Compile Data Set for Download or QSAR

Found 163 hits with Last Name = 'li' and Initial = 'ws'   

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))	BDBM50136402 (CHEMBL136531 | N-[(S)-1-(2,3-Dihydro-benzofuran-4-...) Show SMILES CCCC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C16H22N2O2/c1-2-4-16(19)17-12-7-9-18(11-12)14-5-3-6-15-13(14)8-10-20-15/h3,5-6,12H,2,4,7-11H2,1H3,(H,17,19)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50136400 (CHEMBL343825 | N-[(S)-1-(2,3-Dihydro-benzofuran-4-...) Show SMILES CCC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C15H20N2O2/c1-2-15(18)16-11-6-8-17(10-11)13-4-3-5-14-12(13)7-9-19-14/h3-5,11H,2,6-10H2,1H3,(H,16,18)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					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 PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136402 (CHEMBL136531 | N-[(S)-1-(2,3-Dihydro-benzofuran-4-...) Show SMILES CCCC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C16H22N2O2/c1-2-4-16(19)17-12-7-9-18(11-12)14-5-3-6-15-13(14)8-10-20-15/h3,5-6,12H,2,4,7-11H2,1H3,(H,17,19)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
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 PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136400 (CHEMBL343825 | N-[(S)-1-(2,3-Dihydro-benzofuran-4-...) Show SMILES CCC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C15H20N2O2/c1-2-15(18)16-11-6-8-17(10-11)13-4-3-5-14-12(13)7-9-19-14/h3-5,11H,2,6-10H2,1H3,(H,16,18)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136409 (1-[(R)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...) Show SMILES CCNC(=O)N[C@@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C15H21N3O2/c1-2-16-15(19)17-11-6-8-18(10-11)13-4-3-5-14-12(13)7-9-20-14/h3-5,11H,2,6-10H2,1H3,(H2,16,17,19)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50136409 (1-[(R)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...) Show SMILES CCNC(=O)N[C@@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C15H21N3O2/c1-2-16-15(19)17-11-6-8-18(10-11)13-4-3-5-14-12(13)7-9-20-14/h3-5,11H,2,6-10H2,1H3,(H2,16,17,19)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50136405 (1-[(S)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...) Show SMILES CNC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C14H19N3O2/c1-15-14(18)16-10-5-7-17(9-10)12-3-2-4-13-11(12)6-8-19-13/h2-4,10H,5-9H2,1H3,(H2,15,16,18)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136405 (1-[(S)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...) Show SMILES CNC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C14H19N3O2/c1-15-14(18)16-10-5-7-17(9-10)12-3-2-4-13-11(12)6-8-19-13/h2-4,10H,5-9H2,1H3,(H2,15,16,18)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136398 (CHEMBL336268 | N-[(S)-1-(2,3-Dihydro-benzofuran-4-...) Show SMILES CC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C14H18N2O2/c1-10(17)15-11-5-7-16(9-11)13-3-2-4-14-12(13)6-8-18-14/h2-4,11H,5-9H2,1H3,(H,15,17)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50136403 (CHEMBL139439 | Cyclopropanecarboxylic acid [(S)-1-...) Show SMILES O=C(N[C@H]1CCN(C1)c1cccc2OCCc12)C1CC1 Show InChI InChI=1S/C16H20N2O2/c19-16(11-4-5-11)17-12-6-8-18(10-12)14-2-1-3-15-13(14)7-9-20-15/h1-3,11-12H,4-10H2,(H,17,19)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50136398 (CHEMBL336268 | N-[(S)-1-(2,3-Dihydro-benzofuran-4-...) Show SMILES CC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C14H18N2O2/c1-10(17)15-11-5-7-16(9-11)13-3-2-4-14-12(13)6-8-18-14/h2-4,11H,5-9H2,1H3,(H,15,17)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136401 (1-[(S)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...) Show SMILES CCNC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C15H21N3O2/c1-2-16-15(19)17-11-6-8-18(10-11)13-4-3-5-14-12(13)7-9-20-14/h3-5,11H,2,6-10H2,1H3,(H2,16,17,19)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50136397 (1-[(R)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...) Show SMILES CNC(=O)N[C@@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C14H19N3O2/c1-15-14(18)16-10-5-7-17(9-10)12-3-2-4-13-11(12)6-8-19-13/h2-4,10H,5-9H2,1H3,(H2,15,16,18)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136407 (CHEMBL139497 | N-[(S)-1-(3-Methoxy-phenyl)-pyrroli...) Show SMILES CCCC(=O)N[C@H]1CCN(C1)c1cccc(OC)c1 Show InChI InChI=1S/C15H22N2O2/c1-3-5-15(18)16-12-8-9-17(11-12)13-6-4-7-14(10-13)19-2/h4,6-7,10,12H,3,5,8-9,11H2,1-2H3,(H,16,18)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136412 (1-[(R)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...) Show SMILES CCCNC(=O)N[C@@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C16H23N3O2/c1-2-8-17-16(20)18-12-6-9-19(11-12)14-4-3-5-15-13(14)7-10-21-15/h3-5,12H,2,6-11H2,1H3,(H2,17,18,20)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136403 (CHEMBL139439 | Cyclopropanecarboxylic acid [(S)-1-...) Show SMILES O=C(N[C@H]1CCN(C1)c1cccc2OCCc12)C1CC1 Show InChI InChI=1S/C16H20N2O2/c19-16(11-4-5-11)17-12-6-8-18(10-12)14-2-1-3-15-13(14)7-9-20-15/h1-3,11-12H,4-10H2,(H,17,19)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50136407 (CHEMBL139497 | N-[(S)-1-(3-Methoxy-phenyl)-pyrroli...) Show SMILES CCCC(=O)N[C@H]1CCN(C1)c1cccc(OC)c1 Show InChI InChI=1S/C15H22N2O2/c1-3-5-15(18)16-12-8-9-17(11-12)13-6-4-7-14(10-13)19-2/h4,6-7,10,12H,3,5,8-9,11H2,1-2H3,(H,16,18)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50136394 (CHEMBL138228 | Cyclopropanecarboxylic acid [(R)-1-...) Show SMILES O=C(N[C@@H]1CCN(C1)c1cccc2OCCc12)C1CC1 Show InChI InChI=1S/C16H20N2O2/c19-16(11-4-5-11)17-12-6-8-18(10-12)14-2-1-3-15-13(14)7-9-20-15/h1-3,11-12H,4-10H2,(H,17,19)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50136412 (1-[(R)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...) Show SMILES CCCNC(=O)N[C@@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C16H23N3O2/c1-2-8-17-16(20)18-12-6-9-19(11-12)14-4-3-5-15-13(14)7-10-21-15/h3-5,12H,2,6-11H2,1H3,(H2,17,18,20)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136397 (1-[(R)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...) Show SMILES CNC(=O)N[C@@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C14H19N3O2/c1-15-14(18)16-10-5-7-17(9-10)12-3-2-4-13-11(12)6-8-19-13/h2-4,10H,5-9H2,1H3,(H2,15,16,18)/t10-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136404 (1-[(S)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...) Show SMILES CCCNC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C16H23N3O2/c1-2-8-17-16(20)18-12-6-9-19(11-12)14-4-3-5-15-13(14)7-10-21-15/h3-5,12H,2,6-11H2,1H3,(H2,17,18,20)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50136406 (CHEMBL138744 | N-[(S)-1-(2,3-Dihydro-benzofuran-4-...) Show SMILES CC(C)C(=O)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C16H22N2O2/c1-11(2)16(19)17-12-6-8-18(10-12)14-4-3-5-15-13(14)7-9-20-15/h3-5,11-12H,6-10H2,1-2H3,(H,17,19)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136406 (CHEMBL138744 | N-[(S)-1-(2,3-Dihydro-benzofuran-4-...) Show SMILES