Compile Data Set for Download or QSAR

Found 1224 hits with Last Name = 'wang' and Initial = 'sy'   

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/1B (Homo sapiens (Human))	BDBM50471134 (CHEMBL64664) Show SMILES CCC(=O)NCCn1c(cc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C19H20N2O/c1-2-19(22)20-12-13-21-17-11-7-6-10-16(17)14-18(21)15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from melatonin receptor (unknown origin)				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50506044 (CHEMBL4531537) Show SMILES CCC(=O)NCCn1c(Br)cc2ccccc12 Show InChI InChI=1S/C13H15BrN2O/c1-2-13(17)15-7-8-16-11-6-4-3-5-10(11)9-12(16)14/h3-6,9H,2,7-8H2,1H3,(H,15,17)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from melatonin receptor (unknown origin)				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080882 (Benzamidrazone analogue | CHEMBL312244) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C(N)=NN)C(=O)N(C)C1CCCC1 |w:26.29| Show InChI InChI=1S/C27H33N5O4S/c1-32(22-5-3-4-6-22)27(33)25(15-18-7-9-19(10-8-18)26(28)30-29)31-37(34,35)24-14-12-20-16-23(36-2)13-11-21(20)17-24/h7-14,16-17,22,25,31H,3-6,15,29H2,1-2H3,(H2,28,30)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Inhibitory constant of the compound against human thrombin was determined in vitro.				Bioorg Med Chem Lett 9: 2483-6 (1999) BindingDB Entry DOI: 10.7270/Q2CC0ZW2
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080879 (Benzamidrazone analogue | CHEMBL82057) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2CCCCc2c1 |w:19.21| Show InChI InChI=1S/C26H35N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h10-15,17,22,24,30H,2-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Inhibitory constant of the compound against human thrombin was determined in vitro.				Bioorg Med Chem Lett 9: 2483-6 (1999) BindingDB Entry DOI: 10.7270/Q2CC0ZW2
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50506042 (CHEMBL4467954) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OCCc3ccccc3)cc12 Show InChI InChI=1S/C20H22N2O2/c1-15(23)21-11-9-17-14-22-20-8-7-18(13-19(17)20)24-12-10-16-5-3-2-4-6-16/h2-8,13-14,22H,9-12H2,1H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 1 hr by gamma counting method				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					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	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in COS7 cells incubated for 1.5 hrs by gamma counting method				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					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	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Binding affinity to MT2 receptor (unknown origin) assessed as inhibition constant				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50506042 (CHEMBL4467954) Show SMILES CC(=O)NCCc1c[nH]c2ccc(OCCc3ccccc3)cc12 Show InChI InChI=1S/C20H22N2O2/c1-15(23)21-11-9-17-14-22-20-8-7-18(13-19(17)20)24-12-10-16-5-3-2-4-6-16/h2-8,13-14,22H,9-12H2,1H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 1 hr by gamma counting method				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50043289 (CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...) Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Binding affinity to MT2 receptor (unknown origin) assessed as inhibition constant				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50086029 (CHEMBL10099 | N-[2-(10-Methoxy-5,6-dihydro-indolo[...) Show SMILES CCCC(=O)NCCc1c2-c3ccccc3CCn2c2ccc(OC)cc12 Show InChI InChI=1S/C23H26N2O2/c1-3-6-22(26)24-13-11-19-20-15-17(27-2)9-10-21(20)25-14-12-16-7-4-5-8-18(16)23(19)25/h4-5,7-10,15H,3,6,11-14H2,1-2H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in NIH3T3 cells membranes by radioligand binding assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080885 (Benzamidrazone analogue | CHEMBL79304) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1F)C(N)=NN)C(=O)N(C)C1CCCC1 |w:27.30| Show InChI InChI=1S/C27H32FN5O4S/c1-33(21-5-3-4-6-21)27(34)25(16-19-7-8-20(15-24(19)28)26(29)31-30)32-38(35,36)23-12-10-17-13-22(37-2)11-9-18(17)14-23/h7-15,21,25,32H,3-6,16,30H2,1-2H3,(H2,29,31)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Inhibitory constant of the compound against human thrombin was determined in vitro.				Bioorg Med Chem Lett 9: 2483-6 (1999) BindingDB Entry DOI: 10.7270/Q2CC0ZW2
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080883 (Benzamidrazone analogue | CHEMBL310664) Show SMILES CCCc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C(N)=NN)C(=O)N(C)C1CCCC1 |w:23.25| Show InChI InChI=1S/C25H35N5O3S/c1-3-6-18-11-15-22(16-12-18)34(32,33)29-23(25(31)30(2)21-7-4-5-8-21)17-19-9-13-20(14-10-19)24(26)28-27/h9-16,21,23,29H,3-8,17,27H2,1-2H3,(H2,26,28)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Inhibitory constant of the compound against human thrombin was determined in vitro				Bioorg Med Chem Lett 9: 2483-6 (1999) BindingDB Entry DOI: 10.7270/Q2CC0ZW2
