entry = 4893   

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
Alpha-2A adrenergic receptor (PIG)	BDBM50013515 ((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...) Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Creighton University Curated by PDSP Ki Database									J Pharmacol Exp Ther 267: 1126-33 (1993) BindingDB Entry DOI: 10.7270/Q28P5Z1X
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (PIG)	BDBM50030614 (5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...) Show SMILES CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23 Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	54.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Creighton University Curated by PDSP Ki Database									J Pharmacol Exp Ther 267: 1126-33 (1993) BindingDB Entry DOI: 10.7270/Q28P5Z1X
					More data for this Ligand-Target Pair