Compile Data Set for Download or QSAR

Found 893 hits with Last Name = 'chung' and Initial = 'm'   

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
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM21975 ((4S)-16'-(2-aminoethyl)-9'-hydroxy-1,3,6',6'-tetra...) Show SMILES CN1C(=O)N(C)[C@@]2(Oc3c(O)cc4c(CC[N+]4(C)C)c3C3=C2C(=O)c2c(CCN)c[nH]c2C3=O)C1=O |r,c:22| Show InChI InChI=1S/C25H25N5O6/c1-28-23(34)25(29(2)24(28)35)18-17(21(33)19-15(20(18)32)11(5-7-26)10-27-19)16-12-6-8-30(3,4)13(12)9-14(31)22(16)36-25/h9-10H,5-8,26H2,1-4H3,(H-,27,31,32,33)/p+1/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	41	-43.9	n/a	n/a	n/a	n/a	n/a	6.5	37
University of British Columbia					Assay Description The ability of the compounds prepared in this study to inhibit purified recombinant human IDO was evaluated with a steady state spectrophotometric as...				J Med Chem 51: 2634-7 (2008) Article DOI: 10.1021/jm800143h BindingDB Entry DOI: 10.7270/Q2MK6B65
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50324701 (CHEMBL1221472 | Exiguamine A) Show SMILES CN1C(=O)N(C)[C@]2(Oc3c(O)cc4c(CC[N+]4(C)C)c3C3=C2C(=O)c2c(CCN)c[nH]c2C3=O)C1=O |r,c:22| Show InChI InChI=1S/C25H25N5O6/c1-28-23(34)25(29(2)24(28)35)18-17(21(33)19-15(20(18)32)11(5-7-26)10-27-19)16-12-6-8-30(3,4)13(12)9-14(31)22(16)36-25/h9-10H,5-8,26H2,1-4H3,(H-,27,31,32,33)/p+1/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant indoleamine-2,3-dioxygenase				Nat Chem Biol 4: 535-7 (2008) Article DOI: 10.1038/nchembio.107 BindingDB Entry DOI: 10.7270/Q2P55NR5
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50324700 (CHEMBL1221412 | Exiguamine B) Show SMILES CN1C(=O)N(C)[C@]2(Oc3c(O)cc4c([C@H](O)C[N+]4(C)C)c3C3=C2C(=O)c2c(CCN)c[nH]c2C3=O)C1=O |r,c:23| Show InChI InChI=1S/C25H25N5O7/c1-28-23(35)25(29(2)24(28)36)18-17(21(34)19-14(20(18)33)10(5-6-26)8-27-19)16-15-11(7-12(31)22(16)37-25)30(3,4)9-13(15)32/h7-8,13,32H,5-6,9,26H2,1-4H3,(H-,27,31,33,34)/p+1/t13-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant indoleamine-2,3-dioxygenase				Nat Chem Biol 4: 535-7 (2008) Article DOI: 10.1038/nchembio.107 BindingDB Entry DOI: 10.7270/Q2P55NR5
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM50324699 (CHEMBL1221473 | Seco-exiguamine) Show SMILES CN(C)CCc1ccc(O)c(O)c1C1=C(c2c(O)n(C)c(=O)n2C)C(=O)c2c(CCN)c[nH]c2C1=O |c:14| Show InChI InChI=1S/C25H29N5O6/c1-28(2)10-8-12-5-6-14(31)21(32)15(12)17-18(20-24(35)30(4)25(36)29(20)3)22(33)16-13(7-9-26)11-27-19(16)23(17)34/h5-6,11,27,31-32,35H,7-10,26H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human recombinant indoleamine-2,3-dioxygenase				Nat Chem Biol 4: 535-7 (2008) Article DOI: 10.1038/nchembio.107 BindingDB Entry DOI: 10.7270/Q2P55NR5
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM21979 (4,7-dihydro-1H-indole-4,7-dione | Indolequinone, 1...) Show SMILES O=C1C=CC(=O)c2[nH]ccc12 |c:2| Show InChI InChI=1S/C8H5NO2/c10-6-1-2-7(11)8-5(6)3-4-9-8/h1-4,9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	190	-39.9	n/a	n/a	n/a	n/a	n/a	6.5	37
University of British Columbia					Assay Description The ability of the compounds prepared in this study to inhibit purified recombinant human IDO was evaluated with a steady state spectrophotometric as...				J Med Chem 51: 2634-7 (2008) Article DOI: 10.1021/jm800143h BindingDB Entry DOI: 10.7270/Q2MK6B65
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM21982 (3-(2-aminoethyl)-5-(3-methyl-2,5-dioxo-1-propylimi...) Show SMILES CCCn1c(O)c(C2=CC(=O)c3[nH]cc(CCN)c3C2=O)n(C)c1=O |t:7| Show InChI InChI=1S/C17H20N4O4/c1-3-6-21-16(24)14(20(2)17(21)25)10-7-11(22)13-12(15(10)23)9(4-5-18)8-19-13/h7-8,19,24H,3-6,18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	200	-39.8	n/a	n/a	n/a	n/a	n/a	6.5	37
University of British Columbia					Assay Description The ability of the compounds prepared in this study to inhibit purified recombinant human IDO was evaluated with a steady state spectrophotometric as...				J Med Chem 51: 2634-7 (2008) Article DOI: 10.1021/jm800143h BindingDB Entry DOI: 10.7270/Q2MK6B65
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM21984 (Tryptamine quinone, 25 | methyl 4-{4,7-dioxo-3-[2-...) Show SMILES CCCN1C(=O)N(C)C(C(=O)OC)(C1=O)C1=CC(=O)c2[nH]cc(CCNC(=O)CCc3ccccc3)c2C1=O |t:16| Show InChI InChI=1S/C28H30N4O7/c1-4-14-32-25(36)28(26(37)39-3,31(2)27(32)38)19-15-20(33)23-22(24(19)35)18(16-30-23)12-13-29-21(34)11-10-17-8-6-5-7-9-17/h5-9,15-16,30H,4,10-14H2,1-3H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	260	-39.1	n/a	n/a	n/a	n/a	n/a	6.5	37
University of British Columbia					Assay Description The ability of the compounds prepared in this study to inhibit purified recombinant human IDO was evaluated with a steady state spectrophotometric as...				J Med Chem 51: 2634-7 (2008) Article DOI: 10.1021/jm800143h BindingDB Entry DOI: 10.7270/Q2MK6B65
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM21981 (Tryptamine quinone, 21 | methyl 4-[3-(2-{[(benzylo...) Show SMILES CCCN1C(=O)N(C)C(C(=O)OC)(C1=O)C1=CC(=O)c2[nH]cc(CCNC(=O)OCc3ccccc3)c2C1=O |t:16| Show InChI InChI=1S/C27H28N4O8/c1-4-12-31-23(34)27(24(35)38-3,30(2)26(31)37)18-13-19(32)21-20(22(18)33)17(14-29-21)10-11-28-25(36)39-15-16-8-6-5-7-9-16/h5-9,13-14,29H,4,10-12,15H2,1-3H3,(H,28,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	260	-39.1	n/a	n/a	n/a	n/a	n/a	6.5	37
University of British Columbia					Assay Description The ability of the compounds prepared in this study to inhibit purified recombinant human IDO was evaluated with a steady state spectrophotometric as...				J Med Chem 51: 2634-7 (2008) Article DOI: 10.1021/jm800143h BindingDB Entry DOI: 10.7270/Q2MK6B65
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM21980 (Indolequinone, 20 | methyl 4-(4,7-dioxo-4,7-dihydr...) Show SMILES CCCN1C(=O)N(C)C(C(=O)OC)(C1=O)C1=CC(=O)c2[nH]ccc2C1=O |t:16| Show InChI InChI=1S/C17H17N3O6/c1-4-7-20-14(23)17(15(24)26-3,19(2)16(20)25)10-8-11(21)12-9(13(10)22)5-6-18-12/h5-6,8,18H,4,7H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	420	-37.9	n/a	n/a	n/a	n/a	n/a	6.5	37
University of British Columbia					Assay Description The ability of the compounds prepared in this study to inhibit purified recombinant human IDO was evaluated with a steady state spectrophotometric as...				J Med Chem 51: 2634-7 (2008) Article DOI: 10.1021/jm800143h BindingDB Entry DOI: 10.7270/Q2MK6B65
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM21976 (Tryptamine quinone, 9 | benzyl N-[2-(4,7-dioxo-4,7...) Show SMILES O=C(NCCc1c[nH]c2c1C(=O)C=CC2=O)OCc1ccccc1 |c:13| Show InChI InChI=1S/C18H16N2O4/c21-14-6-7-15(22)17-16(14)13(10-20-17)8-9-19-18(23)24-11-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11H2,(H,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.49E+3	-34.6	n/a	n/a	n/a	n/a	n/a	6.5	37
University of British Columbia					Assay Description The ability of the compounds prepared in this study to inhibit purified recombinant human IDO was evaluated with a steady state spectrophotometric as...				J Med Chem 51: 2634-7 (2008) Article DOI: 10.1021/jm800143h BindingDB Entry DOI: 10.7270/Q2MK6B65
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM21977 (Tryptamine quinone, 13 | benzyl N-{2-[5-(1,3-dioxo...) Show SMILES O=C(NCCc1c[nH]c2c1C(=O)C(=CC2=O)C1(C(=O)c2ccccc2C1=O)c1ccccc1)OCc1ccccc1 |c:13| Show InChI InChI=1S/C33H24N2O6/c36-26-17-25(33(22-11-5-2-6-12-22)30(38)23-13-7-8-14-24(23)31(33)39)29(37)27-21(18-35-28(26)27)15-16-34-32(40)41-19-20-9-3-1-4-10-20/h1-14,17-18,35H,15-16,19H2,(H,34,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.09E+4	-29.5	n/a	n/a	n/a	n/a	n/a	6.5	37