					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 Article PubMed	0.204	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in NIH3T3 cells membranes incubated for 90 mins by Cheng-Prusoff equation an...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/1B (Homo sapiens (Human))	BDBM50506045 (CHEMBL4475742) Show SMILES CCC(=O)NCCn1c(cc2ccccc12)C(=O)OC Show InChI InChI=1S/C15H18N2O3/c1-3-14(18)16-8-9-17-12-7-5-4-6-11(12)10-13(17)15(19)20-2/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from melatonin receptor (unknown origin)				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM85066 (Luzindole,5-Methoxy) Show SMILES COc1ccc2[nH]c(Cc3ccccc3)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C20H22N2O2/c1-14(23)21-11-10-17-18-13-16(24-2)8-9-19(18)22-20(17)12-15-6-4-3-5-7-15/h3-9,13,22H,10-12H2,1-2H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in COS7 cells incubated for 1.5 hrs by gamma counting method				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					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	0.302	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in NIH3T3 cells membranes incubated for 90 mins by Cheng-Prusoff equation an...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					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	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in NIH3T3 cells membranes by radioligand binding assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Gallus gallus)	BDBM50472142 (CHEMBL142343) Show SMILES CCCC(=O)NCC1CCCc2c1c1cc(OC)ccc1n2C Show InChI InChI=1S/C19H26N2O2/c1-4-6-18(22)20-12-13-7-5-8-17-19(13)15-11-14(23-3)9-10-16(15)21(17)2/h9-11,13H,4-8,12H2,1-3H3,(H,20,22)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.378	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from chick brain melatonin receptor				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069294 ((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:19.21| Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 631-4 (1999) BindingDB Entry DOI: 10.7270/Q2CR5SHR
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069294 ((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:19.21| Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 1683-6 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N5D
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069294 ((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:19.21| Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Inhibitory constant of the compound against human thrombin was determined in vitro.				Bioorg Med Chem Lett 9: 2483-6 (1999) BindingDB Entry DOI: 10.7270/Q2CC0ZW2
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50085048 ((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(methyl-pyri...) Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1ccccn1 Show InChI InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to PPARgamma (unknown origin) by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2019.05.028 BindingDB Entry DOI: 10.7270/Q2930XSX
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 1 hr by gamma counting method				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070780 ((S)-3-(5-Carbamimidoyl-thiophen-2-yl)-N-cyclopenty...) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](Cc1ccc(s1)C(N)=N)C(=O)N(C)C1CCCC1 Show InChI InChI=1S/C25H30N4O4S2/c1-29(18-5-3-4-6-18)25(30)22(15-20-10-12-23(34-20)24(26)27)28-35(31,32)21-11-8-16-13-19(33-2)9-7-17(16)14-21/h7-14,18,22,28H,3-6,15H2,1-2H3,(H3,26,27)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 1683-6 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N5D
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080888 (Benzamidrazone analogue | CHEMBL84454) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1F)C(N)=NN)NS(=O)(=O)c1ccc2CCCCc2c1 |w:20.22| Show InChI InChI=1S/C26H34FN5O3S/c1-32(21-8-4-5-9-21)26(33)24(16-19-10-11-20(15-23(19)27)25(28)30-29)31-36(34,35)22-13-12-17-6-2-3-7-18(17)14-22/h10-15,21,24,31H,2-9,16,29H2,1H3,(H2,28,30)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Inhibitory constant of the compound against human thrombin was determined in vitro.				Bioorg Med Chem Lett 9: 2483-6 (1999) BindingDB Entry DOI: 10.7270/Q2CC0ZW2
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Gallus gallus)	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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from chick brain melatonin receptor				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070785 ((S)-3-(5-Carbamimidoyl-thiophen-2-yl)-N-cyclopenty...) Show SMILES CCCc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(s1)C(N)=N)C(=O)N(C)C1CCCC1 Show InChI InChI=1S/C23H32N4O3S2/c1-3-6-16-9-12-19(13-10-16)32(29,30)26-20(15-18-11-14-21(31-18)22(24)25)23(28)27(2)17-7-4-5-8-17/h9-14,17,20,26H,3-8,15H2,1-2H3,(H3,24,25)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 1683-6 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N5D
