Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'gelmi' and Initial = 'ml'   

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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT receptor in human platelet membrane				Bioorg Med Chem 15: 7581-9 (2007) Article DOI: 10.1016/j.bmc.2007.09.004 BindingDB Entry DOI: 10.7270/Q2MS3SHH
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM21395 (3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...) Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in rat cortex membrane				Bioorg Med Chem 15: 7581-9 (2007) Article DOI: 10.1016/j.bmc.2007.09.004 BindingDB Entry DOI: 10.7270/Q2MS3SHH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	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 KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane				Bioorg Med Chem 15: 7581-9 (2007) Article DOI: 10.1016/j.bmc.2007.09.004 BindingDB Entry DOI: 10.7270/Q2MS3SHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50223509 ((1R,2R,4S)-1-aminocyclopentane-1,2,4-tricarboxylic...) Show SMILES N[C@@]1(C[C@H](C[C@H]1C(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C8H11NO6/c9-8(7(14)15)2-3(5(10)11)1-4(8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4-,8+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT receptor in human platelet membrane				Bioorg Med Chem 15: 7581-9 (2007) Article DOI: 10.1016/j.bmc.2007.09.004 BindingDB Entry DOI: 10.7270/Q2MS3SHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50223511 ((1R,2S,4R)-1-aminocyclopentane-1,2,4-tricarboxylic...) Show SMILES N[C@@]1(C[C@@H](C[C@@H]1C(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C8H11NO6/c9-8(7(14)15)2-3(5(10)11)1-4(8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4-,8-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT receptor in human platelet membrane				Bioorg Med Chem 15: 7581-9 (2007) Article DOI: 10.1016/j.bmc.2007.09.004 BindingDB Entry DOI: 10.7270/Q2MS3SHH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50223510 ((1S,2S,4R)-1-aminocyclopentane-1,2,4-tricarboxylic...) Show SMILES N[C@]1(C[C@@H](C[C@@H]1C(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C8H11NO6/c9-8(7(14)15)2-3(5(10)11)1-4(8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4-,8+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane				Bioorg Med Chem 15: 7581-9 (2007) Article DOI: 10.1016/j.bmc.2007.09.004 BindingDB Entry DOI: 10.7270/Q2MS3SHH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50223509 ((1R,2R,4S)-1-aminocyclopentane-1,2,4-tricarboxylic...) Show SMILES N[C@@]1(C[C@H](C[C@H]1C(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C8H11NO6/c9-8(7(14)15)2-3(5(10)11)1-4(8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4-,8+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane				Bioorg Med Chem 15: 7581-9 (2007) Article DOI: 10.1016/j.bmc.2007.09.004 BindingDB Entry DOI: 10.7270/Q2MS3SHH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50223511 ((1R,2S,4R)-1-aminocyclopentane-1,2,4-tricarboxylic...) Show SMILES N[C@@]1(C[C@@H](C[C@@H]1C(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C8H11NO6/c9-8(7(14)15)2-3(5(10)11)1-4(8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4-,8-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane				Bioorg Med Chem 15: 7581-9 (2007) Article DOI: 10.1016/j.bmc.2007.09.004 BindingDB Entry DOI: 10.7270/Q2MS3SHH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50223508 ((1S,2R,4S)-1-aminocyclopentane-1,2,4-tricarboxylic...) Show SMILES N[C@]1(C[C@H](C[C@H]1C(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C8H11NO6/c9-8(7(14)15)2-3(5(10)11)1-4(8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4-,8-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in rat cortex membrane				Bioorg Med Chem 15: 7581-9 (2007) Article DOI: 10.1016/j.bmc.2007.09.004 BindingDB Entry DOI: 10.7270/Q2MS3SHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50223510 ((1S,2S,4R)-1-aminocyclopentane-1,2,4-tricarboxylic...) Show SMILES N[C@]1(C[C@@H](C[C@@H]1C(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C8H11NO6/c9-8(7(14)15)2-3(5(10)11)1-4(8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4-,8+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT receptor in human platelet membrane				Bioorg Med Chem 15: 7581-9 (2007) Article DOI: 10.1016/j.bmc.2007.09.004 BindingDB Entry DOI: 10.7270/Q2MS3SHH
