Compile Data Set for Download or QSAR

Found 1047 hits with Last Name = 'mistry' and Initial = 's'   

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
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497553 (CHEMBL3359696) Show SMILES ONC(=O)C(NC(=O)c1ccccc1F)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H15FN4O3/c19-15-5-2-1-4-14(15)17(24)21-16(18(25)22-26)12-6-8-13(9-7-12)23-11-3-10-20-23/h1-11,16,26H,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497551 (CHEMBL3359700) Show SMILES Nc1ccc(cc1)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H17N5O3/c19-14-6-2-13(3-7-14)17(24)21-16(18(25)22-26)12-4-8-15(9-5-12)23-11-1-10-20-23/h1-11,16,26H,19H2,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.0110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497552 (CHEMBL3359698) Show SMILES ONC(=O)C(NC(=O)c1ccc(F)cc1)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H15FN4O3/c19-14-6-2-13(3-7-14)17(24)21-16(18(25)22-26)12-4-8-15(9-5-12)23-11-1-10-20-23/h1-11,16,26H,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497556 (CHEMBL3359699) Show SMILES Nc1cccc(c1)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H17N5O3/c19-14-4-1-3-13(11-14)17(24)21-16(18(25)22-26)12-5-7-15(8-6-12)23-10-2-9-20-23/h1-11,16,26H,19H2,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.0140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497548 (CHEMBL3359691) Show SMILES CCC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C14H16N4O3/c1-2-12(19)16-13(14(20)17-21)10-4-6-11(7-5-10)18-9-3-8-15-18/h3-9,13,21H,2H2,1H3,(H,16,19)(H,17,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497549 (CHEMBL3359690) Show SMILES CC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C13H14N4O3/c1-9(18)15-12(13(19)16-20)10-3-5-11(6-4-10)17-8-2-7-14-17/h2-8,12,20H,1H3,(H,15,18)(H,16,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497543 (CHEMBL3359693) Show SMILES CC(C)(C)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C16H20N4O3/c1-16(2,3)15(22)18-13(14(21)19-23)11-5-7-12(8-6-11)20-10-4-9-17-20/h4-10,13,23H,1-3H3,(H,18,22)(H,19,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.0280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497544 (CHEMBL3359688) Show SMILES CC(C)(C)OC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C16H20N4O4/c1-16(2,3)24-15(22)18-13(14(21)19-23)11-5-7-12(8-6-11)20-10-4-9-17-20/h4-10,13,23H,1-3H3,(H,18,22)(H,19,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497545 (CHEMBL3359697) Show SMILES ONC(=O)C(NC(=O)c1cccc(F)c1)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H15FN4O3/c19-14-4-1-3-13(11-14)17(24)21-16(18(25)22-26)12-5-7-15(8-6-12)23-10-2-9-20-23/h1-11,16,26H,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497547 (CHEMBL3359694) Show SMILES CC(C)(C)NC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C16H21N5O3/c1-16(2,3)19-15(23)18-13(14(22)20-24)11-5-7-12(8-6-11)21-10-4-9-17-21/h4-10,13,24H,1-3H3,(H,20,22)(H2,18,19,23)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530705 (CHEMBL4451384) Show SMILES [H][C@]12CC[C@]([H])(CC(O)(C1)c1ccc(Cl)cc1)N2CCCC(=O)c1ccc(F)cc1 |r,TLB:18:17:2.3:6.7.9| Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2/t20-,21+,23?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0525	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530705 (CHEMBL4451384) Show SMILES [H][C@]12CC[C@]([H])(CC(O)(C1)c1ccc(Cl)cc1)N2CCCC(=O)c1ccc(F)cc1 |r,TLB:18:17:2.3:6.7.9| Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2/t20-,21+,23?	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0525	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497557 (CHEMBL3359692) Show SMILES CC(C)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C15H18N4O3/c1-10(2)14(20)17-13(15(21)18-22)11-4-6-12(7-5-11)19-9-3-8-16-19/h3-10,13,22H,1-2H3,(H,17,20)(H,18,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530680 (CHEMBL4570273) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C21H22Cl2FNO2/c22-18-4-1-3-17(20(18)23)21(27)10-13-25(14-11-21)12-2-5-19(26)15-6-8-16(24)9-7-15/h1,3-4,6-9,27H,2,5,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530680 (CHEMBL4570273) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C21H22Cl2FNO2/c22-18-4-1-3-17(20(18)23)21(27)10-13-25(14-11-21)12-2-5-19(26)15-6-8-16(24)9-7-15/h1,3-4,6-9,27H,2,5,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
