Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50035521   

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-1A adrenergic receptor (CALF)	BDBM50026967 (11-(1-Methyl-piperidin-4-ylidene)-9-trifluoromethy...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]=[#6]-c2ccc(-[#16]C(F)(F)F)cc-12 |c:15| Show InChI InChI=1S/C20H19F3N2S/c1-24-10-6-15(7-11-24)19-17-13-16(26-20(21,22)23)5-4-14(17)8-12-25-9-2-3-18(19)25/h2-5,8-9,12-13H,6-7,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]- prazosin radioligand binding at the alpha 1-adrenergic binding site of calf cerebral cortex				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50026964 (9-Bromo-11-(1-methyl-piperidin-4-ylidene)-11H-benz...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]=[#6]-c2ccc(Br)cc-12 |c:15| Show InChI InChI=1S/C19H19BrN2/c1-21-10-6-15(7-11-21)19-17-13-16(20)5-4-14(17)8-12-22-9-2-3-18(19)22/h2-5,8-9,12-13H,6-7,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]- prazosin radioligand binding at the alpha 1-adrenergic binding site of calf cerebral cortex				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50026968 (9-Chloro-11-(1-methyl-piperidin-4-ylidene)-11H-ben...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]=[#6]-c2ccc(Cl)cc-12 |c:15| Show InChI InChI=1S/C19H19ClN2/c1-21-10-6-15(7-11-21)19-17-13-16(20)5-4-14(17)8-12-22-9-2-3-18(19)22/h2-5,8-9,12-13H,6-7,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]- prazosin radioligand binding at the alpha 1-adrenergic binding site of calf cerebral cortex				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50026972 (11-(1-Methyl-piperidin-4-ylidene)-11H-benzo[d]pyrr...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]=[#6]-c2ccccc-12 |c:15| Show InChI InChI=1S/C19H20N2/c1-20-12-8-16(9-13-20)19-17-6-3-2-5-15(17)10-14-21-11-4-7-18(19)21/h2-7,10-11,14H,8-9,12-13H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]- prazosin radioligand binding at the alpha 1-adrenergic binding site of calf cerebral cortex				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50026971 (11-(1-Methyl-piperidin-4-ylidene)-11H-benzo[d]pyrr...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2cccn2-[#6]=[#6]-c2ccc(cc-12)C#N |c:15| Show InChI InChI=1S/C20H19N3/c1-22-10-6-17(7-11-22)20-18-13-15(14-21)4-5-16(18)8-12-23-9-2-3-19(20)23/h2-5,8-9,12-13H,6-7,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]- prazosin radioligand binding at the alpha 1-adrenergic binding site of calf cerebral cortex				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50026973 (11-(1-Methyl-piperidin-4-ylidene)-9-trifluoromethy...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]-[#6]-c2ccc(-[#16]C(F)(F)F)cc-12 Show InChI InChI=1S/C20H21F3N2S/c1-24-10-6-15(7-11-24)19-17-13-16(26-20(21,22)23)5-4-14(17)8-12-25-9-2-3-18(19)25/h2-5,9,13H,6-8,10-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]- prazosin radioligand binding at the alpha 1-adrenergic binding site of calf cerebral cortex				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50026974 (9-Bromo-11-(1-methyl-piperidin-4-ylidene)-6,11-dih...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]-[#6]-c2ccc(Br)cc-12 Show InChI InChI=1S/C19H21BrN2/c1-21-10-6-15(7-11-21)19-17-13-16(20)5-4-14(17)8-12-22-9-2-3-18(19)22/h2-5,9,13H,6-8,10-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]- prazosin radioligand binding at the alpha 1-adrenergic binding site of calf cerebral cortex				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50026970 (9-Chloro-11-(1-methyl-piperidin-4-ylidene)-6,11-di...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]-[#6]-c2ccc(Cl)cc-12 Show InChI InChI=1S/C19H21ClN2/c1-21-10-6-15(7-11-21)19-17-13-16(20)5-4-14(17)8-12-22-9-2-3-18(19)22/h2-5,9,13H,6-8,10-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]- prazosin radioligand binding at the alpha 1-adrenergic binding site of calf cerebral cortex				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50026969 (11-(1-Methyl-piperidin-4-ylidene)-6,11-dihydro-5H-...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C19H22N2/c1-20-12-8-16(9-13-20)19-17-6-3-2-5-15(17)10-14-21-11-4-7-18(19)21/h2-7,11H,8-10,12-14H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]- prazosin radioligand binding at the alpha 1-adrenergic binding site of calf cerebral cortex				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50026963 (11-(1-Methyl-piperidin-4-ylidene)-6,11-dihydro-5H-...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2cccn2-[#6]-[#6]-c2ccc(cc-12)C#N Show InChI InChI=1S/C20H21N3/c1-22-10-6-17(7-11-22)20-18-13-15(14-21)4-5-16(18)8-12-23-9-2-3-19(20)23/h2-5,9,13H,6-8,10-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]- prazosin radioligand binding at the alpha 1-adrenergic binding site of calf cerebral cortex				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50026966 (11-(1-Methyl-piperidin-4-ylidene)-11H-benzo[d]pyrr...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2cccn2-[#6]=[#6]-c2ccc(cc-12)-[#6](-[#8])=O |c:15| Show InChI InChI=1S/C20H20N2O2/c1-21-10-6-15(7-11-21)19-17-13-16(20(23)24)5-4-14(17)8-12-22-9-2-3-18(19)22/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]- prazosin radioligand binding at the alpha 1-adrenergic binding site of calf cerebral cortex				J Med Chem 26: 974-80 (1983) BindingDB Entry DOI: 10.7270/Q2DR2W2B
					More data for this Ligand-Target Pair