Compile Data Set for Download or QSAR

Found 874 hits with Last Name = 'kamiya' and Initial = 'h'   

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
Glutamate receptor 3 (RAT)	BDBM50252103 ((2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-MET...) Show SMILES C[C@H](\C=C\C=C(/C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4+/t9-,10+,11-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by PDSP Ki Database									J Pharmacol Exp Ther 296: 650-8 (2001) BindingDB Entry DOI: 10.7270/Q2M0440C
					More data for this Ligand-Target Pair
Glutamate receptor 3 (RAT)	BDBM50002369 ((2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methyleth...) Show SMILES CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O |r| Show InChI InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by PDSP Ki Database									J Pharmacol Exp Ther 296: 650-8 (2001) BindingDB Entry DOI: 10.7270/Q2M0440C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor 3 (RAT)	BDBM85740 (Dysiherbaine) Show SMILES CN[C@H]1[C@H]2O[C@](C[C@H](N)C(O)=O)(C[C@H]2OC[C@H]1O)C(O)=O Show InChI InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by PDSP Ki Database									J Pharmacol Exp Ther 296: 650-8 (2001) BindingDB Entry DOI: 10.7270/Q2M0440C
					More data for this Ligand-Target Pair
Glutamate receptor 3 (RAT)	BDBM17657 ((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...) Show SMILES N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by PDSP Ki Database									J Pharmacol Exp Ther 296: 650-8 (2001) BindingDB Entry DOI: 10.7270/Q2M0440C
					More data for this Ligand-Target Pair
Glutamate receptor 3 (RAT)	BDBM17657 ((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...) Show SMILES N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by PDSP Ki Database									J Pharmacol Exp Ther 296: 650-8 (2001) BindingDB Entry DOI: 10.7270/Q2M0440C
					More data for this Ligand-Target Pair
Glutamate receptor 3 (RAT)	BDBM17657 ((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...) Show SMILES N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by PDSP Ki Database									J Pharmacol Exp Ther 296: 650-8 (2001) BindingDB Entry DOI: 10.7270/Q2M0440C
					More data for this Ligand-Target Pair
Glutamate receptor 3 (RAT)	BDBM85740 (Dysiherbaine) Show SMILES CN[C@H]1[C@H]2O[C@](C[C@H](N)C(O)=O)(C[C@H]2OC[C@H]1O)C(O)=O Show InChI InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents	PubMed	153	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by PDSP Ki Database									J Pharmacol Exp Ther 296: 650-8 (2001) BindingDB Entry DOI: 10.7270/Q2M0440C
					More data for this Ligand-Target Pair
Glutamate receptor 3 (RAT)	BDBM50252103 ((2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-MET...) Show SMILES C[C@H](\C=C\C=C(/C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/b5-3+,8-4+/t9-,10+,11-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	927	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by PDSP Ki Database									J Pharmacol Exp Ther 296: 650-8 (2001) BindingDB Entry DOI: 10.7270/Q2M0440C
					More data for this Ligand-Target Pair
Glutamate receptor 3 (RAT)	BDBM50002343 (2-Methylamino-succinic acid | CHEMBL275325 | NMDA) Show SMILES CNC(CC(O)=O)C(O)=O Show InChI InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by PDSP Ki Database									J Pharmacol Exp Ther 296: 650-8 (2001) BindingDB Entry DOI: 10.7270/Q2M0440C
					More data for this Ligand-Target Pair
Glutamate receptor 3 (RAT)	BDBM85740 (Dysiherbaine) Show SMILES CN[C@H]1[C@H]2O[C@](C[C@H](N)C(O)=O)(C[C@H]2OC[C@H]1O)C(O)=O Show InChI InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by PDSP Ki Database									J Pharmacol Exp Ther 296: 650-8 (2001) BindingDB Entry DOI: 10.7270/Q2M0440C
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Mus musculus)	BDBM50566781 (CHEMBL4867273) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)-c2ccc(cc2)C(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50566781 (CHEMBL4867273) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)-c2ccc(cc2)C(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50593249 (CHEMBL5199870) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@]2(C)CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC2=CCC(F)(F)CC2)NC1=O)C(C)C)C(C)C |r,t:68| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00310 BindingDB Entry DOI: 10.7270/Q2CF9V42
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50593251 (CHEMBL5199920) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@]2(C)CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC2CCCCC2)NC1=O)C(C)C)C(C)C |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00310 BindingDB Entry DOI: 10.7270/Q2CF9V42
