Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'yarbrough' and Initial = 'gg'   

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)	BDBM31005 (2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...) Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	43	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 from calf cerebral cortex alpha-1 adrenergic receptor				J Med Chem 27: 1182-5 (1984) BindingDB Entry DOI: 10.7270/Q2TM794F
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	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 KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	200	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 from calf cerebral cortex alpha-1 adrenergic receptor				J Med Chem 27: 1182-5 (1984) BindingDB Entry DOI: 10.7270/Q2TM794F
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50026633 (1-(3-Fluoro-pyridin-2-yl)-4-methyl-piperazine | CH...) Show SMILES CN1CCN(CC1)c1ncccc1F Show InChI InChI=1S/C10H14FN3/c1-13-5-7-14(8-6-13)10-9(11)3-2-4-12-10/h2-4H,5-8H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	490	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 from calf cerebral cortex alpha-1 adrenergic receptor				J Med Chem 27: 1182-5 (1984) BindingDB Entry DOI: 10.7270/Q2TM794F
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50026636 (17alpha-hydroxy-20alpha-yohimban-16beta-carboxylic...) 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+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	940	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 from calf cerebral cortex alpha-1 adrenergic receptor				J Med Chem 27: 1182-5 (1984) BindingDB Entry DOI: 10.7270/Q2TM794F
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50026637 (3-Chloro-1'-methyl-1',2',3',6'-tetrahydro-[2,4']bi...) Show SMILES CN1CCC(=CC1)c1ncccc1Cl |c:4| Show InChI InChI=1S/C11H13ClN2/c1-14-7-4-9(5-8-14)11-10(12)3-2-6-13-11/h2-4,6H,5,7-8H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.26E+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 from calf cerebral cortex alpha-1 adrenergic receptor				J Med Chem 27: 1182-5 (1984) BindingDB Entry DOI: 10.7270/Q2TM794F
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50026634 (1-(2-pyridyl)piperazine | 1-(pyridin-2-yl)piperazi...) Show SMILES C1CN(CCN1)c1ccccn1 Show InChI InChI=1S/C9H13N3/c1-2-4-11-9(3-1)12-7-5-10-6-8-12/h1-4,10H,5-8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	2.40E+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 from calf cerebral cortex alpha-1 adrenergic receptor				J Med Chem 27: 1182-5 (1984) BindingDB Entry DOI: 10.7270/Q2TM794F
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50026632 (3,1'-Dimethyl-1',2',3',6'-tetrahydro-[2,4']bipyrid...) Show SMILES CN1CCC(=CC1)c1ncccc1C |c:4| Show InChI InChI=1S/C12H16N2/c1-10-4-3-7-13-12(10)11-5-8-14(2)9-6-11/h3-5,7H,6,8-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+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 from calf cerebral cortex alpha-1 adrenergic receptor				J Med Chem 27: 1182-5 (1984) BindingDB Entry DOI: 10.7270/Q2TM794F
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50026635 (1'-Methyl-1',2',3',6'-tetrahydro-[2,4']bipyridinyl...) Show SMILES CN1CCC(=CC1)c1ccccn1 |c:4| Show InChI InChI=1S/C11H14N2/c1-13-8-5-10(6-9-13)11-4-2-3-7-12-11/h2-5,7H,6,8-9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.50E+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 from calf cerebral cortex alpha-1 adrenergic receptor				J Med Chem 27: 1182-5 (1984) BindingDB Entry DOI: 10.7270/Q2TM794F
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50026639 (1'-Methyl-1',2',3',4',5',6'-hexahydro-[2,4']bipyri...) Show SMILES CN1CCC(CC1)c1ccccn1 Show InChI InChI=1S/C11H16N2/c1-13-8-5-10(6-9-13)11-4-2-3-7-12-11/h2-4,7,10H,5-6,8-9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.50E+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 from calf cerebral cortex alpha-1 adrenergic receptor				J Med Chem 27: 1182-5 (1984) BindingDB Entry DOI: 10.7270/Q2TM794F
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50026640 (3-Fluoro-1'-methyl-1',2',3',6'-tetrahydro-[2,4']bi...) Show SMILES CN1CCC(=CC1)c1ncccc1F |c:4| Show InChI InChI=1S/C11H13FN2/c1-14-7-4-9(5-8-14)11-10(12)3-2-6-13-11/h2-4,6H,5,7-8H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	3.30E+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 from calf cerebral cortex alpha-1 adrenergic receptor				J Med Chem 27: 1182-5 (1984) BindingDB Entry DOI: 10.7270/Q2TM794F
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50026630 (1',2',3',6'-Tetrahydro-[2,4']bipyridinyl | CHEMBL2...) Show SMILES C1CC(=CCN1)c1ccccn1 |c:2| Show InChI InChI=1S/C10H12N2/c1-2-6-12-10(3-1)9-4-7-11-8-5-9/h1-4,6,11H,5,7-8H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.00E+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 from calf cerebral cortex alpha-1 adrenergic receptor				J Med Chem 27: 1182-5 (1984) BindingDB Entry DOI: 10.7270/Q2TM794F
