Compile Data Set for Download or QSAR

Found 327 hits with Last Name = 'chowdhury' and Initial = 'r'   

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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50078243 ((8-Phenyl-chroman-3-yl)-dipropyl-amine | CHEMBL411...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2-c1ccccc1 Show InChI InChI=1S/C21H27NO/c1-3-13-22(14-4-2)19-15-18-11-8-12-20(21(18)23-16-19)17-9-6-5-7-10-17/h5-12,19H,3-4,13-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50078250 (CHEMBL39847 | Dipropyl-(8-thiophen-3-yl-chroman-3-...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2-c1ccsc1 Show InChI InChI=1S/C19H25NOS/c1-3-9-20(10-4-2)17-12-15-6-5-7-18(19(15)21-13-17)16-8-11-22-14-16/h5-8,11,14,17H,3-4,9-10,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50078242 (CHEMBL41491 | [8-(2-Methoxy-phenyl)-chroman-3-yl]-...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2-c1ccccc1OC Show InChI InChI=1S/C22H29NO2/c1-4-13-23(14-5-2)18-15-17-9-8-11-20(22(17)25-16-18)19-10-6-7-12-21(19)24-3/h6-12,18H,4-5,13-16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50078240 (CHEMBL41200 | [8-(4-Methoxy-phenyl)-chroman-3-yl]-...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2-c1ccc(OC)cc1 Show InChI InChI=1S/C22H29NO2/c1-4-13-23(14-5-2)19-15-18-7-6-8-21(22(18)25-16-19)17-9-11-20(24-3)12-10-17/h6-12,19H,4-5,13-16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50052869 ((R)-6-Methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibe...) Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2ccccc2)c-31 Show InChI InChI=1S/C23H21N/c1-24-14-13-17-9-5-12-20-22-18(15-21(24)23(17)20)10-6-11-19(22)16-7-3-2-4-8-16/h2-12,21H,13-15H2,1H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50078244 ((3-Dipropylamino-chroman-8-yl)-phenyl-methanone | ...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccccc1 Show InChI InChI=1S/C22H27NO2/c1-3-13-23(14-4-2)19-15-18-11-8-12-20(22(18)25-16-19)21(24)17-9-6-5-7-10-17/h5-12,19H,3-4,13-16H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50078241 ((8-Furan-3-yl-chroman-3-yl)-dipropyl-amine | CHEMB...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2-c1ccoc1 Show InChI InChI=1S/C19H25NO2/c1-3-9-20(10-4-2)17-12-15-6-5-7-18(19(15)22-14-17)16-8-11-21-13-16/h5-8,11,13,17H,3-4,9-10,12,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50078245 ((3-Dipropylamino-chroman-8-yl)-thiophen-3-yl-metha...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccsc1 Show InChI InChI=1S/C20H25NO2S/c1-3-9-21(10-4-2)17-12-15-6-5-7-18(20(15)23-13-17)19(22)16-8-11-24-14-16/h5-8,11,14,17H,3-4,9-10,12-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50078247 (1-[4-(3-Dipropylamino-chroman-8-carbonyl)-phenyl]-...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccc(cc1)C(C)=O Show InChI InChI=1S/C24H29NO3/c1-4-13-25(14-5-2)21-15-20-7-6-8-22(24(20)28-16-21)23(27)19-11-9-18(10-12-19)17(3)26/h6-12,21H,4-5,13-16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50078249 ((3-Dipropylamino-chroman-8-yl)-(4-methoxy-phenyl)-...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C23H29NO3/c1-4-13-24(14-5-2)19-15-18-7-6-8-21(23(18)27-16-19)22(25)17-9-11-20(26-3)12-10-17/h6-12,19H,4-5,13-16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50078246 ((3-Dipropylamino-chroman-8-yl)-furan-3-yl-methanon...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccoc1 Show InChI InChI=1S/C20H25NO3/c1-3-9-21(10-4-2)17-12-15-6-5-7-18(20(15)24-14-17)19(22)16-8-11-23-13-16/h5-8,11,13,17H,3-4,9-10,12,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50078251 ((3-Dipropylamino-chroman-8-yl)-(4-trifluoromethyl-...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H26F3NO2/c1-3-12-27(13-4-2)19-14-17-6-5-7-20(22(17)29-15-19)21(28)16-8-10-18(11-9-16)23(24,25)26/h5-11,19H,3-4,12-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50078241 ((8-Furan-3-yl-chroman-3-yl)-dipropyl-amine | CHEMB...