Compile Data Set for Download or QSAR

Found 124 hits with Last Name = 'ferreira' and Initial = 'ma'   

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 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	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					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	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50575514 (CHEMBL4852440) Show SMILES CCOc1nc2ccc3OCCc3c2n1CCNC(C)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50575516 (CHEMBL4874954) Show SMILES CCCC(=O)NCCn1c(OCC)nc2ccc(OC)cc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50575514 (CHEMBL4852440) Show SMILES CCOc1nc2ccc3OCCc3c2n1CCNC(C)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50575513 (CHEMBL4873903) Show SMILES COc1nc2ccc3OCCc3c2n1CCNC(C)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50575516 (CHEMBL4874954) Show SMILES CCCC(=O)NCCn1c(OCC)nc2ccc(OC)cc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50575511 (CHEMBL4859677) Show SMILES CCOc1nc2ccc(OC)cc2n1CCNC(C)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50575513 (CHEMBL4873903) Show SMILES COc1nc2ccc3OCCc3c2n1CCNC(C)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50575517 (CHEMBL4869463) Show SMILES CCOc1nc2ccc(OC)cc2n1CCNC(=O)C1CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM463447 (US10781182, Compound IA2-143 | US11091445, Compoun...) Show SMILES COc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O Show InChI InChI=1S/C13H16ClN3O3/c1-8(18)15-4-5-17-11-7-12(19-2)9(14)6-10(11)16-13(17)20-3/h6-7H,4-5H2,1-3H3,(H,15,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM463444 (US10781182, Compound IA2-121 | US11091445, Compoun...) Show SMILES CCOc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O Show InChI InChI=1S/C14H18ClN3O3/c1-4-21-14-17-11-7-10(15)13(20-3)8-12(11)18(14)6-5-16-9(2)19/h7-8H,4-6H2,1-3H3,(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM463444 (US10781182, Compound IA2-121 | US11091445, Compoun...) Show SMILES CCOc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O Show InChI InChI=1S/C14H18ClN3O3/c1-4-21-14-17-11-7-10(15)13(20-3)8-12(11)18(14)6-5-16-9(2)19/h7-8H,4-6H2,1-3H3,(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50575511 (CHEMBL4859677) Show SMILES CCOc1nc2ccc(OC)cc2n1CCNC(C)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50575510 (CHEMBL4867553) Show SMILES COc1ccc2nc(SC)n(CCNC(C)=O)c2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM463443 (US10781182, Compound IA2-120 | US11091445, Compoun...) Show SMILES CCOc1nc2ccc(OC)cc2n1CCCNC(C)=O Show InChI InChI=1S/C15H21N3O3/c1-4-21-15-17-13-7-6-12(20-3)10-14(13)18(15)9-5-8-16-11(2)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50575515 (CHEMBL4872217) Show SMILES CCOc1nc2ccc(OC)cc2n1CCNC(=O)CC Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50575512 (CHEMBL4854625) Show SMILES COc1nc2ccc(OC)cc2n1CCNC(C)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50575515 (CHEMBL4872217) Show SMILES CCOc1nc2ccc(OC)cc2n1CCNC(=O)CC Show InChI	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
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM463446 (US10781182, Compound IA2-142 | US11091445, Compoun...) Show SMILES CCOc1nc2cc(Cl)c(OC)cc2n1CCCNC(C)=O Show InChI InChI=1S/C15H20ClN3O3/c1-4-22-15-18-12-8-11(16)14(21-3)9-13(12)19(15)7-5-6-17-10(2)20/h8-9H,4-7H2,1-3H3,(H,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM463447 (US10781182, Compound IA2-143 | US11091445, Compoun...) Show SMILES COc1nc2cc(Cl)c(OC)cc2n1CCNC(C)=O Show InChI InChI=1S/C13H16ClN3O3/c1-8(18)15-4-5-17-11-7-12(19-2)9(14)6-10(11)16-13(17)20-3/h6-7H,4-5H2,1-3H3,(H,15,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM463445 (US10781182, Compound IA2-140 | US11091445, Compoun...) Show SMILES COc1nc2ccc(OC)cc2n1CCCNC(C)=O Show InChI InChI=1S/C14H19N3O3/c1-10(18)15-7-4-8-17-13-9-11(19-2)5-6-12(13)16-14(17)20-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50575512 (CHEMBL4854625) Show SMILES COc1nc2ccc(OC)cc2n1CCNC(C)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50575510 (CHEMBL4867553) Show SMILES COc1ccc2nc(SC)n(CCNC(C)=O)c2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50575518 (CHEMBL4860729) Show SMILES CCOc1nc2ccc(OC)cc2n1CCNC(=O)C1CCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50575517 (CHEMBL4869463) Show SMILES CCOc1nc2ccc(OC)cc2n1CCNC(=O)C1CC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50081174 (CHEMBL3421968) Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2cnccc12)N1CCN(C)CC1 Show InChI InChI=1S/C24H27N7O/c1-29-10-12-31(13-11-29)17-4-5-21(23(14-17)32-3)28-24-26-9-7-20(27-24)19-16-30(2)22-15-25-8-6-18(19)22/h4-9,14-16H,10-13H2,1-3H3,(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.40	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.bmcl.2022.128764 BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM463443 (US10781182, Compound IA2-120 | US11091445, Compoun...) Show SMILES CCOc1nc2ccc(OC)cc2n1CCCNC(C)=O Show InChI InChI=1S/C15H21N3O3/c1-4-21-15-17-13-7-6-12(20-3)10-14(13)18(15)9-5-8-16-11(2)19/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50600512 (CHEMBL5203374) Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NCc1ccccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.90	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.bmcl.2022.128764 BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50081174 (CHEMBL3421968) Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2cnccc12)N1CCN(C)CC1 Show InChI InChI=1S/C24H27N7O/c1-29-10-12-31(13-11-29)17-4-5-21(23(14-17)32-3)28-24-26-9-7-20(27-24)19-16-30(2)22-15-25-8-6-18(19)22/h4-9,14-16H,10-13H2,1-3H3,(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	11	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.bmcl.2022.128764 BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM463445 (US10781182, Compound IA2-140 | US11091445, Compoun...) Show SMILES COc1nc2ccc(OC)cc2n1CCCNC(C)=O Show InChI InChI=1S/C14H19N3O3/c1-10(18)15-7-4-8-17-13-9-11(19-2)5-6-12(13)16-14(17)20-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM463446 (US10781182, Compound IA2-142 | US11091445, Compoun...) Show SMILES CCOc1nc2cc(Cl)c(OC)cc2n1CCCNC(C)=O Show InChI InChI=1S/C15H20ClN3O3/c1-4-22-15-18-12-8-11(16)14(21-3)9-13(12)19(15)7-5-6-17-10(2)20/h8-9H,4-7H2,1-3H3,(H,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT1 receptor expressed in CHO cells incubated for 60 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50575518 (CHEMBL4860729) Show SMILES CCOc1nc2ccc(OC)cc2n1CCNC(=O)C1CCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of 2-[1251]-iodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00627 BindingDB Entry DOI: 10.7270/Q2Z03CZJ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50600521 (CHEMBL5199700) Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NCc1ccc(N)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	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.bmcl.2022.128764 BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50600517 (CHEMBL5176835) Show SMILES NC(=O)c1cc2c(-c3ccc(s3)C(=O)NCc3ccccc3N)c(Cl)ccc2s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	36	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.bmcl.2022.128764 BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50600505 (CHEMBL5177156) Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NCc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	57	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.bmcl.2022.128764 BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50600512 (CHEMBL5203374) Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NCc1ccccc1O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	65	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.bmcl.2022.128764 BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50600516 (CHEMBL5186861) Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NCc1ccccc1N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	68	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.bmcl.2022.128764 BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50600514 (CHEMBL5180428) Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NCc1cccc(O)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	73	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.bmcl.2022.128764 BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50600513 (CHEMBL5173413) Show SMILES NC(=O)c1cc2c(-c3ccc(s3)C(=O)NCc3ccccc3O)c(Cl)ccc2s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	85	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.bmcl.2022.128764 BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM213236 (4-ylmethyl)-carbamoyl]-thiophen-2-yl}-benzo[b]thio...) Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NCc1ccnc(Cl)c1 Show InChI InChI=1S/C20H16ClN3O3S2/c21-18-8-11(6-7-23-18)10-24-19(25)15-5-4-14(28-15)12-2-1-3-16-13(12)9-17(20(26)27)29(16)22/h1-9,29H,10,22H2,(H,24,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	86	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.bmcl.2022.128764 BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50600507 (CHEMBL5173510) Show SMILES NC(=O)c1cc2c(cccc2s1)-c1cc(N)c(s1)C(=O)NC1CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	90	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.bmcl.2022.128764 BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50600519 (CHEMBL5190686) Show SMILES NC(=O)c1cc2c(-c3ccc(s3)C(=O)NCc3cccc(N)c3)c(Cl)ccc2s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	93	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.bmcl.2022.128764 BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50600508 (CHEMBL5202356) Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NCC1CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	95	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.bmcl.2022.128764 BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50600510 (CHEMBL5173386) Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)N[C@H](CO)Cc1ccccc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	101	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.bmcl.2022.128764 BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50600515 (CHEMBL5172326) Show SMILES NC(=O)c1cc2c(-c3ccc(s3)C(=O)NCc3cccc(O)c3)c(Cl)ccc2s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	105	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.bmcl.2022.128764 BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50600511 (CHEMBL5189902) Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NCCn1cc(CO)nn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	118	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.bmcl.2022.128764 BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50600518 (CHEMBL5191496) Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NCc1cccc(N)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	119	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.bmcl.2022.128764 BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50600506 (CHEMBL5203368) Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NC1CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	160	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.bmcl.2022.128764 BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50600509 (CHEMBL5170875) Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NC1CCOCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	178	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.bmcl.2022.128764 BindingDB Entry DOI: 10.7270/Q2NZ8CPQ
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 124 total )  |  Next  |  Last  >>

Jump to: