Compile Data Set for Download or QSAR

Found 6 hits of ki for UniProtKB: P02795   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Metallothionein-2 (Human)	BDBM50035179 (Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...) Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	US Patent	0.0420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A. US Patent					Assay Description The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...				US Patent US10781182 (2020) BindingDB Entry DOI: 10.7270/Q2JH3Q7Q
					More data for this Ligand-Target Pair
Metallothionein-2 (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A. US Patent					Assay Description The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...				US Patent US10781182 (2020) BindingDB Entry DOI: 10.7270/Q2JH3Q7Q
					More data for this Ligand-Target Pair
Metallothionein-2 (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A. US Patent					Assay Description The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...				US Patent US10781182 (2020) BindingDB Entry DOI: 10.7270/Q2JH3Q7Q
					More data for this Ligand-Target Pair
Metallothionein-2 (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A. US Patent					Assay Description The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...				US Patent US10781182 (2020) BindingDB Entry DOI: 10.7270/Q2JH3Q7Q
					More data for this Ligand-Target Pair
Metallothionein-2 (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A. US Patent					Assay Description The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...				US Patent US10781182 (2020) BindingDB Entry DOI: 10.7270/Q2JH3Q7Q
					More data for this Ligand-Target Pair
Metallothionein-2 (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ACHÉ LABORATÓRIOS FARMACÊUTICOS S.A. US Patent					Assay Description The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...				US Patent US10781182 (2020) BindingDB Entry DOI: 10.7270/Q2JH3Q7Q
					More data for this Ligand-Target Pair