University of British Columbia					Assay Description The ability of the compounds prepared in this study to inhibit purified recombinant human IDO was evaluated with a steady state spectrophotometric as...				J Med Chem 51: 2634-7 (2008) Article DOI: 10.1021/jm800143h BindingDB Entry DOI: 10.7270/Q2MK6B65
					More data for this Ligand-Target Pair
Indoleamine 2,3-dioxygenase 1 (Homo sapiens (Human))	BDBM21973 (1-Methyltryptophan, 1 | 2-amino-3-(1-methyl-1H-ind...) Show SMILES Cn1cc(CC(N)C(O)=O)c2ccccc12 Show InChI InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.20E+4	-25.0	n/a	n/a	n/a	n/a	n/a	6.5	37
University of British Columbia					Assay Description The ability of the compounds prepared in this study to inhibit purified recombinant human IDO was evaluated with a steady state spectrophotometric as...				J Med Chem 51: 2634-7 (2008) Article DOI: 10.1021/jm800143h BindingDB Entry DOI: 10.7270/Q2MK6B65
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50533742 (CHEMBL4593786) Show SMILES Cl.Cn1cc(nn1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(cc2Cl)C(F)(F)F)CCC(F)(F)CC1 Show InChI InChI=1S/C22H26ClF5N6O3S/c1-32-13-18(30-31-32)38(36,37)34-10-8-33(9-11-34)20(4-6-21(24,25)7-5-20)14-29-19(35)16-3-2-15(12-17(16)23)22(26,27)28/h2-3,12-13H,4-11,14H2,1H3,(H,29,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.671	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...				J Med Chem 59: 8473-94 (2016) Article DOI: 10.1021/acs.jmedchem.6b00914 BindingDB Entry DOI: 10.7270/Q23R0XC7
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50533732 (CHEMBL4526580) Show SMILES Cl.Cn1cc(nn1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(Cl)cccc2OC(F)(F)F)CCC(F)(F)CC1 Show InChI InChI=1S/C22H26ClF5N6O4S/c1-32-13-17(30-31-32)39(36,37)34-11-9-33(10-12-34)20(5-7-21(24,25)8-6-20)14-29-19(35)18-15(23)3-2-4-16(18)38-22(26,27)28/h2-4,13H,5-12,14H2,1H3,(H,29,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.726	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...				J Med Chem 59: 8473-94 (2016) Article DOI: 10.1021/acs.jmedchem.6b00914 BindingDB Entry DOI: 10.7270/Q23R0XC7
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50533748 (CHEMBL4468117) Show SMILES Cl.Cn1cc(nn1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(cc2C(F)(F)F)C(F)(F)F)CCC(F)(F)CC1 Show InChI InChI=1S/C23H26F8N6O3S/c1-35-13-18(33-34-35)41(39,40)37-10-8-36(9-11-37)20(4-6-21(24,25)7-5-20)14-32-19(38)16-3-2-15(22(26,27)28)12-17(16)23(29,30)31/h2-3,12-13H,4-11,14H2,1H3,(H,32,38)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.733	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...				J Med Chem 59: 8473-94 (2016) Article DOI: 10.1021/acs.jmedchem.6b00914 BindingDB Entry DOI: 10.7270/Q23R0XC7
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-1B (Homo sapiens (Human))	BDBM50262079 (4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human ALK6 using casein as substrate in presence of 10 uM ATP by radiometric kinase assay				J Med Chem 60: 1495-1508 (2017) Article DOI: 10.1021/acs.jmedchem.6b01679 BindingDB Entry DOI: 10.7270/Q2TQ63S4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50533727 (CHEMBL4456392) Show SMILES Cl.Cn1cc(nn1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(F)cc2Cl)CCC(F)(F)CC1 Show InChI InChI=1S/C21H26ClF3N6O3S/c1-29-13-18(27-28-29)35(33,34)31-10-8-30(9-11-31)20(4-6-21(24,25)7-5-20)14-26-19(32)16-3-2-15(23)12-17(16)22/h2-3,12-13H,4-11,14H2,1H3,(H,26,32)	PDB KEGG UniProtKB/SwissProt DrugBank 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
