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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'HTR1A' AND taxid = 9986   
Target
(Institution)
LigandTarget
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
pHTemp
°C
HTR1A


(RABBIT)
BDBM50020192
PNG
(8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phen...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26)
UniProtKB/TrEMBL

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2.40n/an/an/an/an/an/an/an/a



University of Montana

Curated by PDSP Ki Database




Comp Biochem Physiol C, Pharmacol Toxicol Endocrinol 117: 19-24 (1997)

More data for this
Ligand-Target Pair
HTR1A


(RABBIT)
BDBM81444
PNG
(CAS_185453 | NSC_185453 | WB 4101)
Show SMILES COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccccc1
Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3
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3n/an/an/an/an/an/an/an/a



University of Montana

Curated by PDSP Ki Database




Comp Biochem Physiol C, Pharmacol Toxicol Endocrinol 117: 19-24 (1997)

More data for this
Ligand-Target Pair
HTR1A


(RABBIT)
BDBM25761
PNG
(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
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PubMed
78n/an/an/an/an/an/an/an/a



University of Montana

Curated by PDSP Ki Database




Comp Biochem Physiol C, Pharmacol Toxicol Endocrinol 117: 19-24 (1997)

More data for this
Ligand-Target Pair
HTR1A


(RABBIT)
BDBM50007406
PNG
(1-(3-(trifluoromethyl)phenyl)piperazine | 1-(3-Tri...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
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PubMed
130n/an/an/an/an/an/an/an/a



University of Montana

Curated by PDSP Ki Database




Comp Biochem Physiol C, Pharmacol Toxicol Endocrinol 117: 19-24 (1997)

More data for this
Ligand-Target Pair
HTR1A


(RABBIT)
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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810n/an/an/an/an/an/an/an/a



University of Montana

Curated by PDSP Ki Database




Comp Biochem Physiol C, Pharmacol Toxicol Endocrinol 117: 19-24 (1997)

More data for this
Ligand-Target Pair
HTR1A


(RABBIT)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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PubMed
7.80E+3n/an/an/an/an/an/an/an/a



University of Montana

Curated by PDSP Ki Database




Comp Biochem Physiol C, Pharmacol Toxicol Endocrinol 117: 19-24 (1997)

More data for this
Ligand-Target Pair
HTR1A


(RABBIT)
BDBM50194429
PNG
((-)-parthenolide | (1aR,7aS,10aS,10bS,Z)-1a,5-dime...)
Show SMILES C\C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
Show InChI InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12-,13-,15+/m0/s1
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Montana

Curated by PDSP Ki Database




Comp Biochem Physiol C, Pharmacol Toxicol Endocrinol 117: 19-24 (1997)

More data for this
Ligand-Target Pair