Compile Data Set for Download or QSAR

Found 222 hits with Last Name = 'lenti' and Initial = 'g'   

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
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.331	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.617	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50416708 (CHEMBL1223130) Show SMILES COc1cccc(O[C@@H](C)CNC(=O)C2CC2)c1 |r| Show InChI InChI=1S/C14H19NO3/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.724	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50416708 (CHEMBL1223130) Show SMILES COc1cccc(O[C@@H](C)CNC(=O)C2CC2)c1 |r| Show InChI InChI=1S/C14H19NO3/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.933	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50416690 (CHEMBL1223050) Show SMILES COc1cccc(O[C@@H](C)CNC(C)=O)c1 |r| Show InChI InChI=1S/C12H17NO3/c1-9(8-13-10(2)14)16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50416704 (CHEMBL1223195) Show SMILES CCCC(=O)NC[C@H](C)Oc1cccc(OC)c1 |r| Show InChI InChI=1S/C14H21NO3/c1-4-6-14(16)15-10-11(2)18-13-8-5-7-12(9-13)17-3/h5,7-9,11H,4,6,10H2,1-3H3,(H,15,16)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50416704 (CHEMBL1223195) Show SMILES CCCC(=O)NC[C@H](C)Oc1cccc(OC)c1 |r| Show InChI InChI=1S/C14H21NO3/c1-4-6-14(16)15-10-11(2)18-13-8-5-7-12(9-13)17-3/h5,7-9,11H,4,6,10H2,1-3H3,(H,15,16)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.09	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50416690 (CHEMBL1223050) Show SMILES COc1cccc(O[C@@H](C)CNC(C)=O)c1 |r| Show InChI InChI=1S/C12H17NO3/c1-9(8-13-10(2)14)16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50416704 (CHEMBL1223195) Show SMILES CCCC(=O)NC[C@H](C)Oc1cccc(OC)c1 |r| Show InChI InChI=1S/C14H21NO3/c1-4-6-14(16)15-10-11(2)18-13-8-5-7-12(9-13)17-3/h5,7-9,11H,4,6,10H2,1-3H3,(H,15,16)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50416702 (CHEMBL1223198) Show SMILES CCCC(=O)NC[C@H](C)Sc1cccc(OC)c1 |r| Show InChI InChI=1S/C14H21NO2S/c1-4-6-14(16)15-10-11(2)18-13-8-5-7-12(9-13)17-3/h5,7-9,11H,4,6,10H2,1-3H3,(H,15,16)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50416704 (CHEMBL1223195) Show SMILES CCCC(=O)NC[C@H](C)Oc1cccc(OC)c1 |r| Show InChI InChI=1S/C14H21NO3/c1-4-6-14(16)15-10-11(2)18-13-8-5-7-12(9-13)17-3/h5,7-9,11H,4,6,10H2,1-3H3,(H,15,16)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50416708 (CHEMBL1223130) Show SMILES COc1cccc(O[C@@H](C)CNC(=O)C2CC2)c1 |r| Show InChI InChI=1S/C14H19NO3/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50416690 (CHEMBL1223050) Show SMILES COc1cccc(O[C@@H](C)CNC(C)=O)c1 |r| Show InChI InChI=1S/C12H17NO3/c1-9(8-13-10(2)14)16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50416702 (CHEMBL1223198) Show SMILES CCCC(=O)NC[C@H](C)Sc1cccc(OC)c1 |r| Show InChI InChI=1S/C14H21NO2S/c1-4-6-14(16)15-10-11(2)18-13-8-5-7-12(9-13)17-3/h5,7-9,11H,4,6,10H2,1-3H3,(H,15,16)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50416706 (CHEMBL1223192) Show SMILES COc1cccc(S[C@@H](C)CNC(=O)C2CC2)c1 |r| Show InChI InChI=1S/C14H19NO2S/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50416688 (CHEMBL1223053) Show SMILES COc1cccc(S[C@@H](C)CNC(C)=O)c1 |r| Show InChI InChI=1S/C12H17NO2S/c1-9(8-13-10(2)14)16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50416702 (CHEMBL1223198) Show SMILES CCCC(=O)NC[C@H](C)Sc1cccc(OC)c1 |r| Show InChI InChI=1S/C14H21NO2S/c1-4-6-14(16)15-10-11(2)18-13-8-5-7-12(9-13)17-3/h5,7-9,11H,4,6,10H2,1-3H3,(H,15,16)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.03	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50416706 (CHEMBL1223192) Show SMILES