AMRI Curated by ChEMBL					Assay Description Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...				J Med Chem 59: 8473-94 (2016) Article DOI: 10.1021/acs.jmedchem.6b00914 BindingDB Entry DOI: 10.7270/Q23R0XC7
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM50413752 (CHEMBL2012519 | L-783277) Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,14,20,22H,3-8H2,1-2H3/t11-,14?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human FLT4 using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP by scintillation counting method				J Med Chem 60: 1495-1508 (2017) Article DOI: 10.1021/acs.jmedchem.6b01679 BindingDB Entry DOI: 10.7270/Q2TQ63S4
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50533730 (CHEMBL4582587) Show SMILES Cl.Cn1cc(nn1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(Cl)cc2Cl)CCC(F)(F)CC1 Show InChI InChI=1S/C21H26Cl2F2N6O3S/c1-29-13-18(27-28-29)35(33,34)31-10-8-30(9-11-31)20(4-6-21(24,25)7-5-20)14-26-19(32)16-3-2-15(22)12-17(16)23/h2-3,12-13H,4-11,14H2,1H3,(H,26,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
AMRI Curated by ChEMBL					Assay Description Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...				J Med Chem 59: 8473-94 (2016) Article DOI: 10.1021/acs.jmedchem.6b00914 BindingDB Entry DOI: 10.7270/Q23R0XC7
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50533749 (CHEMBL4516089) Show SMILES Cl.Cn1cc(nn1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(Cl)cccc2Cl)CCC(F)(F)CC1 Show InChI InChI=1S/C21H26Cl2F2N6O3S/c1-29-13-17(27-28-29)35(33,34)31-11-9-30(10-12-31)20(5-7-21(24,25)8-6-20)14-26-19(32)18-15(22)3-2-4-16(18)23/h2-4,13H,5-12,14H2,1H3,(H,26,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
AMRI Curated by ChEMBL					Assay Description Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...				J Med Chem 59: 8473-94 (2016) Article DOI: 10.1021/acs.jmedchem.6b00914 BindingDB Entry DOI: 10.7270/Q23R0XC7
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50533725 (CHEMBL4579165) Show SMILES Cl.Cn1cc(nn1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(Cl)cc2Cl)CCCCC1 Show InChI InChI=1S/C21H28Cl2N6O3S/c1-27-14-19(25-26-27)33(31,32)29-11-9-28(10-12-29)21(7-3-2-4-8-21)15-24-20(30)17-6-5-16(22)13-18(17)23/h5-6,13-14H,2-4,7-12,15H2,1H3,(H,24,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...				J Med Chem 59: 8473-94 (2016) Article DOI: 10.1021/acs.jmedchem.6b00914 BindingDB Entry DOI: 10.7270/Q23R0XC7
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50533723 (CHEMBL4572086) Show SMILES Cl.Cn1cnc(c1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(Cl)cccc2OC(F)(F)F)CCC(F)(F)CC1 Show InChI InChI=1S/C23H27ClF5N5O4S/c1-32-13-18(31-15-32)39(36,37)34-11-9-33(10-12-34)21(5-7-22(25,26)8-6-21)14-30-20(35)19-16(24)3-2-4-17(19)38-23(27,28)29/h2-4,13,15H,5-12,14H2,1H3,(H,30,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...				J Med Chem 59: 8473-94 (2016) Article DOI: 10.1021/acs.jmedchem.6b00914 BindingDB Entry DOI: 10.7270/Q23R0XC7
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50413752 (CHEMBL2012519 | L-783277) Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,14,20,22H,3-8H2,1-2H3/t11-,14?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human FLT3 using EAIYAAPFAKKK peptide as substrate in presence of [gamma-33P]-ATP by scintillation counting method				J Med Chem 60: 1495-1508 (2017) Article DOI: 10.1021/acs.jmedchem.6b01679 BindingDB Entry DOI: 10.7270/Q2TQ63S4
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50518833 (CHEMBL4528993 | US10829446, Compound 45) Show SMILES Fc1cc(cc(c1)-c1ccccn1)C(=O)NNS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H14FN3O3S/c19-15-11-13(17-8-4-5-9-20-17)10-14(12-15)18(23)21-22-26(24,25)16-6-2-1-3-7-16/h1-12,22H,(H,21,23)	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