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50026638 (1'-Methyl-1',2',3',6'-tetrahydro-[3,4']bipyridinyl...) Show SMILES CN1CCC(=CC1)c1cccnc1 |c:4| Show InChI InChI=1S/C11H14N2/c1-13-7-4-10(5-8-13)11-3-2-6-12-9-11/h2-4,6,9H,5,7-8H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.80E+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 from calf cerebral cortex alpha-1 adrenergic receptor				J Med Chem 27: 1182-5 (1984) BindingDB Entry DOI: 10.7270/Q2TM794F
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (CALF)	BDBM50026631 (3'-Fluoro-1-methyl-1,2,3,6-tetrahydro-[4,4']bipyri...) Show SMILES CN1CCC(=CC1)c1ccncc1F |c:4| Show InChI InChI=1S/C11H13FN2/c1-14-6-3-9(4-7-14)10-2-5-13-8-11(10)12/h2-3,5,8H,4,6-7H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7.70E+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 from calf cerebral cortex alpha-1 adrenergic receptor				J Med Chem 27: 1182-5 (1984) BindingDB Entry DOI: 10.7270/Q2TM794F
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50001888 ((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...) Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for displacement of rat caudate dopamine receptors by using [3H]spiperone as radioligand				J Med Chem 26: 564-9 (1983) BindingDB Entry DOI: 10.7270/Q2Z89FMX
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50001888 ((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...) Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12 Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for displacement of rat caudate dopamine receptors by using [3H]apomorphine as radioligand				J Med Chem 26: 564-9 (1983) BindingDB Entry DOI: 10.7270/Q2Z89FMX
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50224804 (CHEMBL359320) Show SMILES CN(C)CCCN1c2ccccc2Sc2ncc(Cl)nc12 Show InChI InChI=1S/C15H17ClN4S/c1-19(2)8-5-9-20-11-6-3-4-7-12(11)21-15-14(20)18-13(16)10-17-15/h3-4,6-7,10H,5,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for displacement of rat caudate dopamine receptors by using [3H]spiperone as radioligand				J Med Chem 26: 564-9 (1983) BindingDB Entry DOI: 10.7270/Q2Z89FMX
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50224804 (CHEMBL359320) Show SMILES CN(C)CCCN1c2ccccc2Sc2ncc(Cl)nc12 Show InChI InChI=1S/C15H17ClN4S/c1-19(2)8-5-9-20-11-6-3-4-7-12(11)21-15-14(20)18-13(16)10-17-15/h3-4,6-7,10H,5,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for displacement of rat caudate dopamine receptors by using [3H]apomorphine as radioligand				J Med Chem 26: 564-9 (1983) BindingDB Entry DOI: 10.7270/Q2Z89FMX
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50224802 (CHEMBL442771) Show SMILES CN(C)CCCN1c2ccccc2Sc2ncc(C)nc12 Show InChI InChI=1S/C16H20N4S/c1-12-11-17-16-15(18-12)20(10-6-9-19(2)3)13-7-4-5-8-14(13)21-16/h4-5,7-8,11H,6,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for displacement of rat striatal dopamine receptors by using [3H]apomorphine as radioligand				J Med Chem 26: 564-9 (1983) BindingDB Entry DOI: 10.7270/Q2Z89FMX
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50224802 (CHEMBL442771) Show SMILES CN(C)CCCN1c2ccccc2Sc2ncc(C)nc12 Show InChI InChI=1S/C16H20N4S/c1-12-11-17-16-15(18-12)20(10-6-9-19(2)3)13-7-4-5-8-14(13)21-16/h4-5,7-8,11H,6,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	382	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for displacement of rat caudate dopamine receptors by using [3H]spiperone as radioligand				J Med Chem 26: 564-9 (1983) BindingDB Entry DOI: 10.7270/Q2Z89FMX
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50224803 (CHEMBL155079) Show SMILES CN(C)CCCN1c2ccccc2Sc2nc(Cl)cnc12 Show InChI InChI=1S/C15H17ClN4S/c1-19(2)8-5-9-20-11-6-3-4-7-12(11)21-15-14(20)17-10-13(16)18-15/h3-4,6-7,10H,5,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	553	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for displacement of rat caudate dopamine receptors by using [3H]spiperone as radioligand				J Med Chem 26: 564-9 (1983) BindingDB Entry DOI: 10.7270/Q2Z89FMX
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50224803 (CHEMBL155079) Show SMILES CN(C)CCCN1c2ccccc2Sc2nc(Cl)cnc12 Show InChI InChI=1S/C15H17ClN4S/c1-19(2)8-5-9-20-11-6-3-4-7-12(11)21-15-14(20)17-10-13(16)18-15/h3-4,6-7,10H,5,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for displacement of rat caudate dopamine receptors by using [3H]apomorphine as radioligand				J Med Chem 26: 564-9 (1983) BindingDB Entry DOI: 10.7270/Q2Z89FMX
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50224805 (CHEMBL149645) Show SMILES CN(C)CCCN1c2cc(Cl)ccc2Sc2nccnc12 Show InChI InChI=1S/C15H17ClN4S/c1-19(2)8-3-9-20-12-10-11(16)4-5-13(12)21-15-14(20)17-6-7-18-15/h4-7,10H,3,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for displacement of rat striatal dopamine receptors by using [3H]apomorphine as radioligand				J Med Chem 26: 564-9 (1983) BindingDB Entry DOI: 10.7270/Q2Z89FMX
					More data for this Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50224805 (CHEMBL149645) Show SMILES CN(C)CCCN1c2cc(Cl)ccc2Sc2nccnc12 Show InChI InChI=1S/C15H17ClN4S/c1-19(2)8-3-9-20-12-10-11(16)4-5-13(12)21-15-14(20)17-6-7-18-15/h4-7,10H,3,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for displacement of rat caudate dopamine receptors by using [3H]spiperone as radioligand				J Med Chem 26: 564-9 (1983) BindingDB Entry DOI: 10.7270/Q2Z89FMX
					More data for this Ligand-Target Pair