COc1cccc(S[C@@H](C)CNC(=O)C2CC2)c1 |r| Show InChI InChI=1S/C14H19NO2S/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50416688 (CHEMBL1223053) Show SMILES COc1cccc(S[C@@H](C)CNC(C)=O)c1 |r| Show InChI InChI=1S/C12H17NO2S/c1-9(8-13-10(2)14)16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.08	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50416709 (CHEMBL1223129) Show SMILES COc1cccc(O[C@H](C)CNC(=O)C2CC2)c1 |r| Show InChI InChI=1S/C14H19NO3/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Caspase-4 (Homo sapiens (Human))	BDBM50200547 (CHEMBL3949842) Show SMILES C(Cc1ccccc1)N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 Show InChI InChI=1S/C24H34N6/c1-2-8-21(9-3-1)10-15-27-16-18-29(19-17-27)23-20-22(28-11-4-5-12-28)25-24(26-23)30-13-6-7-14-30/h1-3,8-9,20H,4-7,10-19H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DTT-activated caspase-4 expressed in Escherichia coli using Ac-LEVD-AMC as substrate preincubat...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50416706 (CHEMBL1223192) Show SMILES COc1cccc(S[C@@H](C)CNC(=O)C2CC2)c1 |r| Show InChI InChI=1S/C14H19NO2S/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50416702 (CHEMBL1223198) Show SMILES CCCC(=O)NC[C@H](C)Sc1cccc(OC)c1 |r| Show InChI InChI=1S/C14H21NO2S/c1-4-6-14(16)15-10-11(2)18-13-8-5-7-12(9-13)17-3/h5,7-9,11H,4,6,10H2,1-3H3,(H,15,16)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50416690 (CHEMBL1223050) Show SMILES COc1cccc(O[C@@H](C)CNC(C)=O)c1 |r| Show InChI InChI=1S/C12H17NO3/c1-9(8-13-10(2)14)16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50416706 (CHEMBL1223192) Show SMILES COc1cccc(S[C@@H](C)CNC(=O)C2CC2)c1 |r| Show InChI InChI=1S/C14H19NO2S/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50416708 (CHEMBL1223130) Show SMILES COc1cccc(O[C@@H](C)CNC(=O)C2CC2)c1 |r| Show InChI InChI=1S/C14H19NO3/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Caspase-5 (Homo sapiens (Human))	BDBM50200547 (CHEMBL3949842) Show SMILES C(Cc1ccccc1)N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 Show InChI InChI=1S/C24H34N6/c1-2-8-21(9-3-1)10-15-27-16-18-29(19-17-27)23-20-22(28-11-4-5-12-28)25-24(26-23)30-13-6-7-14-30/h1-3,8-9,20H,4-7,10-19H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50200547 (CHEMBL3949842) Show SMILES C(Cc1ccccc1)N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 Show InChI InChI=1S/C24H34N6/c1-2-8-21(9-3-1)10-15-27-16-18-29(19-17-27)23-20-22(28-11-4-5-12-28)25-24(26-23)30-13-6-7-14-30/h1-3,8-9,20H,4-7,10-19H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DTT-activated caspase-1 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubat...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50416709 (CHEMBL1223129) Show SMILES COc1cccc(O[C@H](C)CNC(=O)C2CC2)c1 |r| Show InChI InChI=1S/C14H19NO3/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Caspase-5 (Homo sapiens (Human))	BDBM50200556 (CHEMBL3904435) Show SMILES [O-][N+](=O)c1ccccc1CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 Show InChI InChI=1S/C23H31N7O2/c31-30(32)20-8-2-1-7-19(20)18-26-13-15-28(16-14-26)22-17-21(27-9-3-4-10-27)24-23(25-22)29-11-5-6-12-29/h1-2,7-8,17H,3-6,9-16,18H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50416703 (CHEMBL1223197) Show SMILES CCCC(=O)NC[C@@H](C)Sc1cccc(OC)c1 |r| Show InChI InChI=1S/C14H21NO2S/c1-4-6-14(16)15-10-11(2)18-13-8-5-7-12(9-13)17-3/h5,7-9,11H,4,6,10H2,1-3H3,(H,15,16)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50200551 (CHEMBL3978901) Show SMILES C(C1CCCCC1)N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 Show InChI InChI=1S/C23H38N6/c1-2-8-20(9-3-1)19-26-14-16-28(17-15-26)22-18-21(27-10-4-5-11-27)24-23(25-22)29-12-6-7-13-29/h18,20H,1-17,19H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DTT-activated caspase-1 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubat...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Caspase-5 (Homo sapiens (Human))	BDBM50200544 (CHEMBL3970645) Show SMILES O=C(c1ccccc1)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 Show InChI InChI=1S/C30H36N6O/c37-29(25-8-2-1-3-9-25)26-12-10-24(11-13-26)23-33-18-20-35(21-19-33)28-22-27(34-14-4-5-15-34)31-30(32-28)36-16-6-7-17-36/h1-3,8-13,22H,4-7,14-21,23H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Caspase-5 (Homo sapiens (Human))	BDBM50200545 (CHEMBL3965572) Show SMILES C(N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)c1ccncc1 Show InChI InChI=1S/C22H31N7/c1-2-10-27(9-1)20-17-21(25-22(24-20)29-11-3-4-12-29)28-15-13-26(14-16-28)18-19-5-7-23-8-6-19/h5-8,17H,1-4,9-16,18H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Caspase-5 (Homo sapiens (Human))	BDBM50200543 (CHEMBL3941088) Show SMILES COc1cc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc(OC)c1 Show InChI InChI=1S/C25H36N6O2/c1-32-21-15-20(16-22(17-21)33-2)19-28-11-13-30(14-12-28)24-18-23(29-7-3-4-8-29)26-25(27-24)31-9-5-6-10-31/h15-18H,3-14,19H2,1-2H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50416711 (CHEMBL1223124) Show SMILES COc1cccc(SCCNC(C)=O)c1 Show InChI InChI=1S/C11H15NO2S/c1-9(13)12-6-7-15-11-5-3-4-10(8-11)14-2/h3-5,8H,6-7H2,1-2H3,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50416684 (CHEMBL396132) Show SMILES COc1cccc(OCCNC(C)=O)c1 Show InChI InChI=1S/C11H15NO3/c1-9(13)12-6-7-15-11-5-3-4-10(8-11)14-2/h3-5,8H,6-7H2,1-2H3,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Caspase-5 (Homo sapiens (Human))	BDBM50200549 (CHEMBL3932441) Show SMILES C(N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)c1ccccc1 Show InChI InChI=1S/C23H32N6/c1-2-8-20(9-3-1)19-26-14-16-28(17-15-26)22-18-21(27-10-4-5-11-27)24-23(25-22)29-12-6-7-13-29/h1-3,8-9,18H,4-7,10-17,19H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Caspase-5 (Homo sapiens (Human))	BDBM50200550 (CHEMBL3905486) Show SMILES C1CCN(C1)c1cc(nc(n1)N1CCCC1)N1CCNCC1 Show InChI InChI=1S/C16H26N6/c1-2-8-20(7-1)14-13-15(21-11-5-17-6-12-21)19-16(18-14)22-9-3-4-10-22/h13,17H,1-12H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Caspase-5 (Homo sapiens (Human))	BDBM50200552 (CHEMBL3898411) Show SMILES FC(F)(F)c1cc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C25H30F6N6/c26-24(27,28)19-13-18(14-20(15-19)25(29,30)31)17-34-9-11-36(12-10-34)22-16-21(35-5-1-2-6-35)32-23(33-22)37-7-3-4-8-37/h13-16H,1-12,17H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50200553 (CHEMBL3898379) Show SMILES CC1Oc2c(C)c(C)c(O)c(C)c2CC1CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 Show InChI InChI=1S/C30H44N6O2/c1-20-21(2)29-25(22(3)28(20)37)17-24(23(4)38-29)19-33-13-15-35(16-14-33)27-18-26(34-9-5-6-10-34)31-30(32-27)36-11-7-8-12-36/h18,23-24,37H,5-17,19H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DTT-activated caspase-1 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubat...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50416707 (CHEMBL1223191) Show SMILES COc1cccc(S[C@H](C)CNC(=O)C2CC2)c1 |r| Show InChI InChI=1S/C14H19NO2S/c1-10(9-15-14(16)11-6-7-11)18-13-5-3-4-12(8-13)17-2/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,15,16)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50416691 (CHEMBL1223049) Show SMILES COc1cccc(O[C@H](C)CNC(C)=O)c1 |r| Show InChI InChI=1S/C12H17NO3/c1-9(8-13-10(2)14)16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50200543 (CHEMBL3941088) Show SMILES COc1cc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc(OC)c1 Show InChI InChI=1S/C25H36N6O2/c1-32-21-15-20(16-22(17-21)33-2)19-28-11-13-30(14-12-28)24-18-23(29-7-3-4-8-29)26-25(27-24)31-9-5-6-10-31/h15-18H,3-14,19H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DTT-activated caspase-1 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubat...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM166683 (U74389G (B9)) Show SMILES C[C@]12CC=C3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 |r,c:3,12,t:8| Show InChI InChI=1S/C37H50N6O2/c1-36-13-11-27(44)23-26(36)7-8-28-29-9-10-31(37(29,2)14-12-30(28)36)32(45)25-40-19-21-42(22-20-40)34-24-33(41-15-3-4-16-41)38-35(39-34)43-17-5-6-18-43/h11-13,23-24,28-29,31H,3-10,14-22,25H2,1-2H3/t28-,29-,31+,36-,37-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant DTT-activated caspase-1 expressed in Escherichia coli using WEHD-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM166683 (U74389G (B9)) Show SMILES C[C@]12CC=C3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 |r,c:3,12,t:8| Show InChI InChI=1S/C37H50N6O2/c1-36-13-11-27(44)23-26(36)7-8-28-29-9-10-31(37(29,2)14-12-30(28)36)32(45)25-40-19-21-42(22-20-40)34-24-33(41-15-3-4-16-41)38-35(39-34)43-17-5-6-18-43/h11-13,23-24,28-29,31H,3-10,14-22,25H2,1-2H3/t28-,29-,31+,36-,37-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DTT-activated caspase-1 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubat...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50200553 (CHEMBL3898379) Show SMILES CC1Oc2c(C)c(C)c(O)c(C)c2CC1CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 Show InChI InChI=1S/C30H44N6O2/c1-20-21(2)29-25(22(3)28(20)37)17-24(23(4)38-29)19-33-13-15-35(16-14-33)27-18-26(34-9-5-6-10-34)31-30(32-27)36-11-7-8-12-36/h18,23-24,37H,5-17,19H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant DTT-activated caspase-1 expressed in Escherichia coli using WEHD-AMC as substrate after 30 mins by fluorescence assay				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50416711 (CHEMBL1223124) Show SMILES COc1cccc(SCCNC(C)=O)c1 Show InChI InChI=1S/C11H15NO2S/c1-9(13)12-6-7-15-11-5-3-4-10(8-11)14-2/h3-5,8H,6-7H2,1-2H3,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins				Bioorg Med Chem 18: 6496-511 (2010) Article DOI: 10.1016/j.bmc.2010.06.100 BindingDB Entry DOI: 10.7270/Q2W09757
					More data for this Ligand-Target Pair
Caspase-5 (Homo sapiens (Human))	BDBM50200551 (CHEMBL3978901) Show SMILES C(C1CCCCC1)N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 Show InChI InChI=1S/C23H38N6/c1-2-8-20(9-3-1)19-26-14-16-28(17-15-26)22-18-21(27-10-4-5-11-27)24-23(25-22)29-12-6-7-13-29/h18,20H,1-17,19H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant DTT-activated caspase-5 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubated for 30 mins followe...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50200544 (CHEMBL3970645) Show SMILES O=C(c1ccccc1)c1ccc(CN2CCN(CC2)c2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 Show InChI InChI=1S/C30H36N6O/c37-29(25-8-2-1-3-9-25)26-12-10-24(11-13-26)23-33-18-20-35(21-19-33)28-22-27(34-14-4-5-15-34)31-30(32-28)36-16-6-7-17-36/h1-3,8-13,22H,4-7,14-21,23H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DePaul University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged DTT-activated caspase-1 expressed in Escherichia coli using Ac-WEHD-AMC as substrate preincubat...				Bioorg Med Chem Lett 26: 5476-5480 (2016) Article DOI: 10.1016/j.bmcl.2016.10.025 BindingDB Entry DOI: 10.7270/Q2NZ89M0
					More data for this Ligand-Target Pair

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