Compile Data Set for Download or QSAR

Found 317 hits with Last Name = 'xiong' 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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50130293 (7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...) Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50241119 (7-(4-Biphenyl-3-ylmethyl-piperazin-1-yl)-3H-benzoo...) Show SMILES O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4ccccc4)CC3)c2o1 Show InChI InChI=1S/C24H23N3O2/c28-24-25-21-10-5-11-22(23(21)29-24)27-14-12-26(13-15-27)17-18-6-4-9-20(16-18)19-7-2-1-3-8-19/h1-11,16H,12-15,17H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426674 (CHEMBL2326472) Show SMILES Cn1cc(CN2CCc3cc4nc(N)sc4cc3CC2)cn1 Show InChI InChI=1S/C16H19N5S/c1-20-9-11(8-18-20)10-21-4-2-12-6-14-15(22-16(17)19-14)7-13(12)3-5-21/h6-9H,2-5,10H2,1H3,(H2,17,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426661 (CHEMBL2326480) Show SMILES COc1cccc(CN2CCc3cc4nc(N)sc4cc3CC2)c1 Show InChI InChI=1S/C19H21N3OS/c1-23-16-4-2-3-13(9-16)12-22-7-5-14-10-17-18(24-19(20)21-17)11-15(14)6-8-22/h2-4,9-11H,5-8,12H2,1H3,(H2,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426679 (CHEMBL2326485) Show SMILES Nc1nc2cc3CCN(Cc4ccncc4)CCc3cc2s1 Show InChI InChI=1S/C17H18N4S/c18-17-20-15-9-13-3-7-21(11-12-1-5-19-6-2-12)8-4-14(13)10-16(15)22-17/h1-2,5-6,9-10H,3-4,7-8,11H2,(H2,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426659 (CHEMBL2326482) Show SMILES CN(C)C(=O)c1cccc(CN2CCc3cc4nc(N)sc4cc3CC2)c1 Show InChI InChI=1S/C21H24N4OS/c1-24(2)20(26)17-5-3-4-14(10-17)13-25-8-6-15-11-18-19(27-21(22)23-18)12-16(15)7-9-25/h3-5,10-12H,6-9,13H2,1-2H3,(H2,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426663 (CHEMBL2326478) Show SMILES Nc1nc2cc3CCN(Cc4cccc(F)c4)CCc3cc2s1 Show InChI InChI=1S/C18H18FN3S/c19-15-3-1-2-12(8-15)11-22-6-4-13-9-16-17(23-18(20)21-16)10-14(13)5-7-22/h1-3,8-10H,4-7,11H2,(H2,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426660 (CHEMBL2326481) Show SMILES CN(C)C(=O)c1ccc(CN2CCc3cc4nc(N)sc4cc3CC2)cc1 Show InChI InChI=1S/C21H24N4OS/c1-24(2)20(26)15-5-3-14(4-6-15)13-25-9-7-16-11-18-19(27-21(22)23-18)12-17(16)8-10-25/h3-6,11-12H,7-10,13H2,1-2H3,(H2,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426664 (CHEMBL2326477) Show SMILES Nc1nc2cc3CCN(Cc4ccc(F)cc4)CCc3cc2s1 Show InChI InChI=1S/C18H18FN3S/c19-15-3-1-12(2-4-15)11-22-7-5-13-9-16-17(23-18(20)21-16)10-14(13)6-8-22/h1-4,9-10H,5-8,11H2,(H2,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426665 (CHEMBL2326476) Show SMILES Nc1nc2cc3CCN(Cc4ccccc4)CCc3cc2s1 Show InChI InChI=1S/C18H19N3S/c19-18-20-16-10-14-6-8-21(12-13-4-2-1-3-5-13)9-7-15(14)11-17(16)22-18/h1-5,10-11H,6-9,12H2,(H2,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426662 (CHEMBL2326479) Show SMILES COc1ccc(CN2CCc3cc4nc(N)sc4cc3CC2)cc1 Show InChI InChI=1S/C19H21N3OS/c1-23-16-4-2-13(3-5-16)12-22-8-6-14-10-17-18(24-19(20)21-17)11-15(14)7-9-22/h2-5,10-11H,6-9,12H2,1H3,(H2,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426682 (CHEMBL2326486) Show SMILES CCN[C@@H]1Cc2cc3nc(N)sc3cc2C1 |r| Show InChI