Cancer Therapeutics CRC Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 62: 7146-7159 (2019) Article DOI: 10.1021/acs.jmedchem.9b00665 BindingDB Entry DOI: 10.7270/Q26D5XCM
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (attus norvegicus (Rat))	BDBM50457704 (CHEMBL4202565) Show SMILES Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1-c1cccc(F)c1)S(C)(=O)=O Show InChI InChI=1S/C25H21FN4O3S/c1-16-10-20(8-9-27-16)30-14-18-13-29(15-24(18)28-30)25(31)23-12-21(34(2,32)33)6-7-22(23)17-4-3-5-19(26)11-17/h3-12,14H,13,15H2,1-2H3	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
Dart NeuroScience LLC Curated by ChEMBL					Assay Description Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...				J Med Chem 61: 6018-6033 (2018) Article DOI: 10.1021/acs.jmedchem.8b00372 BindingDB Entry DOI: 10.7270/Q2GB26PM
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50533736 (CHEMBL4462009) Show SMILES Cl.Cn1cnc(c1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(Cl)cc2Cl)CCCCC1 Show InChI InChI=1S/C22H29Cl2N5O3S/c1-27-14-20(26-16-27)33(31,32)29-11-9-28(10-12-29)22(7-3-2-4-8-22)15-25-21(30)18-6-5-17(23)13-19(18)24/h5-6,13-14,16H,2-4,7-12,15H2,1H3,(H,25,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...				J Med Chem 59: 8473-94 (2016) Article DOI: 10.1021/acs.jmedchem.6b00914 BindingDB Entry DOI: 10.7270/Q23R0XC7
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-1A (Homo sapiens (Human))	BDBM50262079 (4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human ALK3 using casein as substrate in presence of 10 uM ATP by radiometric kinase assay				J Med Chem 60: 1495-1508 (2017) Article DOI: 10.1021/acs.jmedchem.6b01679 BindingDB Entry DOI: 10.7270/Q2TQ63S4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50533733 (CHEMBL4532784) Show SMILES Cl.Cn1cnc(c1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(cc2Cl)C(F)(F)F)CCC(F)(F)CC1 Show InChI InChI=1S/C23H27ClF5N5O3S/c1-32-13-19(31-15-32)38(36,37)34-10-8-33(9-11-34)21(4-6-22(25,26)7-5-21)14-30-20(35)17-3-2-16(12-18(17)24)23(27,28)29/h2-3,12-13,15H,4-11,14H2,1H3,(H,30,35)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...				J Med Chem 59: 8473-94 (2016) Article DOI: 10.1021/acs.jmedchem.6b00914 BindingDB Entry DOI: 10.7270/Q23R0XC7
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (attus norvegicus (Rat))	BDBM50457706 (CHEMBL4216391) Show SMILES CC(C)(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)S(C)(=O)=O Show InChI InChI=1S/C23H24FN3O4S/c1-23(2,3)31-21-10-9-16(32(4,29)30)11-17(21)22(28)26-12-15-13-27(25-19(15)14-26)20-8-6-5-7-18(20)24/h5-11,13H,12,14H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Dart NeuroScience LLC Curated by ChEMBL					Assay Description Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...				J Med Chem 61: 6018-6033 (2018) Article DOI: 10.1021/acs.jmedchem.8b00372 BindingDB Entry DOI: 10.7270/Q2GB26PM
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (attus norvegicus (Rat))	BDBM50457693 (CHEMBL4218366) Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)S(C)(=O)=O)C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O4S/c1-13-8-16(6-7-26-13)29-11-15-10-28(12-19(15)27-29)21(30)18-9-17(34(3,31)32)4-5-20(18)33-14(2)22(23,24)25/h4-9,11,14H,10,12H2,1-3H3/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Dart NeuroScience LLC Curated by ChEMBL					Assay Description Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...				J Med Chem 61: 6018-6033 (2018) Article DOI: 10.1021/acs.jmedchem.8b00372 BindingDB Entry DOI: 10.7270/Q2GB26PM
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM30130 (CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...) Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells				Bioorg Med Chem Lett 20: 5567-71 (2010) Article DOI: 10.1016/j.bmcl.2010.07.021 BindingDB Entry DOI: 10.7270/Q24F1RQ7