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2-c1ccoc1 Show InChI InChI=1S/C19H25NO2/c1-3-9-20(10-4-2)17-12-15-6-5-7-18(19(15)22-14-17)16-8-11-21-13-16/h5-8,11,13,17H,3-4,9-10,12,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50078252 ((3-Dipropylamino-chroman-8-yl)-(2-methoxy-phenyl)-...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccccc1OC Show InChI InChI=1S/C23H29NO3/c1-4-13-24(14-5-2)18-15-17-9-8-11-20(23(17)27-16-18)22(25)19-10-6-7-12-21(19)26-3/h6-12,18H,4-5,13-16H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50078248 (CHEMBL43073 | Dipropyl-(8-thiophen-3-yl-chroman-3-...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H26F3NO/c1-3-12-26(13-4-2)19-14-17-6-5-7-20(21(17)27-15-19)16-8-10-18(11-9-16)22(23,24)25/h5-11,19H,3-4,12-15H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50036864 (3-Dipropylamino-chroman-5-ol | CHEMBL27995) Show SMILES CCCN(CCC)C1COc2cccc(O)c2C1 Show InChI InChI=1S/C15H23NO2/c1-3-8-16(9-4-2)12-10-13-14(17)6-5-7-15(13)18-11-12/h5-7,12,17H,3-4,8-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50020220 (3-Dipropylamino-chroman-8-ol | CHEMBL38428) Show SMILES CCCN(CCC)C1COc2c(O)cccc2C1 Show InChI InChI=1S/C15H23NO2/c1-3-8-16(9-4-2)13-10-12-6-5-7-14(17)15(12)18-11-13/h5-7,13,17H,3-4,8-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	128	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50503648 (CHEMBL4474444) Show SMILES Oc1c(I)cc(C[C@H](NC(=O)N2CCOCC2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)cc1I |r| Show InChI InChI=1S/C31H33I2N3O6S/c32-26-19-23(20-27(33)29(26)37)21-28(35-31(39)36-14-16-42-17-15-36)30(38)34-24(12-11-22-7-3-1-4-8-22)13-18-43(40,41)25-9-5-2-6-10-25/h1-10,13,18-20,24,28,37H,11-12,14-17,21H2,(H,34,38)(H,35,39)/b18-13+/t24-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibition of cathepsin B (unknown origin) using Z-Arg-Arg-AMC as substrate after 5 mins by fluorimetric method				Bioorg Med Chem Lett 29: 36-39 (2019) Article DOI: 10.1016/j.bmcl.2018.11.019 BindingDB Entry DOI: 10.7270/Q2028VTF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50078250 (CHEMBL39847 | Dipropyl-(8-thiophen-3-yl-chroman-3-...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2-c1ccsc1 Show InChI InChI=1S/C19H25NOS/c1-3-9-20(10-4-2)17-12-15-6-5-7-18(19(15)21-13-17)16-8-11-22-14-16/h5-8,11,14,17H,3-4,9-10,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50078243 ((8-Phenyl-chroman-3-yl)-dipropyl-amine | CHEMBL411...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2-c1ccccc1 Show InChI InChI=1S/C21H27NO/c1-3-13-22(14-4-2)19-15-18-11-8-12-20(21(18)23-16-19)17-9-6-5-7-10-17/h5-12,19H,3-4,13-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50503648 (CHEMBL4474444) Show SMILES Oc1c(I)cc(C[C@H](NC(=O)N2CCOCC2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)cc1I |r| Show InChI InChI=1S/C31H33I2N3O6S/c32-26-19-23(20-27(33)29(26)37)21-28(35-31(39)36-14-16-42-17-15-36)30(38)34-24(12-11-22-7-3-1-4-8-22)13-18-43(40,41)25-9-5-2-6-10-25/h1-10,13,18-20,24,28,37H,11-12,14-17,21H2,(H,34,38)(H,35,39)/b18-13+/t24-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibition of cathepsin L (unknown origin) using Z-Phe-Arg-AMC as substrate after 5 mins by fluorimetric method				Bioorg Med Chem Lett 29: 36-39 (2019) Article DOI: 10.1016/j.bmcl.2018.11.019 BindingDB Entry DOI: 10.7270/Q2028VTF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50078248 (CHEMBL43073 | Dipropyl-(8-thiophen-3-yl-chroman-3-...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H26F3NO/c1-3-12-26(13-4-2)19-14-17-6-5-7-20(21(17)27-15-19)16-8-10-18(11-9-16)22(23,24)25/h5-11,19H,3-4,12-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	763	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50078245 ((3-Dipropylamino-chroman-8-yl)-thiophen-3-yl-metha...