InChI=1S/C12H15N3S/c1-2-14-9-3-7-5-10-11(6-8(7)4-9)16-12(13)15-10/h5-6,9,14H,2-4H2,1H3,(H2,13,15)/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426680 (CHEMBL2326484) Show SMILES Nc1nc2cc3CCN(Cc4cccnc4)CCc3cc2s1 Show InChI InChI=1S/C17H18N4S/c18-17-20-15-8-13-3-6-21(11-12-2-1-5-19-10-12)7-4-14(13)9-16(15)22-17/h1-2,5,8-10H,3-4,6-7,11H2,(H2,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50156071 (3-Cyano-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide...) Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N Show InChI InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]-MPEP from human mGluR5				Bioorg Med Chem Lett 20: 7381-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.036 BindingDB Entry DOI: 10.7270/Q27S7P13
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426678 (CHEMBL2326468) Show SMILES Nc1nc2cc3CCN(Cc4cnco4)CCc3cc2s1 Show InChI InChI=1S/C15H16N4OS/c16-15-18-13-5-10-1-3-19(8-12-7-17-9-20-12)4-2-11(10)6-14(13)21-15/h5-7,9H,1-4,8H2,(H2,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426673 (CHEMBL2326473) Show SMILES Cn1ccc(CN2CCc3cc4nc(N)sc4cc3CC2)n1 Show InChI InChI=1S/C16H19N5S/c1-20-5-4-13(19-20)10-21-6-2-11-8-14-15(22-16(17)18-14)9-12(11)3-7-21/h4-5,8-9H,2-3,6-7,10H2,1H3,(H2,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426677 (CHEMBL2326469) Show SMILES Nc1nc2cc3CCN(Cc4cscn4)CCc3cc2s1 Show InChI InChI=1S/C15H16N4S2/c16-15-18-13-5-10-1-3-19(7-12-8-20-9-17-12)4-2-11(10)6-14(13)21-15/h5-6,8-9H,1-4,7H2,(H2,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426676 (CHEMBL2326470) Show SMILES Nc1nc2cc3CCN(Cc4cnc[nH]4)CCc3cc2s1 Show InChI InChI=1S/C15H17N5S/c16-15-19-13-5-10-1-3-20(8-12-7-17-9-18-12)4-2-11(10)6-14(13)21-15/h5-7,9H,1-4,8H2,(H2,16,19)(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426667 (CHEMBL2326474) Show SMILES Nc1nc2cc3CCN(CCO)CCc3cc2s1 Show InChI InChI=1S/C13H17N3OS/c14-13-15-11-7-9-1-3-16(5-6-17)4-2-10(9)8-12(11)18-13/h7-8,17H,1-6H2,(H2,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426670 (CHEMBL2326490) Show SMILES Nc1nc2cc3CCN(CCc3cc2s1)C1CC1 Show InChI InChI=1S/C14H17N3S/c15-14-16-12-7-9-3-5-17(11-1-2-11)6-4-10(9)8-13(12)18-14/h7-8,11H,1-6H2,(H2,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426672 (CHEMBL2326488) Show SMILES CN1CCc2cc3nc(N)sc3cc2CC1 Show InChI InChI=1S/C12H15N3S/c1-15-4-2-8-6-10-11(16-12(13)14-10)7-9(8)3-5-15/h6-7H,2-5H2,1H3,(H2,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50331975 (1-(4-(2-chloro-4-fluorophenyl)piperazin-1-yl)-2-(p...) Show SMILES Fc1ccc(N2CCN(CC2)C(=O)COCc2ccncc2)c(Cl)c1 Show InChI InChI=1S/C18H19ClFN3O2/c19-16-11-15(20)1-2-17(16)22-7-9-23(10-8-22)18(24)13-25-12-14-3-5-21-6-4-14/h1-6,11H,7-10,12-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]-MPEP from human mGluR5				Bioorg Med Chem Lett 20: 7381-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.036 BindingDB Entry DOI: 10.7270/Q27S7P13