M17 leucyl aminopeptidase (Plasmodium falciparum 3D7)	BDBM50497546 (CHEMBL3359695) Show SMILES ONC(=O)C(NC(=O)c1ccccc1)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H16N4O3/c23-17(14-5-2-1-3-6-14)20-16(18(24)21-25)13-7-9-15(10-8-13)22-12-4-11-19-22/h1-12,16,25H,(H,20,23)(H,21,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.154	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M17 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530700 (CHEMBL4544491) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H22Cl2FNO2/c22-18-8-5-16(14-19(18)23)21(27)9-12-25(13-10-21)11-1-2-20(26)15-3-6-17(24)7-4-15/h3-8,14,27H,1-2,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530700 (CHEMBL4544491) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H22Cl2FNO2/c22-18-8-5-16(14-19(18)23)21(27)9-12-25(13-10-21)11-1-2-20(26)15-3-6-17(24)7-4-15/h3-8,14,27H,1-2,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530676 (CHEMBL4528835) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC2C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClFNO/c23-19-7-5-17(6-8-19)22-11-13-25(15-18(22)14-22)12-1-2-21(26)16-3-9-20(24)10-4-16/h3-10,18H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530676 (CHEMBL4528835) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC2C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H23ClFNO/c23-19-7-5-17(6-8-19)22-11-13-25(15-18(22)14-22)12-1-2-21(26)16-3-9-20(24)10-4-16/h3-10,18H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM112780 (US8629135, SW-07) Show SMILES CN(C)CC\C=C1/c2ccccc2COc2ccccc12 Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	0.178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00125 BindingDB Entry DOI: 10.7270/Q29W0KK1
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM112780 (US8629135, SW-07) Show SMILES CN(C)CC\C=C1/c2ccccc2COc2ccccc12 Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	0.178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00125 BindingDB Entry DOI: 10.7270/Q29W0KK1
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530683 (CHEMBL4436610) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H23F4NO2/c23-19-9-3-16(4-10-19)20(28)2-1-13-27-14-11-21(29,12-15-27)17-5-7-18(8-6-17)22(24,25)26/h3-10,29H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.324	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530683 (CHEMBL4436610) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H23F4NO2/c23-19-9-3-16(4-10-19)20(28)2-1-13-27-14-11-21(29,12-15-27)17-5-7-18(8-6-17)22(24,25)26/h3-10,29H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.324	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530682 (CHEMBL4436241) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H22Cl2FNO2/c22-17-12-16(13-18(23)14-17)21(27)7-10-25(11-8-21)9-1-2-20(26)15-3-5-19(24)6-4-15/h3-6,12-14,27H,1-2,7-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.447	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530682 (CHEMBL4436241) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H22Cl2FNO2/c22-17-12-16(13-18(23)14-17)21(27)7-10-25(11-8-21)9-1-2-20(26)15-3-5-19(24)6-4-15/h3-6,12-14,27H,1-2,7-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.447	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	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	0.468	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	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	0.468	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497543 (CHEMBL3359693) Show SMILES CC(C)(C)C(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C16H20N4O3/c1-16(2,3)15(22)18-13(14(21)19-23)11-5-7-12(8-6-11)20-10-4-9-17-20/h4-10,13,23H,1-3H3,(H,18,22)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM81486 (CAS_1050-79-9 | MOPERONE | NSC_4249) Show SMILES Cc1ccc(cc1)C1(O)CCN(CCCC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H26FNO2/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18/h4-11,26H,2-3,12-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.724	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM81486 (CAS_1050-79-9 | MOPERONE | NSC_4249) Show SMILES Cc1ccc(cc1)C1(O)CCN(CCCC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H26FNO2/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18/h4-11,26H,2-3,12-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.724	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497544 (CHEMBL3359688) Show SMILES CC(C)(C)OC(=O)NC(C(=O)NO)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C16H20N4O4/c1-16(2,3)24-15(22)18-13(14(21)19-23)11-5-7-12(8-6-11)20-10-4-9-17-20/h4-10,13,23H,1-3H3,(H,18,22)(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530709 (CHEMBL4455788) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-4-1-3-17(15-18)21(26)10-13-24(14-11-21)12-2-5-20(25)16-6-8-19(23)9-7-16/h1,3-4,6-9,15,26H,2,5,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530681 (CHEMBL4529368) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cc(Cl)ccc1Cl Show InChI InChI=1S/C21H22Cl2FNO2/c22-16-5-8-19(23)18(14-16)21(27)9-12-25(13-10-21)11-1-2-20(26)15-3-6-17(24)7-4-15/h3-8,14,27H,1-2,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530709 (CHEMBL4455788) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-4-1-3-17(15-18)21(26)10-13-24(14-11-21)12-2-5-20(25)16-6-8-19(23)9-7-16/h1,3-4,6-9,15,26H,2,5,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530681 (CHEMBL4529368) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cc(Cl)ccc1Cl Show InChI InChI=1S/C21H22Cl2FNO2/c22-16-5-8-19(23)18(14-16)21(27)9-12-25(13-10-21)11-1-2-20(26)15-3-6-17(24)7-4-15/h3-8,14,27H,1-2,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50206687 ((S)-3-(6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimi...) Show SMILES CN([C@H]1CCN(C1)C1CCC1)C(=O)N1CC[C@@H](C1)n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H30ClN5O2S/c1-29(20-9-11-30(14-20)19-3-2-4-19)26(34)31-12-10-21(15-31)32-16-28-22-13-23(35-24(22)25(32)33)17-5-7-18(27)8-6-17/h5-8,13,16,19-21H,2-4,9-12,14-15H2,1H3/t20-,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Binding affinity to human MCHR1				Bioorg Med Chem Lett 17: 2535-9 (2007) Article DOI: 10.1016/j.bmcl.2007.02.012 BindingDB Entry DOI: 10.7270/Q23778CV
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50362868 (CHEMBL1940404) Show SMILES OC1(CCN(CCCOc2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H23ClFNO2/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50362868 (CHEMBL1940404) Show SMILES OC1(CCN(CCCOc2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H23ClFNO2/c21-17-4-2-16(3-5-17)20(24)10-13-23(14-11-20)12-1-15-25-19-8-6-18(22)7-9-19/h2-9,24H,1,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530673 (CHEMBL4453290) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1c(Cl)cccc1Cl Show InChI InChI=1S/C21H22Cl2FNO2/c22-17-3-1-4-18(23)20(17)21(27)10-13-25(14-11-21)12-2-5-19(26)15-6-8-16(24)9-7-15/h1,3-4,6-9,27H,2,5,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530673 (CHEMBL4453290) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1c(Cl)cccc1Cl Show InChI InChI=1S/C21H22Cl2FNO2/c22-17-3-1-4-18(23)20(17)21(27)10-13-25(14-11-21)12-2-5-19(26)15-6-8-16(24)9-7-15/h1,3-4,6-9,27H,2,5,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530698 (CHEMBL4472382) Show SMILES OC1(CCN(CC[C@H]2C[C@@H]2c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H25ClFNO/c23-19-5-3-18(4-6-19)22(26)10-13-25(14-11-22)12-9-17-15-21(17)16-1-7-20(24)8-2-16/h1-8,17,21,26H,9-15H2/t17-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530698 (CHEMBL4472382) Show SMILES OC1(CCN(CC[C@H]2C[C@@H]2c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H25ClFNO/c23-19-5-3-18(4-6-19)22(26)10-13-25(14-11-22)12-9-17-15-21(17)16-1-7-20(24)8-2-16/h1-8,17,21,26H,9-15H2/t17-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50474701 (CHEMBL147830) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-10,17H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50474701 (CHEMBL147830) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-10,17H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50027218 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccccc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClNO2/c22-19-10-8-18(9-11-19)21(25)12-15-23(16-13-21)14-4-7-20(24)17-5-2-1-3-6-17/h1-3,5-6,8-11,25H,4,7,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50027218 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccccc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClNO2/c22-19-10-8-18(9-11-19)21(25)12-15-23(16-13-21)14-4-7-20(24)17-5-2-1-3-6-17/h1-3,5-6,8-11,25H,4,7,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530693 (CHEMBL422334) Show SMILES COC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H25ClFNO2/c1-27-22(18-6-8-19(23)9-7-18)12-15-25(16-13-22)14-2-3-21(26)17-4-10-20(24)11-5-17/h4-11H,2-3,12-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50530693 (CHEMBL422334) Show SMILES COC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H25ClFNO2/c1-27-22(18-6-8-19(23)9-7-18)12-15-25(16-13-22)14-2-3-21(26)17-4-10-20(24)11-5-17/h4-11H,2-3,12-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Displacement of PPHT-red from SNAP-tagged human D2LR expressed in CHOK1 cell membranes by TR-FRET assay				J Med Chem 62: 9488-9520 (2019) Article DOI: 10.1021/acs.jmedchem.9b00864 BindingDB Entry DOI: 10.7270/Q2NP27WQ
					More data for this Ligand-Target Pair
M1 family aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM50497553 (CHEMBL3359696) Show SMILES ONC(=O)C(NC(=O)c1ccccc1F)c1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C18H15FN4O3/c19-15-5-2-1-4-14(15)17(24)21-16(18(25)22-26)12-6-8-13(9-7-12)23-11-3-10-20-23/h1-11,16,26H,(H,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum M1 incubated for 10 mins before H-Leu-NHMec substrate addition by fluorescence assay				J Med Chem 57: 9168-83 (2014) Article DOI: 10.1021/jm501323a BindingDB Entry DOI: 10.7270/Q2QN69RJ
					More data for this Ligand-Target Pair

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