CC(C)C(=O)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C16H22N2O2/c1-11(2)16(19)17-12-6-8-18(10-12)14-4-3-5-15-13(14)7-9-20-15/h3-5,11-12H,6-10H2,1-2H3,(H,17,19)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50136410 (1-Cyclopropyl-3-[(R)-1-(2,3-dihydro-benzofuran-4-y...) Show SMILES O=C(NC1CC1)N[C@@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C16H21N3O2/c20-16(17-11-4-5-11)18-12-6-8-19(10-12)14-2-1-3-15-13(14)7-9-21-15/h1-3,11-12H,4-10H2,(H2,17,18,20)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50136401 (1-[(S)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...) Show SMILES CCNC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C15H21N3O2/c1-2-16-15(19)17-11-6-8-18(10-11)13-4-3-5-14-12(13)7-9-20-14/h3-5,11H,2,6-10H2,1H3,(H2,16,17,19)/t11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136410 (1-Cyclopropyl-3-[(R)-1-(2,3-dihydro-benzofuran-4-y...) Show SMILES O=C(NC1CC1)N[C@@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C16H21N3O2/c20-16(17-11-4-5-11)18-12-6-8-19(10-12)14-2-1-3-15-13(14)7-9-21-15/h1-3,11-12H,4-10H2,(H2,17,18,20)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50136404 (1-[(S)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...) Show SMILES CCCNC(=O)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C16H23N3O2/c1-2-8-17-16(20)18-12-6-9-19(11-12)14-4-3-5-15-13(14)7-10-21-15/h3-5,12H,2,6-11H2,1H3,(H2,17,18,20)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136411 (1-Cyclopropyl-3-[(S)-1-(2,3-dihydro-benzofuran-4-y...) Show SMILES O=C(NC1CC1)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C16H21N3O2/c20-16(17-11-4-5-11)18-12-6-8-19(10-12)14-2-1-3-15-13(14)7-9-21-15/h1-3,11-12H,4-10H2,(H2,17,18,20)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50136411 (1-Cyclopropyl-3-[(S)-1-(2,3-dihydro-benzofuran-4-y...) Show SMILES O=C(NC1CC1)N[C@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C16H21N3O2/c20-16(17-11-4-5-11)18-12-6-8-19(10-12)14-2-1-3-15-13(14)7-9-21-15/h1-3,11-12H,4-10H2,(H2,17,18,20)/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136396 (CHEMBL341705 | N-[(R)-1-(2,3-Dihydro-benzofuran-4-...) Show SMILES CCCC(=O)N[C@@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C16H22N2O2/c1-2-4-16(19)17-12-7-9-18(11-12)14-5-3-6-15-13(14)8-10-20-15/h3,5-6,12H,2,4,7-11H2,1H3,(H,17,19)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343634 (4-((E)-4-((S)-1-((1R,2S,5S)-2-((S)-5-amino-1-(benz...) Show SMILES CCCC[C@H](NC(=O)\C=C(/C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C34H44N5O9P/c1-3-4-10-28(37-30(41)17-21(2)23-11-13-25(14-12-23)48-49(45,46)47)34(44)39-20-24-18-26(24)31(39)33(43)38-27(15-16-29(35)40)32(42)36-19-22-8-6-5-7-9-22/h5-9,11-14,17,24,26-28,31H,3-4,10,15-16,18-20H2,1-2H3,(H2,35,40)(H,36,42)(H,37,41)(H,38,43)(H2,45,46,47)/b21-17+/t24-,26-,27+,28+,31+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136394 (CHEMBL138228 | Cyclopropanecarboxylic acid [(R)-1-...) Show SMILES O=C(N[C@@H]1CCN(C1)c1cccc2OCCc12)C1CC1 Show InChI InChI=1S/C16H20N2O2/c19-16(11-4-5-11)17-12-6-8-18(10-12)14-2-1-3-15-13(14)7-9-20-15/h1-3,11-12H,4-10H2,(H,17,19)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136399 (CHEMBL138848 | N-[(R)-1-(2,3-Dihydro-benzofuran-4-...) Show SMILES CCC(=O)N[C@@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C15H20N2O2/c1-2-15(18)16-11-6-8-17(10-11)13-4-3-5-14-12(13)7-9-19-14/h3-5,11H,2,6-10H2,1H3,(H,16,18)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343641 (CHEMBL1774964 | cis-4-((E)-4-((S)-4-methyl-1-oxo-1...) Show SMILES CC(C)C[C@H](NC(=O)C=C(C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)NCCNC(N)=O |r,w:8.7| Show InChI InChI=1S/C25H36N5O8P/c1-14(2)10-20(29-21(31)11-15(3)16-4-6-18(7-5-16)38-39(35,36)37)24(33)30-13-17-12-19(17)22(30)23(32)27-8-9-28-25(26)34/h4-7,11,14,17,19-20,22H,8-10,12-13H2,1-3H3,(H,27,32)(H,29,31)(H3,26,28,34)(H2,35,36,37)/t17-,19-,20+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343632 (4-((E)-4-((S)-1-((1R,2S,5S)-2-((S)-5-amino-1-(benz...) Show SMILES CC(C)C[C@H](NC(=O)\C=C(/C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C34H44N5O9P/c1-20(2)15-28(37-30(41)16-21(3)23-9-11-25(12-10-23)48-49(45,46)47)34(44)39-19-24-17-26(24)31(39)33(43)38-27(13-14-29(35)40)32(42)36-18-22-7-5-4-6-8-22/h4-12,16,20,24,26-28,31H,13-15,17-19H2,1-3H3,(H2,35,40)(H,36,42)(H,37,41)(H,38,43)(H2,45,46,47)/b21-16+/t24-,26-,27+,28+,31+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343644 (CHEMBL1774967 | cis-4-((E)-4-oxo-4-((S)-1-oxo-1-((...) Show SMILES CCCC[C@H](NC(=O)C=C(C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)NCCNC(N)=O |r,w:8.7| Show InChI InChI=1S/C25H36N5O8P/c1-3-4-5-20(29-21(31)12-15(2)16-6-8-18(9-7-16)38-39(35,36)37)24(33)30-14-17-13-19(17)22(30)23(32)27-10-11-28-25(26)34/h6-9,12,17,19-20,22H,3-5,10-11,13-14H2,1-2H3,(H,27,32)(H,29,31)(H3,26,28,34)(H2,35,36,37)/t17-,19-,20+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343633 (4-((E)-3-((S)-1-((1R,2S,5S)-2-((S)-5-amino-1-(benz...) Show SMILES CCCC[C@H](NC(=O)\C=C\c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C33H42N5O9P/c1-2-3-9-27(36-29(40)17-12-21-10-13-24(14-11-21)47-48(44,45)46)33(43)38-20-23-18-25(23)30(38)32(42)37-26(15-16-28(34)39)31(41)35-19-22-7-5-4-6-8-22/h4-8,10-14,17,23,25-27,30H,2-3,9,15-16,18-20H2,1H3,(H2,34,39)(H,35,41)(H,36,40)(H,37,42)(H2,44,45,46)/b17-12+/t23-,25-,26+,27+,30+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD 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
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50136399 (CHEMBL138848 | N-[(R)-1-(2,3-Dihydro-benzofuran-4-...) Show SMILES CCC(=O)N[C@@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C15H20N2O2/c1-2-15(18)16-11-6-8-17(10-11)13-4-3-5-14-12(13)7-9-19-14/h3-5,11H,2,6-10H2,1H3,(H,16,18)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343635 (4-((E)-4-((3S,6S)-6-((S)-5-amino-1-(benzylamino)-1...) Show SMILES C\C(=C/C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1)c1ccc(OP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C35H38N5O9P/c1-21(23-10-13-26(14-11-23)49-50(46,47)48)18-31(42)38-28-15-12-24-8-5-9-25-19-29(40(32(24)25)35(28)45)34(44)39-27(16-17-30(36)41)33(43)37-20-22-6-3-2-4-7-22/h2-11,13-14,18,27-29H,12,15-17,19-20H2,1H3,(H2,36,41)(H,37,43)(H,38,42)(H,39,44)(H2,46,47,48)/b21-18+/t27-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343642 (CHEMBL1774965 | cis-4-((E)-4-((S)-1-((1R,2S,5S)-2-...) Show SMILES CCCC[C@H](NC(=O)\C=C(/C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@H](C)CCC(N)=O |r| Show InChI InChI=1S/C27H39N4O8P/c1-4-5-6-22(30-24(33)13-16(2)18-8-10-20(11-9-18)39-40(36,37)38)27(35)31-15-19-14-21(19)25(31)26(34)29-17(3)7-12-23(28)32/h8-11,13,17,19,21-22,25H,4-7,12,14-15H2,1-3H3,(H2,28,32)(H,29,34)(H,30,33)(H2,36,37,38)/b16-13+/t17-,19-,21-,22+,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343631 (4-((E)-4-((S)-1-((S)-2-((S)-5-amino-1-(benzylamino...) Show SMILES