					More data for this Ligand-Target Pair
Melatonin receptor type 1A/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 KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from melatonin receptor (unknown origin)				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					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 Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in NIH3T3 cells membranes by radioligand binding assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080886 (Benzamidrazone analogue | CHEMBL313296) Show SMILES CCCc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(cc1F)C(N)=NN)C(=O)N(C)C1CCCC1 |w:24.26| Show InChI InChI=1S/C25H34FN5O3S/c1-3-6-17-9-13-21(14-10-17)35(33,34)30-23(25(32)31(2)20-7-4-5-8-20)16-18-11-12-19(15-22(18)26)24(27)29-28/h9-15,20,23,30H,3-8,16,28H2,1-2H3,(H2,27,29)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Inhibitory constant of the compound against human thrombin was determined in vitro.				Bioorg Med Chem Lett 9: 2483-6 (1999) BindingDB Entry DOI: 10.7270/Q2CC0ZW2
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM28661 (2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...) Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to PPARdelta (unknown origin) by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2019.05.028 BindingDB Entry DOI: 10.7270/Q2930XSX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50070782 ((S)-3-(4-Carbamimidoyl-phenyl)-N-cyclopentyl-N-met...) Show SMILES CCCc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C(N)=N)C(=O)N(C)C1CCCC1 Show InChI InChI=1S/C25H34N4O3S/c1-3-6-18-11-15-22(16-12-18)33(31,32)28-23(25(30)29(2)21-7-4-5-8-21)17-19-9-13-20(14-10-19)24(26)27/h9-16,21,23,28H,3-8,17H2,1-2H3,(H3,26,27)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 1683-6 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N5D
					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 Article PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in COS7 cells incubated for 1.5 hrs by gamma counting method				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					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 Article PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Binding affinity to MT1 receptor (unknown origin) assessed as inhibition constant				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080884 (Benzamidrazone analogue | CHEMBL314189) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(C(N)=NN)c(F)c1)NS(=O)(=O)c1ccc2CCCCc2c1 |w:17.18| Show InChI InChI=1S/C26H34FN5O3S/c1-32(20-8-4-5-9-20)26(33)24(15-17-10-13-22(23(27)14-17)25(28)30-29)31-36(34,35)21-12-11-18-6-2-3-7-19(18)16-21/h10-14,16,20,24,31H,2-9,15,29H2,1H3,(H2,28,30)/t24-/m0/s1	PDB UniProtKB/SwissProt 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
Biotech Research Institute Curated by ChEMBL					Assay Description Inhibitory constant of the compound against human thrombin was determined in vitro.				Bioorg Med Chem Lett 9: 2483-6 (1999) BindingDB Entry DOI: 10.7270/Q2CC0ZW2
					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	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 1 hr by gamma counting method				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50291355 (1-[3-[4-amino(amineimino)methylphenyl]-2-(2-anthry...) Show SMILES NN=C(N)c1ccc(C[C@H](NS(=O)(=O)c2ccc3cc4ccccc4cc3c2)C(=O)N2CCCCCC2)cc1 |w:1.0| Show InChI InChI=1S/C30H33N5O3S/c31-29(33-32)22-11-9-21(10-12-22)17-28(30(36)35-15-5-1-2-6-16-35)34-39(37,38)27-14-13-25-18-23-7-3-4-8-24(23)19-26(25)20-27/h3-4,7-14,18-20,28,34H,1-2,5-6,15-17,32H2,(H2,31,33)/t28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory effect against bovine thrombin				Bioorg Med Chem Lett 7: 769-774 (1997) Article DOI: 10.1016/S0960-894X(97)00115-7 BindingDB Entry DOI: 10.7270/Q2B27V9F
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50085048 ((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(methyl-pyri...) Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1ccccn1 Show InChI InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50085048 ((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(methyl-pyri...) Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1ccccn1 Show InChI InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2021.116564 BindingDB Entry DOI: 10.7270/Q29G5RSJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Bos taurus (Bovine))	BDBM50069294 ((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:19.21| Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against bovine thrombin				Bioorg Med Chem Lett 8: 631-4 (1999) BindingDB Entry DOI: 10.7270/Q2CR5SHR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50099491 (2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...) Show SMILES CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O Show InChI InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to PPARalpha (unknown origin) by TR-FRET assay				Citation and Details Article DOI: 10.1016/j.bmc.2019.05.028 BindingDB Entry DOI: 10.7270/Q2930XSX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50506043 (CHEMBL4548591) Show SMILES CC(=O)NCCc1c(Br)[nH]c2ccc(OCCO)cc12 Show InChI InChI=1S/C14H17BrN2O3/c1-9(19)16-5-4-11-12-8-10(20-7-6-18)2-3-13(12)17-14(11)15/h2-3,8,17-18H,4-7H2,1H3,(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in NIH3T3 cells membranes incubated for 90 mins by Cheng-Prusoff equation an...