					More data for this Ligand-Target Pair
Activin receptor type-1 (Homo sapiens (Human))	BDBM50262079 (4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyri...) Show SMILES C1CN(CCN1)c1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12 Show InChI InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human ALK2 using casein as substrate in presence of 10 uM ATP by radiometric kinase assay				J Med Chem 60: 1495-1508 (2017) Article DOI: 10.1021/acs.jmedchem.6b01679 BindingDB Entry DOI: 10.7270/Q2TQ63S4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent glycine transporter 1 (attus norvegicus (Rat))	BDBM50457695 (CHEMBL4217712) Show SMILES Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1N1CCC(F)(F)CC1)S(C)(=O)=O Show InChI InChI=1S/C24H25F2N5O3S/c1-16-11-18(5-8-27-16)31-14-17-13-30(15-21(17)28-31)23(32)20-12-19(35(2,33)34)3-4-22(20)29-9-6-24(25,26)7-10-29/h3-5,8,11-12,14H,6-7,9-10,13,15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Dart NeuroScience LLC Curated by ChEMBL					Assay Description Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...				J Med Chem 61: 6018-6033 (2018) Article DOI: 10.1021/acs.jmedchem.8b00372 BindingDB Entry DOI: 10.7270/Q2GB26PM
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (attus norvegicus (Rat))	BDBM50457685 (CHEMBL4210484) Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1)S(C)(=O)=O)C(F)(F)F |r| Show InChI InChI=1S/C22H20F3N3O4S/c1-14(22(23,24)25)32-20-9-8-17(33(2,30)31)10-18(20)21(29)27-11-15-12-28(26-19(15)13-27)16-6-4-3-5-7-16/h3-10,12,14H,11,13H2,1-2H3/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Dart NeuroScience LLC Curated by ChEMBL					Assay Description Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...				J Med Chem 61: 6018-6033 (2018) Article DOI: 10.1021/acs.jmedchem.8b00372 BindingDB Entry DOI: 10.7270/Q2GB26PM
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (attus norvegicus (Rat))	BDBM50457694 (CHEMBL4211535) Show SMILES Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1N1CCC(F)(F)CC1)C#N Show InChI InChI=1S/C24H22F2N6O/c1-16-10-19(4-7-28-16)32-14-18-13-31(15-21(18)29-32)23(33)20-11-17(12-27)2-3-22(20)30-8-5-24(25,26)6-9-30/h2-4,7,10-11,14H,5-6,8-9,13,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Dart NeuroScience LLC Curated by ChEMBL					Assay Description Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...				J Med Chem 61: 6018-6033 (2018) Article DOI: 10.1021/acs.jmedchem.8b00372 BindingDB Entry DOI: 10.7270/Q2GB26PM
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50457704 (CHEMBL4202565) Show SMILES Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1-c1cccc(F)c1)S(C)(=O)=O Show InChI InChI=1S/C25H21FN4O3S/c1-16-10-20(8-9-27-16)30-14-18-13-29(15-24(18)28-30)25(31)23-12-21(34(2,32)33)6-7-22(23)17-4-3-5-19(26)11-17/h3-12,14H,13,15H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Dart NeuroScience LLC Curated by ChEMBL					Assay Description Inhibition of recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...				J Med Chem 61: 6018-6033 (2018) Article DOI: 10.1021/acs.jmedchem.8b00372 BindingDB Entry DOI: 10.7270/Q2GB26PM
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (attus norvegicus (Rat))	BDBM50457692 (CHEMBL4211012) Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)S(C)(=O)=O)C(F)(F)F |r| Show InChI InChI=1S/C22H19F4N3O4S/c1-13(22(24,25)26)33-20-8-7-15(34(2,31)32)9-16(20)21(30)28-10-14-11-29(27-18(14)12-28)19-6-4-3-5-17(19)23/h3-9,11,13H,10,12H2,1-2H3/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Dart NeuroScience LLC Curated by ChEMBL					Assay Description Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...				J Med Chem 61: 6018-6033 (2018) Article DOI: 10.1021/acs.jmedchem.8b00372 BindingDB Entry DOI: 10.7270/Q2GB26PM