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccsc1 Show InChI InChI=1S/C20H25NO2S/c1-3-9-21(10-4-2)17-12-15-6-5-7-18(20(15)23-13-17)19(22)16-8-11-24-14-16/h5-8,11,14,17H,3-4,9-10,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50503647 (CHEMBL327624) Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 Show InChI InChI=1S/C31H35N3O5S/c35-30(29(24-26-12-6-2-7-13-26)33-31(36)34-19-21-39-22-20-34)32-27(17-16-25-10-4-1-5-11-25)18-23-40(37,38)28-14-8-3-9-15-28/h1-15,18,23,27,29H,16-17,19-22,24H2,(H,32,35)(H,33,36)/b23-18+/t27-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibition of cathepsin L (unknown origin) using Z-Phe-Arg-AMC as substrate after 5 mins by fluorimetric method				Bioorg Med Chem Lett 29: 36-39 (2019) Article DOI: 10.1016/j.bmcl.2018.11.019 BindingDB Entry DOI: 10.7270/Q2028VTF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50078244 ((3-Dipropylamino-chroman-8-yl)-phenyl-methanone | ...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccccc1 Show InChI InChI=1S/C22H27NO2/c1-3-13-23(14-4-2)19-15-18-11-8-12-20(22(18)25-16-19)21(24)17-9-6-5-7-10-17/h5-12,19H,3-4,13-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50078252 ((3-Dipropylamino-chroman-8-yl)-(2-methoxy-phenyl)-...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccccc1OC Show InChI InChI=1S/C23H29NO3/c1-4-13-24(14-5-2)18-15-17-9-8-11-20(23(17)27-16-18)22(25)19-10-6-7-12-21(19)26-3/h6-12,18H,4-5,13-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50078247 (1-[4-(3-Dipropylamino-chroman-8-carbonyl)-phenyl]-...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccc(cc1)C(C)=O Show InChI InChI=1S/C24H29NO3/c1-4-13-25(14-5-2)21-15-20-7-6-8-22(24(20)28-16-21)23(27)19-11-9-18(10-12-19)17(3)26/h6-12,21H,4-5,13-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50078251 ((3-Dipropylamino-chroman-8-yl)-(4-trifluoromethyl-...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H26F3NO2/c1-3-12-27(13-4-2)19-14-17-6-5-7-20(22(17)29-15-19)21(28)16-8-10-18(11-9-16)23(24,25)26/h5-11,19H,3-4,12-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50078249 ((3-Dipropylamino-chroman-8-yl)-(4-methoxy-phenyl)-...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C23H29NO3/c1-4-13-24(14-5-2)19-15-18-7-6-8-21(23(18)27-16-19)22(25)17-9-11-20(26-3)12-10-17/h6-12,19H,4-5,13-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50078242 (CHEMBL41491 | [8-(2-Methoxy-phenyl)-chroman-3-yl]-...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2-c1ccccc1OC Show InChI InChI=1S/C22H29NO2/c1-4-13-23(14-5-2)18-15-17-9-8-11-20(22(17)25-16-18)19-10-6-7-12-21(19)24-3/h6-12,18H,4-5,13-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50078240 (CHEMBL41200 | [8-(4-Methoxy-phenyl)-chroman-3-yl]-...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2-c1ccc(OC)cc1 Show InChI InChI=1S/C22H29NO2/c1-4-13-23(14-5-2)19-15-18-7-6-8-21(22(18)25-16-19)17-9-11-20(24-3)12-10-17/h6-12,19H,4-5,13-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50078246 ((3-Dipropylamino-chroman-8-yl)-furan-3-yl-methanon...) Show SMILES CCCN(CCC)C1COc2c(C1)cccc2C(=O)c1ccoc1 Show InChI InChI=1S/C20H25NO3/c1-3-9-21(10-4-2)17-12-15-6-5-7-18(20(15)24-14-17)19(22)16-8-11-23-13-16/h5-8,11,13,17H,3-4,9-10,12,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
Lysine-specific demethylase 2A (Homo sapiens (Human))	BDBM50395076 (CHEMBL2164243) Show SMILES CN(C)NC(=O)CCC(O)=O Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Competitive inhibition of human KDM2A expressed in Escherichia coli using 2-oxoglutarate by enzyme kinetic assay				J Med Chem 55: 6639-43 (2012) Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50020220 (3-Dipropylamino-chroman-8-ol | CHEMBL38428) Show SMILES CCCN(CCC)C1COc2c(O)cccc2C1 Show InChI InChI=1S/C15H23NO2/c1-3-8-16(9-4-2)13-10-12-6-5-7-14(17)15(12)18-11-13/h5-7,13,17H,3-4,8-11H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50036864 (3-Dipropylamino-chroman-5-ol | CHEMBL27995) Show SMILES CCCN(CCC)C1COc2cccc(O)c2C1 Show InChI InChI=1S/C15H23NO2/c1-3-8-16(9-4-2)12-10-13-14(17)6-5-7-15(13)18-11-12/h5-7,12,17H,3-4,8-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description In vitro ability to inhibit [3H]-raclopride binding to cloned human D2A receptors expressed in mouse fibroblast (LtK-) cells				Bioorg Med Chem Lett 9: 1583-6 (1999) BindingDB Entry DOI: 10.7270/Q2T152TW
