Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'bolaños' and Initial = 'f'   

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))	BDBM86708 (CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM U.288 Curated by PDSP Ki Database									Neuropsychopharmacology 3: 349-60 (1990) BindingDB Entry DOI: 10.7270/Q2N29VFS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM82368 (CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...) Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1 Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM U.288 Curated by PDSP Ki Database									Neuropsychopharmacology 3: 349-60 (1990) BindingDB Entry DOI: 10.7270/Q2N29VFS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM81789 (5-CT,DP | CAS_156314 | DP-5-CT | NN-DIPROP-5-CT | ...) Show SMILES CCCN(CCC)CCc1c[nH]c2ccc(cc12)C(N)=O Show InChI InChI=1S/C17H25N3O/c1-3-8-20(9-4-2)10-7-14-12-19-16-6-5-13(17(18)21)11-15(14)16/h5-6,11-12,19H,3-4,7-10H2,1-2H3,(H2,18,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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
INSERM U.288 Curated by PDSP Ki Database									Neuropsychopharmacology 3: 349-60 (1990) BindingDB Entry DOI: 10.7270/Q2N29VFS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM21392 (3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...) Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM U.288 Curated by PDSP Ki Database									Neuropsychopharmacology 3: 349-60 (1990) BindingDB Entry DOI: 10.7270/Q2N29VFS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50035508 (4-Iodo-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-...) Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(I)cc2)c2ccccn2)CC1 Show InChI InChI=1S/C25H27IN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-13H,14-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM U.288 Curated by PDSP Ki Database									Neuropsychopharmacology 3: 349-60 (1990) BindingDB Entry DOI: 10.7270/Q2N29VFS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50033112 (6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyla...) Show SMILES COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1 Show InChI InChI=1S/C21H31N5O3/c1-16-19(23(2)21(28)24(3)20(16)27)22-10-7-11-25-12-14-26(15-13-25)17-8-5-6-9-18(17)29-4/h5-6,8-9,22H,7,10-15H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM U.288 Curated by PDSP Ki Database									Neuropsychopharmacology 3: 349-60 (1990) BindingDB Entry DOI: 10.7270/Q2N29VFS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM82367 (CAS_141533-35-9 | SDZ 216,525 | SDZ 216-525) Show SMILES COC(=O)c1cc2c(cccc2[nH]1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 Show InChI InChI=1S/C25H28N4O5S/c1-34-25(31)21-17-19-20(26-21)8-6-9-22(19)28-15-13-27(14-16-28)11-4-5-12-29-24(30)18-7-2-3-10-23(18)35(29,32)33/h2-3,6-10,17,26H,4-5,11-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM U.288 Curated by PDSP Ki Database									Neuropsychopharmacology 3: 349-60 (1990) BindingDB Entry DOI: 10.7270/Q2N29VFS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM82366 (5-OME-3-ADTN) Show SMILES COc1c(O)c(O)cc2CCC(N)Cc12 Show InChI InChI=1S/C11H15NO3/c1-15-11-8-5-7(12)3-2-6(8)4-9(13)10(11)14/h4,7,13-14H,2-3,5,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM U.288 Curated by PDSP Ki Database									Neuropsychopharmacology 3: 349-60 (1990) BindingDB Entry DOI: 10.7270/Q2N29VFS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM21393 (7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...) Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1 Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM U.288 Curated by PDSP Ki Database									Neuropsychopharmacology 3: 349-60 (1990) BindingDB Entry DOI: 10.7270/Q2N29VFS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM82363 (CAS_90494-79-4 | SR 57746 A | SR 57746A) Show SMILES FC(F)(F)c1cccc(c1)C1=CCN(CCc2ccc3ccccc3c2)CC1 |t:11| Show InChI InChI=1S/C24H22F3N/c25-24(26,27)23-7-3-6-22(17-23)20-11-14-28(15-12-20)13-10-18-8-9-19-4-1-2-5-21(19)16-18/h1-9,11,16-17H,10,12-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM U.288 Curated by PDSP Ki Database									Neuropsychopharmacology 3: 349-60 (1990) BindingDB Entry DOI: 10.7270/Q2N29VFS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50044418 (4-Fluoro-N-{2-[4-(2-hydroxymethyl-2,3-dihydro-benz...) Show SMILES OCC1COc2c(O1)cccc2N1CCN(CCNC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H26FN3O4/c23-17-6-4-16(5-7-17)22(28)24-8-9-25-10-12-26(13-11-25)19-2-1-3-20-21(19)29-15-18(14-27)30-20/h1-7,18,27H,8-15H2,(H,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM U.288 Curated by PDSP Ki Database									Neuropsychopharmacology 3: 349-60 (1990) BindingDB Entry DOI: 10.7270/Q2N29VFS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM82364 (CAS_38363-40-5 | NSC_37464 | PENBUTOLOL(-)) Show SMILES CC(C)(C)NCC(O)COc1ccccc1C1CCCC1 Show InChI InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM U.288 Curated by PDSP Ki Database									Neuropsychopharmacology 3: 349-60 (1990) BindingDB Entry DOI: 10.7270/Q2N29VFS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50005127 (1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...) Show SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM U.288 Curated by PDSP Ki Database									Neuropsychopharmacology 3: 349-60 (1990) BindingDB Entry DOI: 10.7270/Q2N29VFS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50280934 (1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...) Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12 Show InChI InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM U.288 Curated by PDSP Ki Database									Neuropsychopharmacology 3: 349-60 (1990) BindingDB Entry DOI: 10.7270/Q2N29VFS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50019443 (1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...) Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12 Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM U.288 Curated by PDSP Ki Database									Neuropsychopharmacology 3: 349-60 (1990) BindingDB Entry DOI: 10.7270/Q2N29VFS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM82369 (CAS_133025-23-7 | WAY 100,135 | WAY 100135) Show SMILES COc1ccccc1N1CCN(C[C@@H](C(=O)NC(C)(C)C)c2ccccc2)CC1 |r| Show InChI InChI=1S/C24H33N3O2/c1-24(2,3)25-23(28)20(19-10-6-5-7-11-19)18-26-14-16-27(17-15-26)21-12-8-9-13-22(21)29-4/h5-13,20H,14-18H2,1-4H3,(H,25,28)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM U.288 Curated by PDSP Ki Database									Neuropsychopharmacology 3: 349-60 (1990) BindingDB Entry DOI: 10.7270/Q2N29VFS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50001859 ((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...) Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG 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
INSERM U.288 Curated by PDSP Ki Database									Neuropsychopharmacology 3: 349-60 (1990) BindingDB Entry DOI: 10.7270/Q2N29VFS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM82365 (CAS_132449-46-8 | LESOPITRON | NSC_60813) Show SMILES Clc1cnn(CCCCN2CCN(CC2)c2ncccn2)c1 Show InChI InChI=1S/C15H21ClN6/c16-14-12-19-22(13-14)7-2-1-6-20-8-10-21(11-9-20)15-17-4-3-5-18-15/h3-5,12-13H,1-2,6-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Patents	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM U.288 Curated by PDSP Ki Database									Neuropsychopharmacology 3: 349-60 (1990) BindingDB Entry DOI: 10.7270/Q2N29VFS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM25761 (Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...) Show SMILES CC(C)NCC(O)COc1cccc2ccccc12 Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM U.288 Curated by PDSP Ki Database									Neuropsychopharmacology 3: 349-60 (1990) BindingDB Entry DOI: 10.7270/Q2N29VFS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM U.288 Curated by PDSP Ki Database									Neuropsychopharmacology 3: 349-60 (1990) BindingDB Entry DOI: 10.7270/Q2N29VFS
					More data for this Ligand-Target Pair