Compile Data Set for Download or QSAR

Found 323 hits with Last Name = 'roberti' 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
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50004167 ((2R,3S)-3-(4-Chloro-phenyl)-2-((E)-2-chloro-vinyl)...) Show SMILES CN1C2CCC1[C@@H](\C=C\Cl)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,THB:12:10:1:4.3,0:1:6.10.11:4.3| Show InChI InChI=1S/C16H19Cl2N/c1-19-13-6-7-16(19)14(8-9-17)15(10-13)11-2-4-12(18)5-3-11/h2-5,8-9,13-16H,6-7,10H2,1H3/b9-8+/t13?,14-,15+,16?/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding constant for the ability to displace [3H]mazindol to dopamine receptor was calculated from the Cheng-Prusoff relationship				Bioorg Med Chem Lett 3: 1327-1332 (1993) Article DOI: 10.1016/S0960-894X(00)80341-8 BindingDB Entry DOI: 10.7270/Q2RJ4JZN
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50004167 ((2R,3S)-3-(4-Chloro-phenyl)-2-((E)-2-chloro-vinyl)...) Show SMILES CN1C2CCC1[C@@H](\C=C\Cl)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,THB:12:10:1:4.3,0:1:6.10.11:4.3| Show InChI InChI=1S/C16H19Cl2N/c1-19-13-6-7-16(19)14(8-9-17)15(10-13)11-2-4-12(18)5-3-11/h2-5,8-9,13-16H,6-7,10H2,1H3/b9-8+/t13?,14-,15+,16?/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding constant for [3H]dopamine uptake was calculated from the Cheng-Prusoff relationship				Bioorg Med Chem Lett 3: 1327-1332 (1993) Article DOI: 10.1016/S0960-894X(00)80341-8 BindingDB Entry DOI: 10.7270/Q2RJ4JZN
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22418 (Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...) Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22418 (Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...) Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to inhibit [3H]mazindol binding in rat corpus striatum P2 synaptosomes				Bioorg Med Chem Lett 4: 303-308 (1994) Article DOI: 10.1016/S0960-894X(01)80133-5 BindingDB Entry DOI: 10.7270/Q2F47PNG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM22418 (Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(be...) Show SMILES [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50283380 (3-Benzoyloxy-8-carboxymethyl-8-aza-bicyclo[3.2.1]o...) Show SMILES COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2CC(O)=O |THB:2:4:20:6.7| Show InChI InChI=1S/C18H21NO6/c1-24-18(23)16-13-8-7-12(19(13)10-15(20)21)9-14(16)25-17(22)11-5-3-2-4-6-11/h2-6,12-14,16H,7-10H2,1H3,(H,20,21)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to inhibit [3H]mazindol binding in rat corpus striatum P2 synaptosomes				Bioorg Med Chem Lett 4: 303-308 (1994) Article DOI: 10.1016/S0960-894X(01)80133-5 BindingDB Entry DOI: 10.7270/Q2F47PNG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50283377 (3-Benzoyloxy-8-methoxycarbonylmethyl-8-aza-bicyclo...) Show SMILES COC(=O)CN1C2CCC1C(C(C2)OC(=O)c1ccccc1)C(=O)OC |TLB:22:10:5:8.7| Show InChI InChI=1S/C19H23NO6/c1-24-16(21)11-20-13-8-9-14(20)17(19(23)25-2)15(10-13)26-18(22)12-6-4-3-5-7-12/h3-7,13-15,17H,8-11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to inhibit [3H]mazindol binding in rat corpus striatum P2 synaptosomes				Bioorg Med Chem Lett 4: 303-308 (1994) Article DOI: 10.1016/S0960-894X(01)80133-5 BindingDB Entry DOI: 10.7270/Q2F47PNG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50366600 (CHEMBL301281) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2 |r,TLB:11:10:20:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11?,12?,13-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50283376 (3-Benzoyloxy-8-(2-hydroxy-ethyl)-8-aza-bicyclo[3.2...) Show SMILES COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2CCO |THB:2:4:20:6.7| Show InChI InChI=1S/C18H23NO5/c1-23-18(22)16-14-8-7-13(19(14)9-10-20)11-15(16)24-17(21)12-5-3-2-4-6-12/h2-6,13-16,20H,7-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to inhibit [3H]mazindol binding in rat corpus striatum P2 synaptosomes				Bioorg Med Chem Lett 4: 303-308 (1994) Article DOI: 10.1016/S0960-894X(01)80133-5 BindingDB Entry DOI: 10.7270/Q2F47PNG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50366600 (CHEMBL301281) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2 |r,TLB:11:10:20:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11?,12?,13-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Golgi-associated PDZ and coiled-coil motif-containing protein (Homo sapiens)	BDBM50596827 (CHEMBL5177006) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(C)C)[C@@H](C)O)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30E+3	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.1c01897 BindingDB Entry DOI: 10.7270/Q2BZ6B2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50078779 ((2R,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7| Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50078779 ((2R,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7| Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551183 (CHEMBL4747846) Show SMILES Oc1ccc(cc1)-c1ccc(-c2cc(O)cc(O)c2)c(c1)-c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50283381 (3-Benzoyloxy-8-nitro-8-aza-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2[N+]([O-])=O |TLB:21:20:4.10.9:6.7,THB:11:10:20:6.7,2:4:20:6.7| Show InChI InChI=1S/C16H18N2O6/c1-23-16(20)14-12-8-7-11(17(12)18(21)22)9-13(14)24-15(19)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to inhibit [3H]mazindol binding in rat corpus striatum P2 synaptosomes				Bioorg Med Chem Lett 4: 303-308 (1994) Article DOI: 10.1016/S0960-894X(01)80133-5 BindingDB Entry DOI: 10.7270/Q2F47PNG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50078779 ((2R,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7| Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50078779 ((2R,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7| Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50005560 (3-Benzoyloxy-8-methyl-8-azonia-bicyclo[3.2.1]octan...) Show SMILES COC(=O)[C@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2 |r,TLB:11:10:6.7:20,THB:2:4:6.7:20| Show InChI InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11?,12?,13-,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PubMed	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551184 (CHEMBL4797185) Show SMILES Cn1cnc2c(N)nc(CCc3ccccc3)nc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50005560 (3-Benzoyloxy-8-methyl-8-azonia-bicyclo[3.2.1]octan...) Show SMILES COC(=O)[C@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2 |r,TLB:11:10:6.7:20,THB:2:4:6.7:20| Show InChI InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11?,12?,13-,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PubMed	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551180 (CHEMBL4760251) Show SMILES O=C1CCCCCNCc2ccc(Cc3ccc(CNCCCCCC(=O)N(Cc4ccccc4)CCCCCCCCN1Cc1ccccc1)cc3)cc2 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551177 (CHEMBL4762279) Show SMILES Nc1cc(NCc2ccc(cc2)-c2ccccc2)nc(N)n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551178 (CHEMBL4785591) Show SMILES O=C1CCCCCNCc2ccc(cc2)-c2ccc(CNCCCCCC(=O)N(Cc3ccccc3)CCCCCCCCN1Cc1ccccc1)cc2 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Golgi-associated PDZ and coiled-coil motif-containing protein (Homo sapiens)	BDBM50596826 (CHEMBL5202803) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)CC)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.26E+4	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.1c01897 BindingDB Entry DOI: 10.7270/Q2BZ6B2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50078778 ((2R,3R)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@H]1OC(=O)c1ccccc1)O2 |TLB:11:10:20:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50078782 ((2S,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)[C@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7| Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.94E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50078782 ((2S,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)[C@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7| Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.94E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50078778 ((2R,3R)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@H]1OC(=O)c1ccccc1)O2 |TLB:11:10:20:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50078781 ((2S,3R)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)[C@H]1C2CCC(C[C@H]1OC(=O)c1ccccc1)O2 |TLB:11:10:20:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551181 (CHEMBL54725) Show SMILES COc1ccccc1CNCc1ccc(CNCCCCCCCCCCCCNCc2ccc(CNCc3ccccc3OC)cc2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.72E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50078781 ((2S,3R)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)[C@H]1C2CCC(C[C@H]1OC(=O)c1ccccc1)O2 |TLB:11:10:20:6.7,THB:2:4:20:6.7| Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114409 (CHEMBL3609809) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1ccc(o1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C22H20N2O7/c1-28-18-10-15(11-19(29-2)20(18)30-3)21(25)24-23-12-16-7-8-17(31-16)13-5-4-6-14(9-13)22(26)27/h4-12H,1-3H3,(H,24,25)(H,26,27)/b23-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human liver purified lactate dehydrogenase-A using pyruvate as substrate assessed as disappearance of NADH fluorescence				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50283378 (Benzoic acid 5-oxo-6,7-diaza-tricyclo[5.3.0.0*4,8*...) Show SMILES O=C(OC1CC2CCC3C1C(=O)NN23)c1ccccc1 |TLB:7:8:12.10:3.5.4,THB:12:13:9.3.4:7.6,10:9:13:7.6,2:3:13:7.6| Show InChI InChI=1S/C15H16N2O3/c18-14-13-11-7-6-10(17(11)16-14)8-12(13)20-15(19)9-4-2-1-3-5-9/h1-5,10-13H,6-8H2,(H,16,18)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.49E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to inhibit [3H]mazindol binding in rat corpus striatum P2 synaptosomes				Bioorg Med Chem Lett 4: 303-308 (1994) Article DOI: 10.1016/S0960-894X(01)80133-5 BindingDB Entry DOI: 10.7270/Q2F47PNG
					More data for this Ligand-Target Pair
L-lactate dehydrogenase A chain (Homo sapiens (Human))	BDBM50114409 (CHEMBL3609809) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1ccc(o1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C22H20N2O7/c1-28-18-10-15(11-19(29-2)20(18)30-3)21(25)24-23-12-16-7-8-17(31-16)13-5-4-6-14(9-13)22(26)27/h4-12H,1-3H3,(H,24,25)(H,26,27)/b23-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human liver purified lactate dehydrogenase-A using NADH as substrate assessed as disappearance of NADH fluorescence				Eur J Med Chem 101: 63-70 (2015) Article DOI: 10.1016/j.ejmech.2015.06.028 BindingDB Entry DOI: 10.7270/Q2NS0WQM
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50078782 ((2S,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)[C@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7| Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.77E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of high affinity uptake of [3H]dopamine into striatal nerve endings (synaptosomes)				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50078782 ((2S,3S)-3-Benzoyloxy-8-oxa-bicyclo[3.2.1]octane-2-...) Show SMILES COC(=O)[C@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)O2 |THB:11:10:20:6.7,2:4:20:6.7| Show InChI InChI=1S/C16H18O5/c1-19-16(18)14-12-8-7-11(20-12)9-13(14)21-15(17)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11?,12?,13-,14-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.77E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding affinity towards dopamine transporter using [3H]- mazindol as radioligand in rat striatal membranes				Bioorg Med Chem Lett 9: 1831-6 (1999) BindingDB Entry DOI: 10.7270/Q2KS6S3Z
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50283375 (3-Benzoyloxy-8-nitroso-8-aza-bicyclo[3.2.1]octane-...) Show SMILES COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2N=O |TLB:21:20:4.10.9:6.7,THB:11:10:20:6.7,2:4:20:6.7| Show InChI InChI=1S/C16H18N2O5/c1-22-16(20)14-12-8-7-11(18(12)17-21)9-13(14)23-15(19)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	9.95E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to inhibit [3H]mazindol binding in rat corpus striatum P2 synaptosomes				Bioorg Med Chem Lett 4: 303-308 (1994) Article DOI: 10.1016/S0960-894X(01)80133-5 BindingDB Entry DOI: 10.7270/Q2F47PNG