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426671 (CHEMBL2326489) Show SMILES CCN1CCc2cc3nc(N)sc3cc2CC1 Show InChI InChI=1S/C13H17N3S/c1-2-16-5-3-9-7-11-12(17-13(14)15-11)8-10(9)4-6-16/h7-8H,2-6H2,1H3,(H2,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426681 (CHEMBL2326487) Show SMILES Nc1nc2cc3CCNCCc3cc2s1 Show InChI InChI=1S/C11H13N3S/c12-11-14-9-5-7-1-3-13-4-2-8(7)6-10(9)15-11/h5-6,13H,1-4H2,(H2,12,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426666 (CHEMBL2326475) Show SMILES Nc1nc2cc3CCN(CCc3cc2s1)C(=O)c1ccccc1 Show InChI InChI=1S/C18H17N3OS/c19-18-20-15-10-13-6-8-21(9-7-14(13)11-16(15)23-18)17(22)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H2,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426668 (CHEMBL2326492) Show SMILES CN(C)C(=O)CN1CCc2cc3nc(N)sc3cc2CC1 Show InChI InChI=1S/C15H20N4OS/c1-18(2)14(20)9-19-5-3-10-7-12-13(21-15(16)17-12)8-11(10)4-6-19/h7-8H,3-6,9H2,1-2H3,(H2,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426675 (CHEMBL2326471) Show SMILES Nc1nc2cc3CCN(Cc4ncon4)CCc3cc2s1 Show InChI InChI=1S/C14H15N5OS/c15-14-17-11-5-9-1-3-19(7-13-16-8-20-18-13)4-2-10(9)6-12(11)21-14/h5-6,8H,1-4,7H2,(H2,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426658 (CHEMBL2326483) Show SMILES Nc1nc2cc3CCN(Cc4ccccn4)CCc3cc2s1 Show InChI InChI=1S/C17H18N4S/c18-17-20-15-9-12-4-7-21(11-14-3-1-2-6-19-14)8-5-13(12)10-16(15)22-17/h1-3,6,9-10H,4-5,7-8,11H2,(H2,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50426669 (CHEMBL2326491) Show SMILES Nc1nc2cc3CCN(CC(F)(F)F)CCc3cc2s1 Show InChI InChI=1S/C13H14F3N3S/c14-13(15,16)7-19-3-1-8-5-10-11(20-12(17)18-10)6-9(8)2-4-19/h5-6H,1-4,7H2,(H2,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50460344 (CHEMBL4228859) Show SMILES CN1CC2CCC1(CC2)[C@H](NC(=O)c1c(C)cccc1C)c1ccccc1 |r,wU:9.11,(15.28,-15.58,;15.28,-14.06,;13.95,-13.3,;13.95,-11.76,;15.28,-10.98,;16.61,-11.76,;16.61,-13.3,;16.01,-11.99,;14.93,-13.08,;17.93,-14.07,;17.93,-15.61,;19.26,-16.38,;20.6,-15.61,;19.26,-17.93,;17.92,-18.69,;16.6,-17.92,;17.92,-20.24,;19.26,-21.01,;20.6,-20.23,;20.6,-18.69,;21.92,-17.92,;19.27,-13.3,;20.6,-14.07,;21.94,-13.3,;21.94,-11.76,;20.6,-10.98,;19.26,-11.76,)| Show InChI InChI=1S/C24H30N2O/c1-17-8-7-9-18(2)21(17)23(27)25-22(20-10-5-4-6-11-20)24-14-12-19(13-15-24)16-26(24)3/h4-11,19,22H,12-16H2,1-3H3,(H,25,27)/t19?,22-,24?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci...				Bioorg Med Chem Lett 28: 1043-1049 (2018) Article DOI: 10.1016/j.bmcl.2018.02.029 BindingDB Entry DOI: 10.7270/Q26112ZK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50460371 (CHEMBL4228975) Show SMILES CC(C)N1C2CCC1(CC2)C(NC(=O)c1c(C)cccc1C)c1ccccc1 |TLB:1:3:5.6:8.9| Show InChI InChI=1S/C25H32N2O/c1-17(2)27-21-13-15-25(27,16-14-21)23(20-11-6-5-7-12-20)26-24(28)22-18(3)9-8-10-19(22)4/h5-12,17,21,23H,13-16H2,1-4H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci...				