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (attus norvegicus (Rat))	BDBM50457689 (CHEMBL4206403) Show SMILES CCS(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C23H23F3N4O4S/c1-4-35(32,33)18-5-6-21(34-15(3)23(24,25)26)19(10-18)22(31)29-11-16-12-30(28-20(16)13-29)17-7-8-27-14(2)9-17/h5-10,12,15H,4,11,13H2,1-3H3/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Dart NeuroScience LLC Curated by ChEMBL					Assay Description Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...				J Med Chem 61: 6018-6033 (2018) Article DOI: 10.1021/acs.jmedchem.8b00372 BindingDB Entry DOI: 10.7270/Q2GB26PM
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50427184 (CHEMBL2324479) Show SMILES CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(OC)cc(cc2C(F)(F)F)C(F)(F)F)CCCCC1 Show InChI InChI=1S/C24H33F6N3O4S/c1-3-13-38(35,36)33-11-9-32(10-12-33)22(7-5-4-6-8-22)16-31-21(34)20-18(24(28,29)30)14-17(23(25,26)27)15-19(20)37-2/h14-15H,3-13,16H2,1-2H3,(H,31,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of GlyT1a in human JAR cells assessed as inhibition of [3H]glycine uptake by scintillation proximity assay				Bioorg Med Chem Lett 23: 1257-61 (2013) Article DOI: 10.1016/j.bmcl.2013.01.006 BindingDB Entry DOI: 10.7270/Q2WH2RB6
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527224 (CHEMBL4468833 | US10829446, Compound 48) Show SMILES COc1cc(cc(c1)-c1ccccn1)C(=O)NNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C19H16FN3O4S/c1-27-15-11-13(17-7-4-5-9-21-17)10-14(12-15)19(24)22-23-28(25,26)18-8-3-2-6-16(18)20/h2-12,23H,1H3,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (attus norvegicus (Rat))	BDBM50543922 (CHEMBL4640428) Show SMILES COc1c(ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1CC(C1)c1ncc(cc1Cl)C(F)(F)F)S(C)(=O)=O |r| Show InChI InChI=1S/C21H19ClF6N2O5S/c1-10(20(23,24)25)35-14-4-5-15(36(3,32)33)18(34-2)16(14)19(31)30-8-11(9-30)17-13(22)6-12(7-29-17)21(26,27)28/h4-7,10-11H,8-9H2,1-3H3/t10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience Curated by ChEMBL					Assay Description Inhibition of GlyT1 in rat primary cortical neurons assessed as reduction in radiolabeled glycine uptake by scintillation proximity assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127214 BindingDB Entry DOI: 10.7270/Q29027C0
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50533752 (CHEMBL4573115) Show SMILES Cl.Cn1cnc(c1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(F)cc2Cl)CCC(F)(F)CC1 Show InChI InChI=1S/C22H27ClF3N5O3S/c1-29-13-19(28-15-29)35(33,34)31-10-8-30(9-11-31)21(4-6-22(25,26)7-5-21)14-27-20(32)17-3-2-16(24)12-18(17)23/h2-3,12-13,15H,4-11,14H2,1H3,(H,27,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...				J Med Chem 59: 8473-94 (2016) Article DOI: 10.1021/acs.jmedchem.6b00914 BindingDB Entry DOI: 10.7270/Q23R0XC7
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50533743 (CHEMBL4555741) Show SMILES Cl.Cn1cc(nn1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(F)cccc2F)CCC(F)(F)CC1 Show InChI InChI=1S/C21H26F4N6O3S/c1-29-13-17(27-28-29)35(33,34)31-11-9-30(10-12-31)20(5-7-21(24,25)8-6-20)14-26-19(32)18-15(22)3-2-4-16(18)23/h2-4,13H,5-12,14H2,1H3,(H,26,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...				J Med Chem 59: 8473-94 (2016) Article DOI: 10.1021/acs.jmedchem.6b00914 BindingDB Entry DOI: 10.7270/Q23R0XC7