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50593248 (CHEMBL5208859) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@]2(C)CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC2CCCCC2)NC1=O)C(C)C)C(C)C |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00310 BindingDB Entry DOI: 10.7270/Q2CF9V42
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50593250 (CHEMBL5180391) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@]2(C)CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC2CCCCC2)NC1=O)C(C)C)C(C)C |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00310 BindingDB Entry DOI: 10.7270/Q2CF9V42
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50566783 (CHEMBL4859806) Show SMILES CN(C)CCCC[C@@H]1NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CSCCNC(=O)[C@H](Cc2ccc(cc2)-c2ccc(cc2)C(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CC(F)(F)CN2C1=O)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50593258 (CHEMBL5175402) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@](C)(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cccc3ccccc23)NC1=O)C(C)C)C(C)C |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00310 BindingDB Entry DOI: 10.7270/Q2CF9V42
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50593247 (CHEMBL5194642) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@]2(C)CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc2ccccc2)NC1=O)C(C)C)C(C)C |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00310 BindingDB Entry DOI: 10.7270/Q2CF9V42
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50566776 (CHEMBL4847740) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(N)=O)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Mus musculus)	BDBM50566783 (CHEMBL4859806) Show SMILES CN(C)CCCC[C@@H]1NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CSCCNC(=O)[C@H](Cc2ccc(cc2)-c2ccc(cc2)C(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CC(F)(F)CN2C1=O)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50593255 (CHEMBL5201455) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@]2(C)CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC(C)(C)CNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC2CCCCC2)NC1=O)C(C)C)C(C)C |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00310 BindingDB Entry DOI: 10.7270/Q2CF9V42
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50593245 (CHEMBL5195759) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cccc3ccccc23)NC1=O)C(C)C)C(C)C |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00310 BindingDB Entry DOI: 10.7270/Q2CF9V42
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50593246 (CHEMBL5183416) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@]2(C)CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cccc3ccccc23)NC1=O)C(C)C)C(C)C |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00310 BindingDB Entry DOI: 10.7270/Q2CF9V42
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50566782 (CHEMBL4857394) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)-c2cccc(c2)C(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.930	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Mus musculus)	BDBM50566782 (CHEMBL4857394) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)-c2cccc(c2)C(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50593257 (CHEMBL5203523) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC(=O)CNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C)C(C)C |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00310 BindingDB Entry DOI: 10.7270/Q2CF9V42
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50566772 (CHEMBL4878738) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCCN)NC1=O)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Mus musculus)	BDBM50566776 (CHEMBL4847740) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(N)=O)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Mus musculus)	BDBM50566772 (CHEMBL4878738) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCCN)NC1=O)C(N)=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50566784 (CHEMBL4872872) Show SMILES CN1[C@@H](Cc2ccccc2)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](CC(C)(C)C)C(=O)N2CCCC[C@H]2C(=O)N2CC(F)(F)C[C@H]2C(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@@H](Cc2ccc(cc2)-c2ccc(cc2)C(N)=O)C(=O)NCCSCC1=O)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Mus musculus)	BDBM50566784 (CHEMBL4872872) Show SMILES CN1[C@@H](Cc2ccccc2)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](CC(C)(C)C)C(=O)N2CCCC[C@H]2C(=O)N2CC(F)(F)C[C@H]2C(=O)N2Cc3ccccc3C[C@H]2C(=O)N[C@@H](Cc2ccc(cc2)-c2ccc(cc2)C(N)=O)C(=O)NCCSCC1=O)c1ccccc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50593252 (CHEMBL5205912) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC2CCCCC2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@]2(C)CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC1=O)C(C)C)C(C)C |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00310 BindingDB Entry DOI: 10.7270/Q2CF9V42