CC(C)C[C@H](NC(=O)\C=C(/C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C33H44N5O9P/c1-21(2)18-27(36-30(40)19-22(3)24-11-13-25(14-12-24)47-48(44,45)46)33(43)38-17-7-10-28(38)32(42)37-26(15-16-29(34)39)31(41)35-20-23-8-5-4-6-9-23/h4-6,8-9,11-14,19,21,26-28H,7,10,15-18,20H2,1-3H3,(H2,34,39)(H,35,41)(H,36,40)(H,37,42)(H2,44,45,46)/b22-19+/t26-,27-,28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50136396 (CHEMBL341705 | N-[(R)-1-(2,3-Dihydro-benzofuran-4-...) Show SMILES CCCC(=O)N[C@@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C16H22N2O2/c1-2-4-16(19)17-12-7-9-18(11-12)14-5-3-6-15-13(14)8-10-20-15/h3,5-6,12H,2,4,7-11H2,1H3,(H,17,19)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343639 (CHEMBL1774962 | cis-4-((E)-4-((S)-1-((1R,2S,5S)-2-...) Show SMILES CC(C)C[C@H](NC(=O)\C=C(/C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@H](C)CCC(N)=O |r| Show InChI InChI=1S/C27H39N4O8P/c1-15(2)11-22(30-24(33)12-16(3)18-6-8-20(9-7-18)39-40(36,37)38)27(35)31-14-19-13-21(19)25(31)26(34)29-17(4)5-10-23(28)32/h6-9,12,15,17,19,21-22,25H,5,10-11,13-14H2,1-4H3,(H2,28,32)(H,29,34)(H,30,33)(H2,36,37,38)/b16-12+/t17-,19-,21-,22+,25+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136408 (CHEMBL336024 | N-[(R)-1-(2,3-Dihydro-benzofuran-4-...) Show SMILES CC(C)C(=O)N[C@@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C16H22N2O2/c1-11(2)16(19)17-12-6-8-18(10-12)14-4-3-5-15-13(14)7-9-20-15/h3-5,11-12H,6-10H2,1-2H3,(H,17,19)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343638 (4-((E)-4-((S)-4-methyl-1-oxo-1-((S)-2-(2-ureidoeth...) Show SMILES CC(C)C[C@H](NC(=O)C=C(C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)NCCNC(N)=O |r,w:8.7| Show InChI InChI=1S/C24H36N5O8P/c1-15(2)13-19(23(32)29-12-4-5-20(29)22(31)26-10-11-27-24(25)33)28-21(30)14-16(3)17-6-8-18(9-7-17)37-38(34,35)36/h6-9,14-15,19-20H,4-5,10-13H2,1-3H3,(H,26,31)(H,28,30)(H3,25,27,33)(H2,34,35,36)/t19-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343645 (4-((E)-4-((3S,6S)-6-((R)-5-amino-5-oxopentan-2-ylc...) Show SMILES C[C@H](CCC(N)=O)NC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)\C=C(/C)c4ccc(OP(O)(O)=O)cc4)C(=O)N1c23 |r| Show InChI InChI=1S/C28H33N4O8P/c1-16(18-7-10-21(11-8-18)40-41(37,38)39)14-25(34)31-22-12-9-19-4-3-5-20-15-23(32(26(19)20)28(22)36)27(35)30-17(2)6-13-24(29)33/h3-5,7-8,10-11,14,17,22-23H,6,9,12-13,15H2,1-2H3,(H2,29,33)(H,30,35)(H,31,34)(H2,37,38,39)/b16-14+/t17-,22+,23+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50343643 (CHEMBL1774966 | cis-2-((1R,2S,5S)-3-((S)-2-((E)-3-...) Show SMILES CCCC[C@H](NC(=O)C=C(C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)NCCOC(N)=O |r,w:8.7| Show InChI InChI=1S/C25H35N4O9P/c1-3-4-5-20(28-21(30)12-15(2)16-6-8-18(9-7-16)38-39(34,35)36)24(32)29-14-17-13-19(17)22(29)23(31)27-10-11-37-25(26)33/h6-9,12,17,19-20,22H,3-5,10-11,13-14H2,1-2H3,(H2,26,33)(H,27,31)(H,28,30)(H2,34,35,36)/t17-,19-,20+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas M. D. Anderson Cancer Center Curated by ChEMBL					Assay Description Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay				J Med Chem 54: 3549-63 (2011) Article DOI: 10.1021/jm2000882 BindingDB Entry DOI: 10.7270/Q2G44QMM
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50136395 (CHEMBL136273 | N-[(R)-1-(2,3-Dihydro-benzofuran-4-...) Show SMILES CC(=O)N[C@@H]1CCN(C1)c1cccc2OCCc12 Show InChI InChI=1S/C14H18N2O2/c1-10(17)15-11-5-7-16(9-11)13-3-2-4-14-12(13)6-8-18-14/h2-4,11H,5-9H2,1H3,(H,15,17)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	121	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 13: 4381-4 (2003) BindingDB Entry DOI: 10.7270/Q2X066FK
					More data for this Ligand-Target Pair

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