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50223508 ((1S,2R,4S)-1-aminocyclopentane-1,2,4-tricarboxylic...) Show SMILES N[C@]1(C[C@H](C[C@H]1C(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C8H11NO6/c9-8(7(14)15)2-3(5(10)11)1-4(8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4-,8-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from SERT receptor in human platelet membrane				Bioorg Med Chem 15: 7581-9 (2007) Article DOI: 10.1016/j.bmc.2007.09.004 BindingDB Entry DOI: 10.7270/Q2MS3SHH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50223509 ((1R,2R,4S)-1-aminocyclopentane-1,2,4-tricarboxylic...) Show SMILES N[C@@]1(C[C@H](C[C@H]1C(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C8H11NO6/c9-8(7(14)15)2-3(5(10)11)1-4(8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4-,8+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in rat cortex membrane				Bioorg Med Chem 15: 7581-9 (2007) Article DOI: 10.1016/j.bmc.2007.09.004 BindingDB Entry DOI: 10.7270/Q2MS3SHH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50223508 ((1S,2R,4S)-1-aminocyclopentane-1,2,4-tricarboxylic...) Show SMILES N[C@]1(C[C@H](C[C@H]1C(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C8H11NO6/c9-8(7(14)15)2-3(5(10)11)1-4(8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4-,8-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cortex membrane				Bioorg Med Chem 15: 7581-9 (2007) Article DOI: 10.1016/j.bmc.2007.09.004 BindingDB Entry DOI: 10.7270/Q2MS3SHH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50223510 ((1S,2S,4R)-1-aminocyclopentane-1,2,4-tricarboxylic...) Show SMILES N[C@]1(C[C@@H](C[C@@H]1C(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C8H11NO6/c9-8(7(14)15)2-3(5(10)11)1-4(8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4-,8+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in rat cortex membrane				Bioorg Med Chem 15: 7581-9 (2007) Article DOI: 10.1016/j.bmc.2007.09.004 BindingDB Entry DOI: 10.7270/Q2MS3SHH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50223511 ((1R,2S,4R)-1-aminocyclopentane-1,2,4-tricarboxylic...) Show SMILES N[C@@]1(C[C@@H](C[C@@H]1C(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C8H11NO6/c9-8(7(14)15)2-3(5(10)11)1-4(8)6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4-,8-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Milano Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in rat cortex membrane				Bioorg Med Chem 15: 7581-9 (2007) Article DOI: 10.1016/j.bmc.2007.09.004 BindingDB Entry DOI: 10.7270/Q2MS3SHH
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50438564 (CHEMBL2413152) Show SMILES CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(C[C@H](O)c3ccccc23)CC1 |r| Show InChI InChI=1S/C28H34N4O3/c1-27(2,29)26(35)31-23(15-18-17-30-22-10-6-4-7-19(18)22)25(34)32-13-11-28(12-14-32)16-24(33)20-8-3-5-9-21(20)28/h3-10,17,23-24,30,33H,11-16,29H2,1-2H3,(H,31,35)/t23-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Agonist activity at GHS-R1a (unknown origin)				Bioorg Med Chem 21: 5470-9 (2013) Article DOI: 10.1016/j.bmc.2013.06.006 BindingDB Entry DOI: 10.7270/Q2VQ3446
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50094064 (CHEMBL335799 | GSS(heptyl carbonyl)F-NH2) Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C25H39N5O7/c1-2-3-4-5-9-12-22(33)37-16-20(30-24(35)19(15-31)28-21(32)14-26)25(36)29-18(23(27)34)13-17-10-7-6-8-11-17/h6-8,10-11,18-20,31H,2-5,9,12-16,26H2,1H3,(H2,27,34)(H,28,32)(H,29,36)(H,30,35)/t18-,19-,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	72	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Agonist activity at GHS-R1a (unknown origin)				Bioorg Med Chem 21: 5470-9 (2013) Article DOI: 10.1016/j.bmc.2013.06.006 BindingDB Entry DOI: 10.7270/Q2VQ3446
					More data for this Ligand-Target Pair