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50503647 (CHEMBL327624) Show SMILES O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 Show InChI InChI=1S/C31H35N3O5S/c35-30(29(24-26-12-6-2-7-13-26)33-31(36)34-19-21-39-22-20-34)32-27(17-16-25-10-4-1-5-11-25)18-23-40(37,38)28-14-8-3-9-15-28/h1-15,18,23,27,29H,16-17,19-22,24H2,(H,32,35)(H,33,36)/b23-18+/t27-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibition of cathepsin B (unknown origin) using Z-Arg-Arg-AMC as substrate after 5 mins by fluorimetric method				Bioorg Med Chem Lett 29: 36-39 (2019) Article DOI: 10.1016/j.bmcl.2018.11.019 BindingDB Entry DOI: 10.7270/Q2028VTF
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50503646 (CHEMBL4564457) Show SMILES CS(=O)(=O)\C=C\CNC(=O)COc1ccc(Br)cc1Br Show InChI InChI=1S/C12H13Br2NO4S/c1-20(17,18)6-2-5-15-12(16)8-19-11-4-3-9(13)7-10(11)14/h2-4,6-7H,5,8H2,1H3,(H,15,16)/b6-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Competitive inhibition of human liver cathepsin L using Z-FR-AMC as substrate measured at 1 min interval for 20 mins followed by every 15 mins for 2 ...				Bioorg Med Chem Lett 29: 36-39 (2019) Article DOI: 10.1016/j.bmcl.2018.11.019 BindingDB Entry DOI: 10.7270/Q2028VTF
					More data for this Ligand-Target Pair
Lysine-specific demethylase 2A (Homo sapiens (Human))	BDBM50395076 (CHEMBL2164243) Show SMILES CN(C)NC(=O)CCC(O)=O Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Mixed type inhibition of human KDM2A expressed in Escherichia coli assessed inhibition constant for compound-enzyme-substrate complex using methyl ly...				J Med Chem 55: 6639-43 (2012) Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50503650 (CHEMBL4516952) Show SMILES C[C@@H](Oc1ccc(Br)cc1Br)C(=O)NC\C=C\S(C)(=O)=O |r| Show InChI InChI=1S/C13H15Br2NO4S/c1-9(13(17)16-6-3-7-21(2,18)19)20-12-5-4-10(14)8-11(12)15/h3-5,7-9H,6H2,1-2H3,(H,16,17)/b7-3+/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.46E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin L using Z-FR-AMC as substrate measured at 1 min interval for 20 mins followed by every 15 mins for 2 hrs by fluor...				Bioorg Med Chem Lett 29: 36-39 (2019) Article DOI: 10.1016/j.bmcl.2018.11.019 BindingDB Entry DOI: 10.7270/Q2028VTF
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50503649 (CHEMBL4476113) Show SMILES CC1(CC1)c1cc(NCC(=O)N2CCN(CC2)C2CN(C2)C(=O)C=C)c(O)cc1Cl Show InChI InChI=1S/C22H29ClN4O3/c1-3-20(29)27-13-15(14-27)25-6-8-26(9-7-25)21(30)12-24-18-10-16(22(2)4-5-22)17(23)11-19(18)28/h3,10-11,15,24,28H,1,4-9,12-14H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Houston Curated by ChEMBL					Assay Description Inhibition of KRAS G12C mutant (unknown origin)				Bioorg Med Chem Lett 29: 36-39 (2019) Article DOI: 10.1016/j.bmcl.2018.11.019 BindingDB Entry DOI: 10.7270/Q2028VTF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate measured after 7 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113541 BindingDB Entry DOI: 10.7270/Q25D8WNM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50115732 (CHEMBL294467 | Sodium vanadate) Show SMILES [O-][V](=O)=O Show InChI InChI=1S/3O.V/q;;-1;	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human TCPTP using pNPP as substrate measured after 30 mins				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112508 BindingDB Entry DOI: 10.7270/Q2QJ7N1M
