Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'castro' and Initial = 'ah'   

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
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50448763 (CHEMBL3128030) Show SMILES [O-][N+](=O)c1cccc(c1)-c1cc(cnc1F)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:11:16:19.20:22| Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-2-1-3-13(6-10)21(22)23)7-11(9-19-17)14-8-12-4-5-16(14)20-12/h1-3,6-7,9,12,14,16,20H,4-5,8H2/t12-,14-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current by two-elect...				J Med Chem 57: 836-48 (2014) Article DOI: 10.1021/jm401602p BindingDB Entry DOI: 10.7270/Q2JW8GDR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50448767 (CHEMBL3128029) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(cnc1F)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:11:16:19.20:22| Show InChI InChI=1S/C17H16FN3O2/c18-17-15(10-1-4-13(5-2-10)21(22)23)7-11(9-19-17)14-8-12-3-6-16(14)20-12/h1-2,4-5,7,9,12,14,16,20H,3,6,8H2/t12-,14-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current by two-elect...				J Med Chem 57: 836-48 (2014) Article DOI: 10.1021/jm401602p BindingDB Entry DOI: 10.7270/Q2JW8GDR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50448766 (CHEMBL3128031) Show SMILES Fc1ncc(cc1-c1ccncc1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:4:13:16.17:19| Show InChI InChI=1S/C16H16FN3/c17-16-14(10-3-5-18-6-4-10)7-11(9-19-16)13-8-12-1-2-15(13)20-12/h3-7,9,12-13,15,20H,1-2,8H2/t12-,13-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current by two-elect...				J Med Chem 57: 836-48 (2014) Article DOI: 10.1021/jm401602p BindingDB Entry DOI: 10.7270/Q2JW8GDR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50448765 (CHEMBL3128033) Show SMILES Fc1ncc(cc1-c1ccnc(Cl)c1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:4:14:17.18:20| Show InChI InChI=1S/C16H15ClFN3/c17-15-6-9(3-4-19-15)13-5-10(8-20-16(13)18)12-7-11-1-2-14(12)21-11/h3-6,8,11-12,14,21H,1-2,7H2/t11-,12-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current by two-elect...				J Med Chem 57: 836-48 (2014) Article DOI: 10.1021/jm401602p BindingDB Entry DOI: 10.7270/Q2JW8GDR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50448764 (CHEMBL3128036) Show SMILES Fc1ncc(cc1-c1cccnc1)[C@H]1C[C@H]2CC[C@H]1N2 |r,THB:4:13:16.17:19| Show InChI InChI=1S/C16H16FN3/c17-16-14(10-2-1-5-18-8-10)6-11(9-19-16)13-7-12-3-4-15(13)20-12/h1-2,5-6,8-9,12-13,15,20H,3-4,7H2/t12-,13-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current by two-elect...				J Med Chem 57: 836-48 (2014) Article DOI: 10.1021/jm401602p BindingDB Entry DOI: 10.7270/Q2JW8GDR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50116664 (CHEMBL3608518) Show SMILES [H][C@]12CC[C@@]([H])(N1)[C@H](C2)c1cncc(c1)-c1ccc(OC)nc1 |r| Show InChI InChI=1S/C17H19N3O/c1-21-17-5-2-11(10-19-17)12-6-13(9-18-8-12)15-7-14-3-4-16(15)20-14/h2,5-6,8-10,14-16,20H,3-4,7H2,1H3/t14-,15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced mean current response by ...				Bioorg Med Chem 23: 5693-701 (2015) Article DOI: 10.1016/j.bmc.2015.07.021 BindingDB Entry DOI: 10.7270/Q2W66NKH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50116662 (CHEMBL243971) Show SMILES [H][C@]12CC[C@@]([H])(N1)[C@]([H])(C2)c1cncc(c1)-c1ccc(F)nc1 |THB:10:7:2.3:6| Show InChI InChI=1S/C16H16FN3/c17-16-4-1-10(9-19-16)11-5-12(8-18-7-11)14-6-13-2-3-15(14)20-13/h1,4-5,7-9,13-15,20H,2-3,6H2/t13-,14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced mean current response by ...				