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551179 (CHEMBL4778279) Show SMILES O=C1CCCCCNCc2ccc(CNCCCCCC(=O)N(Cc3ccccc3)CCCCCCCCN1Cc1ccccc1)cc2 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551173 (CHEMBL4753331) Show SMILES COc1ccc(COc2cc(N)nc(N)n2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551175 (CHEMBL1993081) Show SMILES Nc1nc(NCc2ccccc2)cc(NCc2ccccc2)n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551174 (CHEMBL158919) Show SMILES Nc1cc(NCc2ccccc2)nc(N)n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551182 (CHEMBL4754292) Show SMILES [H][C@@]12CCN(CCCCCCN)[C@]1([H])c1ccccc1OC2 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50551176 (CHEMBL4748094) Show SMILES Nc1cc(NCc2ccc(F)cc2)nc(N)n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50386758 (CHEMBL2046893) Show SMILES Fc1ccc(cc1)N(CCNCCCc1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C23H24F2N2/c24-20-8-12-22(13-9-20)27(23-14-10-21(25)11-15-23)18-17-26-16-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-15,26H,4,7,16-18H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Pteridine reductase 1 (Leishmania major)	BDBM50062821 (6-Benzyloxy-pyrimidine-2,4-diamine | CHEMBL121445) Show SMILES Nc1cc(OCc2ccccc2)nc(N)n1 Show InChI InChI=1S/C11H12N4O/c12-9-6-10(15-11(13)14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,12,13,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Leishmania major PTR1 using H2B as substrate preincubated for 10 mins followed by NADPH addition and measured up to 50 mins relative to...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112047 BindingDB Entry DOI: 10.7270/Q2F47SSH
					More data for this Ligand-Target Pair
Golgi-associated PDZ and coiled-coil motif-containing protein (Homo sapiens)	BDBM50596825 (CHEMBL5196216) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)[C@@H](C)O)C(O)=O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90E+5	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.1c01897 BindingDB Entry DOI: 10.7270/Q2BZ6B2P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50283379 (8-Acetylamino-3-benzoyloxy-8-aza-bicyclo[3.2.1]oct...) Show SMILES COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2NC(C)=O |TLB:21:20:4.10.9:6.7,THB:11:10:20:6.7,2:4:20:6.7| Show InChI InChI=1S/C18H22N2O5/c1-11(21)19-20-13-8-9-14(20)16(18(23)24-2)15(10-13)25-17(22)12-6-4-3-5-7-12/h3-7,13-16H,8-10H2,1-2H3,(H,19,21)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to inhibit [3H]mazindol binding in rat corpus striatum P2 synaptosomes				Bioorg Med Chem Lett 4: 303-308 (1994) Article DOI: 10.1016/S0960-894X(01)80133-5 BindingDB Entry DOI: 10.7270/Q2F47PNG
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Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50004167 ((2R,3S)-3-(4-Chloro-phenyl)-2-((E)-2-chloro-vinyl)...) Show SMILES CN1C2CCC1[C@@H](\C=C\Cl)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,THB:12:10:1:4.3,0:1:6.10.11:4.3| Show InChI InChI=1S/C16H19Cl2N/c1-19-13-6-7-16(19)14(8-9-17)15(10-13)11-2-4-12(18)5-3-11/h2-5,8-9,13-16H,6-7,10H2,1H3/b9-8+/t13?,14-,15+,16?/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]mazindol from dopamine transporter				Bioorg Med Chem Lett 3: 1327-1332 (1993) Article DOI: 10.1016/S0960-894X(00)80341-8 BindingDB Entry DOI: 10.7270/Q2RJ4JZN
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50004167 ((2R,3S)-3-(4-Chloro-phenyl)-2-((E)-2-chloro-vinyl)...) Show SMILES CN1C2CCC1[C@@H](\C=C\Cl)[C@H](C2)c1ccc(Cl)cc1 |TLB:7:6:1:4.3,THB:12:10:1:4.3,0:1:6.10.11:4.3| Show InChI InChI=1S/C16H19Cl2N/c1-19-13-6-7-16(19)14(8-9-17)15(10-13)11-2-4-12(18)5-3-11/h2-5,8-9,13-16H,6-7,10H2,1H3/b9-8+/t13?,14-,15+,16?/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against [3H]dopamine uptake				Bioorg Med Chem Lett 3: 1327-1332 (1993) Article DOI: 10.1016/S0960-894X(00)80341-8 BindingDB Entry DOI: 10.7270/Q2RJ4JZN
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Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50084717 ((+)-(1R,2R,3S,5S)-methyl 3-(benzoyloxy)-8-methyl-8...) Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7| Show InChI InChI=1S/C17H21NO4/c1-18-11-8-9-14(18)15(17(20)21-2)13(10-11)16(19)22-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3/t11?,13-,14?,15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from Serotonin transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
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