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM50391109 (CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...) Show SMILES [O-][V]([O-])([O-])=O Show InChI InChI=1S/4O.V/q;3*-1;	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University (SJTU) Curated by ChEMBL					Assay Description Inhibition of TCPTP (unknown origin) using pNPP as substrate after 30 mins				Eur J Med Chem 164: 408-422 (2019) Article DOI: 10.1016/j.ejmech.2018.12.032 BindingDB Entry DOI: 10.7270/Q2KK9G90
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50115732 (CHEMBL294467 | Sodium vanadate) Show SMILES [O-][V](=O)=O Show InChI InChI=1S/3O.V/q;;-1;	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human PTP1B using pNPP as substrate measured after 30 mins				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112508 BindingDB Entry DOI: 10.7270/Q2QJ7N1M
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50391109 (CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...) Show SMILES [O-][V]([O-])([O-])=O Show InChI InChI=1S/4O.V/q;3*-1;	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University (SJTU) Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) using pNPP as substrate after 30 mins				Eur J Med Chem 164: 408-422 (2019) Article DOI: 10.1016/j.ejmech.2018.12.032 BindingDB Entry DOI: 10.7270/Q2KK9G90
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM50391109 (CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...) Show SMILES [O-][V]([O-])([O-])=O Show InChI InChI=1S/4O.V/q;3*-1;	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University (SJTU) Curated by ChEMBL					Assay Description Inhibition of SHP2 (unknown origin) using pNPP as substrate after 30 mins				Eur J Med Chem 164: 408-422 (2019) Article DOI: 10.1016/j.ejmech.2018.12.032 BindingDB Entry DOI: 10.7270/Q2KK9G90
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human BuChe using S-butyrylthiocholine iodide as substrate measured after 7 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113541 BindingDB Entry DOI: 10.7270/Q25D8WNM
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50531695 (CHEMBL4473987) Show SMILES CCCCCCCCCCCCc1ccc(NC(=O)C(=O)N2C[C@@H](Oc3ccc(CCS(=O)(=O)OCC)cc3)[C@@H](C2)Oc2ccc(\C=C\S(=O)(=O)OCC)cc2)cc1 |r| Show InChI InChI=1S/C44H60N2O10S2/c1-4-7-8-9-10-11-12-13-14-15-16-35-17-23-38(24-18-35)45-43(47)44(48)46-33-41(55-39-25-19-36(20-26-39)29-31-57(49,50)53-5-2)42(34-46)56-40-27-21-37(22-28-40)30-32-58(51,52)54-6-3/h17-29,31,41-42H,4-16,30,32-34H2,1-3H3,(H,45,47)/b31-29+/t41-,42-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University (SJTU) Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) using pNPP as substrate after 30 mins				Eur J Med Chem 164: 408-422 (2019) Article DOI: 10.1016/j.ejmech.2018.12.032 BindingDB Entry DOI: 10.7270/Q2KK9G90
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4E (Homo sapiens (Human))	BDBM50395083 (CHEMBL2164246) Show SMILES NNC(=O)CCC(O)=O Show InChI InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human KDM4E expressed in Escherichia coli using methyl lysine peptide substrate by AlphaScreen assay				J Med Chem 55: 6639-43 (2012) Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50531709 (CHEMBL4528006) Show SMILES CCOS(=O)(=O)CCc1ccc(O[C@@H]2CN(C[C@H]2Oc2ccc(\C=C\S(=O)(=O)OCC)cc2)C(=O)C(=O)Nc2ccc(Oc3ccc(cc3)-c3ccccc3)cc2)cc1 |r| Show InChI InChI=1S/C44H44N2O11S2/c1-3-53-58(49,50)28-26-32-10-18-39(19-11-32)56-41-30-46(31-42(41)57-40-20-12-33(13-21-40)27-29-59(51,52)54-4-2)44(48)43(47)45-36-16-24-38(25-17-36)55-37-22-14-35(15-23-37)34-8-6-5-7-9-34/h5-26,28,41-42H,3-4,27,29-31H2,1-2H3,(H,45,47)/b28-26+/t41-,42-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University (SJTU) Curated by ChEMBL					Assay Description Inhibition of PTP1B (unknown origin) using pNPP as substrate after 30 mins				Eur J Med Chem 164: 408-422 (2019) Article DOI: 10.1016/j.ejmech.2018.12.032 BindingDB Entry DOI: 10.7270/Q2KK9G90
					More data for this Ligand-Target Pair

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