Bioorg Med Chem 23: 5693-701 (2015) Article DOI: 10.1016/j.bmc.2015.07.021 BindingDB Entry DOI: 10.7270/Q2W66NKH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50116663 (CHEMBL3608516) Show SMILES [H][C@]12CC[C@@]([H])(N1)[C@H](C2)c1cncc(c1)-c1ccc(Cl)nc1 |r| Show InChI InChI=1S/C16H16ClN3/c17-16-4-1-10(9-19-16)11-5-12(8-18-7-11)14-6-13-2-3-15(14)20-13/h1,4-5,7-9,13-15,20H,2-3,6H2/t13-,14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced mean current response by ...				Bioorg Med Chem 23: 5693-701 (2015) Article DOI: 10.1016/j.bmc.2015.07.021 BindingDB Entry DOI: 10.7270/Q2W66NKH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50116627 (CHEMBL3608512) Show SMILES [H][C@]12CC[C@@]([H])(N1)[C@H](C2)c1cncc(c1)-c1ccnc(Cl)c1 |r| Show InChI InChI=1S/C16H16ClN3/c17-16-6-10(3-4-19-16)11-5-12(9-18-8-11)14-7-13-1-2-15(14)20-13/h3-6,8-9,13-15,20H,1-2,7H2/t13-,14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced mean current response by ...				Bioorg Med Chem 23: 5693-701 (2015) Article DOI: 10.1016/j.bmc.2015.07.021 BindingDB Entry DOI: 10.7270/Q2W66NKH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50116628 (CHEMBL3608514) Show SMILES [H][C@]12CC[C@@]([H])(N1)[C@H](C2)c1cncc(c1)-c1ccnc(OC)c1 |r| Show InChI InChI=1S/C17H19N3O/c1-21-17-7-11(4-5-19-17)12-6-13(10-18-9-12)15-8-14-2-3-16(15)20-14/h4-7,9-10,14-16,20H,2-3,8H2,1H3/t14-,15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+5	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced mean current response by ...				Bioorg Med Chem 23: 5693-701 (2015) Article DOI: 10.1016/j.bmc.2015.07.021 BindingDB Entry DOI: 10.7270/Q2W66NKH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50116660 (CHEMBL3608515) Show SMILES [H][C@]12CC[C@@]([H])(N1)[C@H](C2)c1cncc(c1)-c1cccnc1 |r| Show InChI InChI=1S/C16H17N3/c1-2-11(8-17-5-1)12-6-13(10-18-9-12)15-7-14-3-4-16(15)19-14/h1-2,5-6,8-10,14-16,19H,3-4,7H2/t14-,15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+5	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced mean current response by ...				Bioorg Med Chem 23: 5693-701 (2015) Article DOI: 10.1016/j.bmc.2015.07.021 BindingDB Entry DOI: 10.7270/Q2W66NKH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50116625 (CHEMBL3608510) Show SMILES [H][C@]12CC[C@@]([H])(N1)[C@H](C2)c1cncc(c1)-c1ccncc1 |r| Show InChI InChI=1S/C16H17N3/c1-2-16-15(8-14(1)19-16)13-7-12(9-18-10-13)11-3-5-17-6-4-11/h3-7,9-10,14-16,19H,1-2,8H2/t14-,15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.79E+5	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced mean current response by ...				Bioorg Med Chem 23: 5693-701 (2015) Article DOI: 10.1016/j.bmc.2015.07.021 BindingDB Entry DOI: 10.7270/Q2W66NKH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50116626 (CHEMBL3608511) Show SMILES [H][C@]12CC[C@@]([H])(N1)[C@H](C2)c1cncc(c1)-c1ccnc(F)c1 |r| Show InChI InChI=1S/C16H16FN3/c17-16-6-10(3-4-19-16)11-5-12(9-18-8-11)14-7-13-1-2-15(14)20-13/h3-6,8-9,13-15,20H,1-2,7H2/t13-,14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Antagonist activity at rat alpha7 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced mean current response by ...				Bioorg Med Chem 23: 5693-701 (2015) Article DOI: 10.1016/j.bmc.2015.07.021 BindingDB Entry DOI: 10.7270/Q2W66NKH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50166908 (5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...) Show SMILES C1C2CNCC1c1cc3nccnc3cc21 Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha3beta4 nAChR expressed in Xenopus laevis oocytes assessed as stimulation of acetylcholine-induced current by two-electro...				J Med Chem 57: 836-48 (2014) Article DOI: 10.1021/jm401602p BindingDB Entry DOI: 10.7270/Q2JW8GDR
					More data for this Ligand-Target Pair