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50069297 (1-[3-[4-amino(amineimino)methylphenyl]-2-(2-naphth...) Show SMILES NN=C(N)c1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)cc1 |w:1.0| Show InChI InChI=1S/C26H31N5O3S/c27-25(29-28)21-11-9-19(10-12-21)17-24(26(32)31-15-5-1-2-6-16-31)30-35(33,34)23-14-13-20-7-3-4-8-22(20)18-23/h3-4,7-14,18,24,30H,1-2,5-6,15-17,28H2,(H2,27,29)/t24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory effect against bovine thrombin				Bioorg Med Chem Lett 7: 769-774 (1997) Article DOI: 10.1016/S0960-894X(97)00115-7 BindingDB Entry DOI: 10.7270/Q2B27V9F
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080880 (Benzamidrazone analogue | CHEMBL312011) Show SMILES CCCc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(C(N)=NN)c(F)c1)C(=O)N(C)C1CCCC1 |w:21.22| Show InChI InChI=1S/C25H34FN5O3S/c1-3-6-17-9-12-20(13-10-17)35(33,34)30-23(25(32)31(2)19-7-4-5-8-19)16-18-11-14-21(22(26)15-18)24(27)29-28/h9-15,19,23,30H,3-8,16,28H2,1-2H3,(H2,27,29)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Inhibitory constant of the compound against human thrombin was determined in vitro.				Bioorg Med Chem Lett 9: 2483-6 (1999) BindingDB Entry DOI: 10.7270/Q2CC0ZW2
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50080881 (Benzamidrazone analogue | CHEMBL82072) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1F)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:20.22| Show InChI InChI=1S/C26H30FN5O3S/c1-32(21-8-4-5-9-21)26(33)24(16-19-10-11-20(15-23(19)27)25(28)30-29)31-36(34,35)22-13-12-17-6-2-3-7-18(17)14-22/h2-3,6-7,10-15,21,24,31H,4-5,8-9,16,29H2,1H3,(H2,28,30)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Inhibitory constant of the compound against human thrombin was determined in vitro.				Bioorg Med Chem Lett 9: 2483-6 (1999) BindingDB Entry DOI: 10.7270/Q2CC0ZW2
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070784 ((S)-3-(5-Carbamimidoyl-thiophen-2-yl)-N-cyclopenty...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(s1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C24H28N4O3S2/c1-28(18-8-4-5-9-18)24(29)21(15-19-11-13-22(32-19)23(25)26)27-33(30,31)20-12-10-16-6-2-3-7-17(16)14-20/h2-3,6-7,10-14,18,21,27H,4-5,8-9,15H2,1H3,(H3,25,26)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 1683-6 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N5D
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50069292 (CHEMBL156082 | N-ethyl-N-cyclopentyl-3-(4-hydrazon...) Show SMILES CCN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:20.22| Show InChI InChI=1S/C27H33N5O3S/c1-2-32(23-9-5-6-10-23)27(33)25(17-19-11-13-21(14-12-19)26(28)30-29)31-36(34,35)24-16-15-20-7-3-4-8-22(20)18-24/h3-4,7-8,11-16,18,23,25,31H,2,5-6,9-10,17,29H2,1H3,(H2,28,30)/t25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against bovine thrombin				Bioorg Med Chem Lett 8: 631-4 (1999) BindingDB Entry DOI: 10.7270/Q2CR5SHR
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50086029 (CHEMBL10099 | N-[2-(10-Methoxy-5,6-dihydro-indolo[...) Show SMILES CCCC(=O)NCCc1c2-c3ccccc3CCn2c2ccc(OC)cc12 Show InChI InChI=1S/C23H26N2O2/c1-3-6-22(26)24-13-11-19-20-15-17(27-2)9-10-21(20)25-14-12-16-7-4-5-8-18(16)23(19)25/h4-5,7-10,15H,3,6,11-14H2,1-2H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in NIH3T3 cells membranes by radioligand binding assay				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111847 BindingDB Entry DOI: 10.7270/Q2H70K32
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50095155 ((S)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes measured after 1 hr by scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01631 BindingDB Entry DOI: 10.7270/Q2988BVJ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50076722 ((S)-5-(4-Methylamino-phenyl)-2-(5,6,7,8-tetrahydro...) Show SMILES CNc1ccc(cc1)C#CC[C@H](NS(=O)(=O)c1ccc2CCCCc2c1)C(=O)N(C)C1CCCC1 Show InChI InChI=1S/C28H35N3O3S/c1-29-24-17-14-21(15-18-24)8-7-13-27(28(32)31(2)25-11-5-6-12-25)30-35(33,34)26-19-16-22-9-3-4-10-23(22)20-26/h14-20,25,27,29-30H,3-6,9-13H2,1-2H3/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Inhibition of human thrombin				Bioorg Med Chem Lett 9: 1013-8 (1999) BindingDB Entry DOI: 10.7270/Q298866C
					More data for this Ligand-Target Pair

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