Bioorg Med Chem Lett 28: 1043-1049 (2018) Article DOI: 10.1016/j.bmcl.2018.02.029 BindingDB Entry DOI: 10.7270/Q26112ZK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50460368 (CHEMBL4226039) Show SMILES CN1CC2CCC1(CC2)[C@H](NC(=O)c1cccc(Cl)c1Cl)c1ccccc1 |r,wU:9.11,(28.97,-44.71,;28.97,-43.19,;27.64,-42.43,;27.64,-40.9,;28.97,-40.12,;30.29,-40.9,;30.29,-42.43,;29.69,-41.12,;28.61,-42.21,;31.61,-43.2,;31.61,-44.74,;32.95,-45.51,;34.28,-44.74,;32.94,-47.06,;31.61,-47.82,;31.6,-49.36,;32.94,-50.14,;34.28,-49.36,;35.62,-50.12,;34.28,-47.82,;35.61,-47.04,;32.95,-42.43,;34.28,-43.2,;35.62,-42.43,;35.62,-40.89,;34.28,-40.12,;32.95,-40.89,)| Show InChI InChI=1S/C22H24Cl2N2O/c1-26-14-15-10-12-22(26,13-11-15)20(16-6-3-2-4-7-16)25-21(27)17-8-5-9-18(23)19(17)24/h2-9,15,20H,10-14H2,1H3,(H,25,27)/t15?,20-,22?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci...				Bioorg Med Chem Lett 28: 1043-1049 (2018) Article DOI: 10.1016/j.bmcl.2018.02.029 BindingDB Entry DOI: 10.7270/Q26112ZK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50460356 (CHEMBL4224734) Show SMILES CN1CC2CCC1(CC2)C(NC(=O)c1c(C)cccc1C)c1ccncc1 |(37.75,-10.82,;37.75,-9.26,;36.4,-8.49,;36.4,-6.92,;37.75,-6.13,;39.1,-6.92,;39.1,-8.49,;38.49,-7.15,;37.39,-8.26,;40.45,-9.27,;40.45,-10.8,;41.78,-11.58,;43.11,-10.81,;41.78,-13.11,;40.45,-13.87,;39.1,-13.08,;40.44,-15.4,;41.78,-16.18,;43.11,-15.4,;43.1,-13.87,;44.45,-13.09,;41.78,-8.5,;41.78,-6.97,;43.1,-6.2,;44.44,-6.97,;44.44,-8.51,;43.11,-9.27,)| Show InChI InChI=1S/C23H29N3O/c1-16-5-4-6-17(2)20(16)22(27)25-21(19-9-13-24-14-10-19)23-11-7-18(8-12-23)15-26(23)3/h4-6,9-10,13-14,18,21H,7-8,11-12,15H2,1-3H3,(H,25,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci...				Bioorg Med Chem Lett 28: 1043-1049 (2018) Article DOI: 10.1016/j.bmcl.2018.02.029 BindingDB Entry DOI: 10.7270/Q26112ZK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50460377 (CHEMBL4225587) Show SMILES CN1CC2CCC1(CC2)C(NC(=O)c1c(C)cccc1C)c1ccc(cc1)S(=O)(=O)CC1CC1 |(8.01,-25.32,;8.01,-23.77,;6.66,-23,;6.66,-21.44,;8.01,-20.64,;9.36,-21.44,;9.36,-23,;8.75,-21.66,;7.65,-22.77,;10.7,-23.77,;10.7,-25.31,;12.03,-26.08,;13.35,-25.31,;12.03,-27.61,;10.7,-28.36,;9.35,-27.58,;10.69,-29.89,;12.02,-30.67,;13.35,-29.89,;13.35,-28.36,;14.69,-27.58,;12.03,-23.01,;12.02,-21.48,;13.35,-20.72,;14.68,-21.48,;14.68,-23.01,;13.35,-23.78,;16.03,-20.7,;15.24,-19.35,;16.81,-19.35,;17.38,-21.48,;18.72,-20.7,;20.28,-20.69,;19.5,-19.34,)| Show InChI InChI=1S/C28H36N2O3S/c1-19-5-4-6-20(2)25(19)27(31)29-26(28-15-13-21(14-16-28)17-30(28)3)23-9-11-24(12-10-23)34(32,33)18-22-7-8-22/h4-6,9-12,21-22,26H,7-8,13-18H2,1-3H3,(H,29,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci...				Bioorg Med Chem Lett 28: 1043-1049 (2018) Article DOI: 10.1016/j.bmcl.2018.02.029 BindingDB Entry DOI: 10.7270/Q26112ZK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50460357 (CHEMBL4226364) Show SMILES CN1CC2CCC1(CC2)C(NC(=O)c1c(C)cccc1C)c1ccc(C)o1 |(24.77,-10.28,;24.77,-8.72,;23.42,-7.95,;23.42,-6.39,;24.77,-5.59,;26.13,-6.39,;26.13,-7.95,;25.51,-6.61,;24.41,-7.72,;27.48,-8.73,;27.47,-10.26,;28.8,-11.04,;30.13,-10.27,;28.8,-12.57,;27.47,-13.33,;26.12,-12.54,;27.47,-14.86,;28.8,-15.63,;30.13,-14.86,;30.12,-13.33,;31.47,-12.54,;28.8,-7.96,;28.95,-6.44,;30.45,-6.11,;31.22,-7.44,;32.77,-7.6,;30.2,-8.58,)| Show InChI InChI=1S/C23H30N2O2/c1-15-6-5-7-16(2)20(15)22(26)24-21(19-9-8-17(3)27-19)23-12-10-18(11-13-23)14-25(23)4/h5-9,18,21H,10-14H2,1-4H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci...				Bioorg Med Chem Lett 28: 1043-1049 (2018) Article DOI: 10.1016/j.bmcl.2018.02.029 BindingDB Entry DOI: 10.7270/Q26112ZK