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50593253 (CHEMBL5189547) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@]2(C)CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CSCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC2CCCCC2)NC1=O)C(C)C)C(C)C |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00310 BindingDB Entry DOI: 10.7270/Q2CF9V42
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM346986 (US10202379, Reference Example 730) Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3cccc(C#C)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r| Show InChI InChI=1S/C26H20F3N3O3S/c1-3-16-7-6-8-17-13-36-20-10-5-4-9-18(20)22(21(16)17)32-14-30(15(2)26(27,28)29)25(35)23-24(34)19(33)11-12-31(23)32/h1,4-12,15,22,34H,13-14H2,2H3/t15-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.52	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...				US Patent US10202379 (2019) BindingDB Entry DOI: 10.7270/Q2XK8HP2
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM346979 (US10202379, Reference Example 719) Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3c(Cl)cccc23)n2cc(CO)c(=O)c(O)c2C1=O)C(F)(F)F |r| Show InChI InChI=1S/C25H21ClF3N3O4S/c1-13(25(27,28)29)30-12-32(31-9-14(10-33)22(34)23(35)21(31)24(30)36)20-15-6-4-7-18(26)17(15)11-37-19-8-3-2-5-16(19)20/h2-9,13,20,33,35H,10-12H2,1H3/t13-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...				US Patent US10202379 (2019) BindingDB Entry DOI: 10.7270/Q2XK8HP2
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM346964 (US10202379, Reference Example 666) Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3cccc(Cl)c23)n2cc(CO)c(=O)c(O)c2C1=O)C(F)(F)F |r| Show InChI InChI=1S/C25H21ClF3N3O4S/c1-13(25(27,28)29)30-12-32(31-9-15(10-33)22(34)23(35)21(31)24(30)36)20-16-6-2-3-8-18(16)37-11-14-5-4-7-17(26)19(14)20/h2-9,13,20,33,35H,10-12H2,1H3/t13-,20-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.36	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...				US Patent US10202379 (2019) BindingDB Entry DOI: 10.7270/Q2XK8HP2
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50593256 (CHEMBL5186053) Show SMILES COC(=O)[C@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC2CCCCC2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@]2(C)CCCN2C(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CSC1(C)C)C(C)C)C(C)C |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00310 BindingDB Entry DOI: 10.7270/Q2CF9V42
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM346968 (US10202379, Reference Example 691) Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3cccc(C4CC4)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r| Show InChI InChI=1S/C27H24F3N3O3S/c1-15(27(28,29)30)31-14-33(32-12-11-20(34)25(35)24(32)26(31)36)23-19-6-2-3-8-21(19)37-13-17-5-4-7-18(22(17)23)16-9-10-16/h2-8,11-12,15-16,23,35H,9-10,13-14H2,1H3/t15-,23-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.67	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...				US Patent US10202379 (2019) BindingDB Entry DOI: 10.7270/Q2XK8HP2
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM346984 (US10202379, Reference Example 726) Show SMILES C[C@@H](N1CN([C@@H]2c3cccc(F)c3SCc3cccc(C#C)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r| Show InChI InChI=1S/C26H19F4N3O3S/c1-3-15-6-4-7-16-12-37-24-17(8-5-9-18(24)27)21(20(15)16)33-13-31(14(2)26(28,29)30)25(36)22-23(35)19(34)10-11-32(22)33/h1,4-11,14,21,35H,12-13H2,2H3/t14-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.74	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...				US Patent US10202379 (2019) BindingDB Entry DOI: 10.7270/Q2XK8HP2
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM346923 (US10202379, Reference Example 602) Show SMILES C[C@@H](N1CN([C@H]2c3ccc(F)cc3CSc3c(Cl)cccc23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r| Show InChI InChI=1S/C24H18ClF4N3O3S/c1-12(24(27,28)29)30-11-32(31-8-7-18(33)21(34)20(31)23(30)35)19-15-6-5-14(26)9-13(15)10-36-22-16(19)3-2-4-17(22)25/h2-9,12,19,34H,10-11H2,1H3/t12-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...				US Patent US10202379 (2019) BindingDB Entry DOI: 10.7270/Q2XK8HP2
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM346931 (US10202379, Reference Example 619) Show SMILES C[C@@H](N1CN([C@H]2c3ccc(F)cc3CSc3c(Br)cccc23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r| Show InChI InChI=1S/C24H18BrF4N3O3S/c1-12(24(27,28)29)30-11-32(31-8-7-18(33)21(34)20(31)23(30)35)19-15-6-5-14(26)9-13(15)10-36-22-16(19)3-2-4-17(22)25/h2-9,12,19,34H,10-11H2,1H3/t12-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...				US Patent US10202379 (2019) BindingDB Entry DOI: 10.7270/Q2XK8HP2
