Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1A' and Ligand = 'BDBM50034330'   

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))	BDBM50034330 ((3aR,9bS) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2CC[C@@H]3[C@@H](CCN3CC=C)c12 Show InChI InChI=1S/C16H21NO/c1-3-10-17-11-9-13-14(17)8-7-12-5-4-6-15(18-2)16(12)13/h3-6,13-14H,1,7-11H2,2H3/t13-,14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus, used [3H]8-OH-DPAT as radioligand				J Med Chem 36: 1301-15 (1993) BindingDB Entry DOI: 10.7270/Q2TD9Z06
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Mus musculus (Mouse))	BDBM50034330 ((3aR,9bS) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2CC[C@@H]3[C@@H](CCN3CC=C)c12 Show InChI InChI=1S/C16H21NO/c1-3-10-17-11-9-13-14(17)8-7-12-5-4-6-15(18-2)16(12)13/h3-6,13-14H,1,7-11H2,2H3/t13-,14-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity against [3H]-8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in cloned CHO cells				J Med Chem 36: 1053-68 (1993) BindingDB Entry DOI: 10.7270/Q29S1Q3R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50034330 ((3aR,9bS) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2CC[C@@H]3[C@@H](CCN3CC=C)c12 Show InChI InChI=1S/C16H21NO/c1-3-10-17-11-9-13-14(17)8-7-12-5-4-6-15(18-2)16(12)13/h3-6,13-14H,1,7-11H2,2H3/t13-,14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Binding affinity against [3H]-8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in bovine hippocampus				J Med Chem 36: 1053-68 (1993) BindingDB Entry DOI: 10.7270/Q29S1Q3R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50034330 ((3aR,9bS) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2CC[C@@H]3[C@@H](CCN3CC=C)c12 Show InChI InChI=1S/C16H21NO/c1-3-10-17-11-9-13-14(17)8-7-12-5-4-6-15(18-2)16(12)13/h3-6,13-14H,1,7-11H2,2H3/t13-,14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Arris Pharmaceutical Corporation Curated by ChEMBL					Assay Description Tested for activity against 5-hydroxytryptamine 1A receptor from bovine hippocampus				J Med Chem 38: 1295-308 (1995) BindingDB Entry DOI: 10.7270/Q2CJ8CJ9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50034330 ((3aR,9bS) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2CC[C@@H]3[C@@H](CCN3CC=C)c12 Show InChI InChI=1S/C16H21NO/c1-3-10-17-11-9-13-14(17)8-7-12-5-4-6-15(18-2)16(12)13/h3-6,13-14H,1,7-11H2,2H3/t13-,14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus, used [3H]8-OH-DPAT as radioligand				J Med Chem 36: 1301-15 (1993) BindingDB Entry DOI: 10.7270/Q2TD9Z06
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50034330 ((3aR,9bS) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydr...) Show SMILES COc1cccc2CC[C@@H]3[C@@H](CCN3CC=C)c12 Show InChI InChI=1S/C16H21NO/c1-3-10-17-11-9-13-14(17)8-7-12-5-4-6-15(18-2)16(12)13/h3-6,13-14H,1,7-11H2,2H3/t13-,14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus, used [3H]8-OH-DPAT as radioligand				J Med Chem 36: 1301-15 (1993) BindingDB Entry DOI: 10.7270/Q2TD9Z06
					More data for this Ligand-Target Pair