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50533734 (CHEMBL4439865) Show SMILES Cl.Cn1cnc(c1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2ccc(Cl)cc2Cl)CCC(F)(F)CC1 Show InChI InChI=1S/C22H27Cl2F2N5O3S/c1-29-13-19(28-15-29)35(33,34)31-10-8-30(9-11-31)21(4-6-22(25,26)7-5-21)14-27-20(32)17-3-2-16(23)12-18(17)24/h2-3,12-13,15H,4-11,14H2,1H3,(H,27,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...				J Med Chem 59: 8473-94 (2016) Article DOI: 10.1021/acs.jmedchem.6b00914 BindingDB Entry DOI: 10.7270/Q23R0XC7
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527244 (CHEMBL4437798 | US10829446, Compound 105) Show SMILES Fc1ccccc1S(=O)(=O)NNC(=O)c1cc(Cl)cc(c1)-c1ccco1 Show InChI InChI=1S/C17H12ClFN2O4S/c18-13-9-11(15-5-3-7-25-15)8-12(10-13)17(22)20-21-26(23,24)16-6-2-1-4-14(16)19/h1-10,21H,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50533750 (CHEMBL4475426) Show SMILES Cl.Cn1cnc(c1)S(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(Cl)cccc2Cl)CCC(F)(F)CC1 Show InChI InChI=1S/C22H27Cl2F2N5O3S/c1-29-13-18(28-15-29)35(33,34)31-11-9-30(10-12-31)21(5-7-22(25,26)8-6-21)14-27-20(32)19-16(23)3-2-4-17(19)24/h2-4,13,15H,5-12,14H2,1H3,(H,27,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of glycine transporter-1B in human JAR cells assessed as reduction in [14C]glycine uptake preincubated for 10 mins followed by [14C]glycin...				J Med Chem 59: 8473-94 (2016) Article DOI: 10.1021/acs.jmedchem.6b00914 BindingDB Entry DOI: 10.7270/Q23R0XC7
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50457703 (CHEMBL4214250) Show SMILES CS(=O)(=O)c1ccc(-c2cccc(F)c2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1 Show InChI InChI=1S/C24H18F2N4O3S/c1-34(32,33)20-5-6-21(15-3-2-4-17(25)7-15)22(9-20)24(31)29-12-16-13-30(28-23(16)14-29)19-8-18(26)10-27-11-19/h2-11,13H,12,14H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Dart NeuroScience LLC Curated by ChEMBL					Assay Description Inhibition of recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...				J Med Chem 61: 6018-6033 (2018) Article DOI: 10.1021/acs.jmedchem.8b00372 BindingDB Entry DOI: 10.7270/Q2GB26PM
					More data for this Ligand-Target Pair
Histone acetyltransferase KAT6A [507-778] (Homo sapiens)	BDBM50527381 (CHEMBL4466823 | US10829446, Compound 41) Show SMILES Fc1ccccc1S(=O)(=O)NNC(=O)c1cccc(c1)-c1ccccn1 Show InChI InChI=1S/C18H14FN3O3S/c19-15-8-1-2-10-17(15)26(24,25)22-21-18(23)14-7-5-6-13(12-14)16-9-3-4-11-20-16/h1-12,22H,(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of N-terminal NusA-fused His6-tagged human KAT6A (507 to 778 residues) expressed in Escherichia coli BL21 (DE3) cells using 0.4 uM acetyl ...				J Med Chem 63: 4655-4684 (2020) Article DOI: 10.1021/acs.jmedchem.9b02071 BindingDB Entry DOI: 10.7270/Q2W66Q7V
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50427183 (CHEMBL2324480) Show SMILES CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(OC)cc(F)cc2SC)CCCCC1 Show InChI InChI=1S/C23H36FN3O4S2/c1-4-14-33(29,30)27-12-10-26(11-13-27)23(8-6-5-7-9-23)17-25-22(28)21-19(31-2)15-18(24)16-20(21)32-3/h15-16H,4-14,17H2,1-3H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of GlyT1a in human JAR cells assessed as inhibition of [3H]glycine uptake by scintillation proximity assay				Bioorg Med Chem Lett 23: 1257-61 (2013) Article DOI: 10.1016/j.bmcl.2013.01.006 BindingDB Entry DOI: 10.7270/Q2WH2RB6
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50413752 (CHEMBL2012519 | L-783277) Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r| Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,14,20,22H,3-8H2,1-2H3/t11-,14?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of human KDR using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP by scintillation counting method				J Med Chem 60: 1495-1508 (2017) Article DOI: 10.1021/acs.jmedchem.6b01679 BindingDB Entry DOI: 10.7270/Q2TQ63S4
					More data for this Ligand-Target Pair

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