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM346983 (US10202379, Reference Example 724) Show SMILES CCc1cccc2CSc3c(F)cccc3[C@@H](N3CN([C@H](C)C(F)(F)F)C(=O)c4c(O)c(=O)ccn34)c12 |r| Show InChI InChI=1S/C26H23F4N3O3S/c1-3-15-6-4-7-16-12-37-24-17(8-5-9-18(24)27)21(20(15)16)33-13-31(14(2)26(28,29)30)25(36)22-23(35)19(34)10-11-32(22)33/h4-11,14,21,35H,3,12-13H2,1-2H3/t14-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.07	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...				US Patent US10202379 (2019) BindingDB Entry DOI: 10.7270/Q2XK8HP2
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM346995 (US10202379, Reference Example 772) Show SMILES C[C@@H](N1CN([C@@H]2c3ccc(F)cc3SCc3cccc(Cl)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r| Show InChI InChI=1S/C24H18ClF4N3O3S/c1-12(24(27,28)29)30-11-32(31-8-7-17(33)22(34)21(31)23(30)35)20-15-6-5-14(26)9-18(15)36-10-13-3-2-4-16(25)19(13)20/h2-9,12,20,34H,10-11H2,1H3/t12-,20-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.22	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...				US Patent US10202379 (2019) BindingDB Entry DOI: 10.7270/Q2XK8HP2
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM346978 (US10202379, Reference Example 716) Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3c(F)c(F)ccc23)n2cc(Cl)c(=O)c(O)c2C1=O)C(F)(F)F |r| Show InChI InChI=1S/C24H17ClF5N3O3S/c1-11(24(28,29)30)31-10-33(32-8-15(25)21(34)22(35)20(32)23(31)36)19-12-6-7-16(26)18(27)14(12)9-37-17-5-3-2-4-13(17)19/h2-8,11,19,35H,9-10H2,1H3/t11-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.54	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...				US Patent US10202379 (2019) BindingDB Entry DOI: 10.7270/Q2XK8HP2
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM346976 (US10202379, Reference Example 711) Show SMILES C[C@@H](N1CN([C@@H]2c3ccccc3SCc3c(F)c(F)ccc23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r| Show InChI InChI=1S/C24H18F5N3O3S/c1-12(24(27,28)29)30-11-32(31-9-8-17(33)22(34)21(31)23(30)35)20-13-6-7-16(25)19(26)15(13)10-36-18-5-3-2-4-14(18)20/h2-9,12,20,34H,10-11H2,1H3/t12-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.57	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...				US Patent US10202379 (2019) BindingDB Entry DOI: 10.7270/Q2XK8HP2
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM346987 (US10202379, Reference Example 731) Show SMILES CCc1cccc2CSc3ccccc3[C@@H](N3CN([C@H](C)C(F)(F)F)C(=O)c4c(O)c(=O)ccn34)c12 |r| Show InChI InChI=1S/C26H24F3N3O3S/c1-3-16-7-6-8-17-13-36-20-10-5-4-9-18(20)22(21(16)17)32-14-30(15(2)26(27,28)29)25(35)23-24(34)19(33)11-12-31(23)32/h4-12,15,22,34H,3,13-14H2,1-2H3/t15-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.76	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...				US Patent US10202379 (2019) BindingDB Entry DOI: 10.7270/Q2XK8HP2
					More data for this Ligand-Target Pair
Nicotinamide N-methyltransferase (Homo sapiens (Human))	BDBM50566775 (CHEMBL4856854) Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](Cc2ccccc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(N)=O)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC1=O)C(N)=O)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant NNMT using nicotinamide and SAM as substrate assessed as reduction in 1-methyl-nicotinamide formation incubated for 2...				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00134 BindingDB Entry DOI: 10.7270/Q21J9FJD
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM346994 (US10202379, Reference Example 771) Show SMILES C[C@@H](N1CN([C@@H]2c3cccc(F)c3SCc3cccc(Br)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r| Show InChI InChI=1S/C24H18BrF4N3O3S/c1-12(24(27,28)29)30-11-32(31-9-8-17(33)21(34)20(31)23(30)35)19-14-5-3-7-16(26)22(14)36-10-13-4-2-6-15(25)18(13)19/h2-9,12,19,34H,10-11H2,1H3/t12-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.89	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...				US Patent US10202379 (2019) BindingDB Entry DOI: 10.7270/Q2XK8HP2
					More data for this Ligand-Target Pair
Transcription initiation factor TFIID subunit 1 (Homo sapiens (Human))	BDBM346932 (US10202379, Reference Example 621) Show SMILES C[C@@H](N1CN([C@@H]2c3cccc(F)c3SCc3cccc(Cl)c23)n2ccc(=O)c(O)c2C1=O)C(F)(F)F |r| Show InChI InChI=1S/C24H18ClF4N3O3S/c1-12(24(27,28)29)30-11-32(31-9-8-17(33)21(34)20(31)23(30)35)19-14-5-3-7-16(26)22(14)36-10-13-4-2-6-15(25)18(13)19/h2-9,12,19,34H,10-11H2,1H3/t12-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description A test sample was diluted with a culture medium to an appropriate concentration in advance, and then 2 to 5-fold serial dilution on a 96 well plate (...				US Patent US10202379 (2019) BindingDB Entry DOI: 10.7270/Q2XK8HP2
					More data for this Ligand-Target Pair

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