Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 4922   

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
Transmembrane and immunoglobulin domain-containing 3 (RAT)	BDBM50021484 (5-(6-Cyclohexylamino-purin-9-yl)-3,4-dihydroxy-tet...) Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CCCCC3)ncnc12 Show InChI InChI=1S/C18H26N6O4/c1-2-19-17(27)14-12(25)13(26)18(28-14)24-9-22-11-15(20-8-21-16(11)24)23-10-6-4-3-5-7-10/h8-10,12-14,18,25-26H,2-7H2,1H3,(H,19,27)(H,20,21,23)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	33.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									Mol Pharmacol 45: 978-82 (1994) BindingDB Entry DOI: 10.7270/Q2J101P9
					More data for this Ligand-Target Pair
Transmembrane and immunoglobulin domain-containing 3 (RAT)	BDBM50006730 ((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...) Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	218	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									Mol Pharmacol 45: 978-82 (1994) BindingDB Entry DOI: 10.7270/Q2J101P9
					More data for this Ligand-Target Pair
Transmembrane and immunoglobulin domain-containing 3 (RAT)	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PubMed	261	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by PDSP Ki Database									Mol Pharmacol 45: 978-82 (1994) BindingDB Entry DOI: 10.7270/Q2J101P9
					More data for this Ligand-Target Pair