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50021574 (BMS-907351 | CABOZANTINIB | CHEBI:72317 | Cabomety...) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC Show InChI InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Technology Curated by ChEMBL					Assay Description Inhibition of c-Met (unknown origin) by caliper mobility shift assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126848 BindingDB Entry DOI: 10.7270/Q2CV4N8M
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50399540 (FORETINIB | US10464902, Foretinib | US10882853, Co...) Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins followed by substrate addition by HTRF assay				Eur J Med Chem 158: 201-213 (2018) Article DOI: 10.1016/j.ejmech.2018.08.066 BindingDB Entry DOI: 10.7270/Q2H134QT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50460353 (CHEMBL4225116) Show SMILES Cc1cccc(C)c1C(=O)NC(c1ccccc1)C12CCC(CC1)N2C1CC1 |TLB:25:24:20.19:23.22| Show InChI InChI=1S/C25H30N2O/c1-17-7-6-8-18(2)22(17)24(28)26-23(19-9-4-3-5-10-19)25-15-13-21(14-16-25)27(25)20-11-12-20/h3-10,20-21,23H,11-16H2,1-2H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci...				Bioorg Med Chem Lett 28: 1043-1049 (2018) Article DOI: 10.1016/j.bmcl.2018.02.029 BindingDB Entry DOI: 10.7270/Q26112ZK
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50467275 (CHEMBL4279457) Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cc5cccnc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C39H36F2N6O5/c1-45-16-18-46(19-17-45)15-4-20-51-36-24-32-29(23-35(36)50-2)33(12-14-42-32)52-34-11-8-27(22-31(34)41)44-38(48)30-21-25-5-3-13-43-37(25)47(39(30)49)28-9-6-26(40)7-10-28/h3,5-14,21-24H,4,15-20H2,1-2H3,(H,44,48)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins followed by substrate addition by HTRF assay				Eur J Med Chem 158: 201-213 (2018) Article DOI: 10.1016/j.ejmech.2018.08.066 BindingDB Entry DOI: 10.7270/Q2H134QT
					More data for this Ligand-Target Pair
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50467280 (CHEMBL4282738) Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cc5cccnc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCCCC1 Show InChI InChI=1S/C39H35F2N5O5/c1-49-35-23-29-32(24-36(35)50-20-6-19-45-17-3-2-4-18-45)42-16-14-33(29)51-34-13-10-27(22-31(34)41)44-38(47)30-21-25-7-5-15-43-37(25)46(39(30)48)28-11-8-26(40)9-12-28/h5,7-16,21-24H,2-4,6,17-20H2,1H3,(H,44,47)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of c-MET (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins followed by substrate addition by HTRF assay				Eur J Med Chem 158: 201-213 (2018) Article DOI: 10.1016/j.ejmech.2018.08.066 BindingDB Entry DOI: 10.7270/Q2H134QT
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50241119 (7-(4-Biphenyl-3-ylmethyl-piperazin-1-yl)-3H-benzoo...) Show SMILES O=c1[nH]c2cccc(N3CCN(Cc4cccc(c4)-c4ccccc4)CC3)c2o1 Show InChI InChI=1S/C24H23N3O2/c28-24-25-21-10-5-11-22(23(21)29-24)27-14-12-26(13-15-27)17-18-6-4-9-20(16-18)19-7-2-1-3-8-19/h1-11,16H,12-15,17H2,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human D2 dopamine receptor expressed in CHO cell membrane by GTPgammaS-binding assay				Bioorg Med Chem Lett 23: 543-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.023 BindingDB Entry DOI: 10.7270/Q2639R2X
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50361575 (CHEMBL1939495) Show SMILES CN1CCCC[C@H]1[C@@H](NC(=O)c1cccc(c1Cl)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C21H22ClF3N2O/c1-27-13-6-5-12-17(27)19(14-8-3-2-4-9-14)26-20(28)15-10-7-11-16(18(15)22)21(23,24)25/h2-4,7-11,17,19H,5-6,12-13H2,1H3,(H,26,28)/t17-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci...				Bioorg Med Chem Lett 28: 1043-1049 (2018) Article DOI: 10.1016/j.bmcl.2018.02.029 BindingDB Entry DOI: 10.7270/Q26112ZK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50460382 (CHEMBL4224768) Show SMILES CSc1ncccc1C(=O)N[C@H](c1ccccc1)C12CCC(CC1)CN2C |r| Show InChI InChI=1S/C22H27N3OS/c1-25-15-16-10-12-22(25,13-11-16)19(17-7-4-3-5-8-17)24-20(26)18-9-6-14-23-21(18)27-2/h3-9,14,16,19H,10-13,15H2,1-2H3,(H,24,26)/t16?,19-,22?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci...				Bioorg Med Chem Lett 28: 1043-1049 (2018) Article DOI: 10.1016/j.bmcl.2018.02.029 BindingDB Entry DOI: 10.7270/Q26112ZK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50460375 (CHEMBL4225641) Show SMILES CCN1CC2CC1(C2)C(NC(=O)c1c(C)cccc1C)c1ccccc1 |(25.68,-27.98,;27.16,-27.5,;27.49,-25.97,;26.44,-24.81,;27.22,-23.46,;28.75,-23.78,;28.91,-25.33,;27.62,-24.96,;30.27,-26.11,;30.27,-27.64,;31.6,-28.42,;32.92,-27.65,;31.6,-29.96,;30.26,-30.71,;28.91,-29.93,;30.26,-32.25,;31.59,-33.03,;32.92,-32.25,;32.92,-30.71,;34.27,-29.93,;31.59,-25.34,;31.59,-23.8,;32.92,-23.04,;34.26,-23.81,;34.26,-25.34,;32.92,-26.11,)| Show InChI InChI=1S/C23H28N2O/c1-4-25-15-18-13-23(25,14-18)21(19-11-6-5-7-12-19)24-22(26)20-16(2)9-8-10-17(20)3/h5-12,18,21H,4,13-15H2,1-3H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci...				Bioorg Med Chem Lett 28: 1043-1049 (2018) Article DOI: 10.1016/j.bmcl.2018.02.029 BindingDB Entry DOI: 10.7270/Q26112ZK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50460354 (CHEMBL4228817) Show SMILES CN1C2CCC1(CC2)C(NC(=O)c1c(C)cccc1C)c1ccccc1 |TLB:0:1:3.4:6.7| Show InChI InChI=1S/C23H28N2O/c1-16-8-7-9-17(2)20(16)22(26)24-21(18-10-5-4-6-11-18)23-14-12-19(13-15-23)25(23)3/h4-11,19,21H,12-15H2,1-3H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci...				Bioorg Med Chem Lett 28: 1043-1049 (2018) Article DOI: 10.1016/j.bmcl.2018.02.029 BindingDB Entry DOI: 10.7270/Q26112ZK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50460355 (CHEMBL4225853) Show SMILES Cc1cccc(C)c1C(=O)NC(c1ccccc1)C12CCC(CC1)CN2 Show InChI InChI=1S/C23H28N2O/c1-16-7-6-8-17(2)20(16)22(26)25-21(19-9-4-3-5-10-19)23-13-11-18(12-14-23)15-24-23/h3-10,18,21,24H,11-15H2,1-2H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci...				Bioorg Med Chem Lett 28: 1043-1049 (2018) Article DOI: 10.1016/j.bmcl.2018.02.029 BindingDB Entry DOI: 10.7270/Q26112ZK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50460346 (CHEMBL4225056) Show SMILES CCN1C2CCC1(CC2)C(NC(=O)c1c(C)cccc1C)c1ccccc1 |TLB:1:2:4.5:7.8| Show InChI InChI=1S/C24H30N2O/c1-4-26-20-13-15-24(26,16-14-20)22(19-11-6-5-7-12-19)25-23(27)21-17(2)9-8-10-18(21)3/h5-12,20,22H,4,13-16H2,1-3H3,(H,25,27)	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci...				Bioorg Med Chem Lett 28: 1043-1049 (2018) Article DOI: 10.1016/j.bmcl.2018.02.029 BindingDB Entry DOI: 10.7270/Q26112ZK
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50467275 (CHEMBL4279457) Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cc5cccnc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C39H36F2N6O5/c1-45-16-18-46(19-17-45)15-4-20-51-36-24-32-29(23-35(36)50-2)33(12-14-42-32)52-34-11-8-27(22-31(34)41)44-38(48)30-21-25-5-3-13-43-37(25)47(39(30)49)28-9-6-26(40)7-10-28/h3,5-14,21-24H,4,15-20H2,1-2H3,(H,44,48)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of PDGFRalpha (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins followed by substrate addition by HTRF assay				Eur J Med Chem 158: 201-213 (2018) Article DOI: 10.1016/j.ejmech.2018.08.066 BindingDB Entry DOI: 10.7270/Q2H134QT
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50467275 (CHEMBL4279457) Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cc5cccnc5n(-c5ccc(F)cc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C39H36F2N6O5/c1-45-16-18-46(19-17-45)15-4-20-51-36-24-32-29(23-35(36)50-2)33(12-14-42-32)52-34-11-8-27(22-31(34)41)44-38(48)30-21-25-5-3-13-43-37(25)47(39(30)49)28-9-6-26(40)7-10-28/h3,5-14,21-24H,4,15-20H2,1-2H3,(H,44,48)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Jiangxi Science & Technology Normal University Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using FAM-labeled peptide as substrate incubated for 10 mins followed by substrate addition by HTRF assay				Eur J Med Chem 158: 201-213 (2018) Article DOI: 10.1016/j.ejmech.2018.08.066 BindingDB Entry DOI: 10.7270/Q2H134QT
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1 (Homo sapiens (Human))	BDBM50460349 (CHEMBL4225613) Show SMILES CN1CC2CCC1(CC2)[C@H](NC(=O)c1ccnc(Cl)c1Cl)c1ccccc1 |r,wU:9.11,(28.99,-44.75,;28.99,-43.22,;27.66,-42.46,;27.66,-40.92,;28.99,-40.15,;30.31,-40.92,;30.31,-42.46,;29.71,-41.15,;28.63,-42.24,;31.63,-43.23,;31.63,-44.77,;32.97,-45.54,;34.31,-44.77,;32.97,-47.09,;31.63,-47.85,;31.63,-49.4,;32.96,-50.17,;34.3,-49.39,;35.64,-50.16,;34.3,-47.85,;35.64,-47.08,;32.97,-42.46,;34.31,-43.23,;35.64,-42.46,;35.65,-40.92,;34.3,-40.14,;32.97,-40.92,)| Show InChI InChI=1S/C21H23Cl2N3O/c1-26-13-14-7-10-21(26,11-8-14)18(15-5-3-2-4-6-15)25-20(27)16-9-12-24-19(23)17(16)22/h2-6,9,12,14,18H,7-8,10-11,13H2,1H3,(H,25,27)/t14?,18-,21?/m1/s1	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci...				Bioorg Med Chem Lett 28: 1043-1049 (2018) Article DOI: 10.1016/j.bmcl.2018.02.029 BindingDB Entry DOI: 10.7270/Q26112ZK
					More data for this Ligand-Target Pair

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