Compile Data Set for Download or QSAR

Found 4525 hits with Last Name = 'zhou' and Initial = 'l'   

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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50270877 ((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...) Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5| Show InChI InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak binding to GST-tagged BCL-XL (unknown origin) measured after 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00162 BindingDB Entry DOI: 10.7270/Q2R78JW5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50270877 ((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...) Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5| Show InChI InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak binding to GST-tagged BCL2 (unknown origin) measured after 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00162 BindingDB Entry DOI: 10.7270/Q2R78JW5
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM139040 (US8883784, 1) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C39H38N8O6S4/c1-45(2)19-18-26(23-54-27-10-4-3-5-11-27)40-31-16-15-28(21-34(31)47(50)51)57(52,53)44-37(49)33-24-55-39(42-33)46-20-17-25-9-8-12-29(30(25)22-46)36(48)43-38-41-32-13-6-7-14-35(32)56-38/h3-16,21,24,26,40H,17-20,22-23H2,1-2H3,(H,44,49)(H,41,43,48)/t26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak binding to GST-tagged BCL-XL (unknown origin) measured after 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00162 BindingDB Entry DOI: 10.7270/Q2R78JW5
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50594944 (CHEMBL5181703) Show SMILES CN(C)[C@@H]1CN(C[C@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114144 BindingDB Entry DOI: 10.7270/Q2DN4921
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM139041 (US8883784, 2) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C42H40F3N7O7S5/c43-42(44,45)63(55,56)37-23-30(13-14-34(37)46-28(16-17-51-19-21-59-22-20-51)25-60-29-8-2-1-3-9-29)64(57,58)50-39(54)35-26-61-41(48-35)52-18-15-27-7-6-10-31(32(27)24-52)38(53)49-40-47-33-11-4-5-12-36(33)62-40/h1-14,23,26,28,46H,15-22,24-25H2,(H,50,54)(H,47,49,53)/t28-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak binding to GST-tagged BCL-XL (unknown origin) measured after 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00162 BindingDB Entry DOI: 10.7270/Q2R78JW5
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520722 (CHEMBL4554047) Show SMILES Clc1ccc(C[C@@]2(COc3cccnc3)CCCNC2)cc1Cl |r| Show InChI InChI=1S/C18H20Cl2N2O/c19-16-5-4-14(9-17(16)20)10-18(6-2-8-22-12-18)13-23-15-3-1-7-21-11-15/h1,3-5,7,9,11,22H,2,6,8,10,12-13H2/t18-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520723 (CHEMBL4440256) Show SMILES Clc1ccc(CC2(COc3cccnc3)CCCNC2)cc1Cl Show InChI InChI=1S/C18H20Cl2N2O/c19-16-5-4-14(9-17(16)20)10-18(6-2-8-22-12-18)13-23-15-3-1-7-21-11-15/h1,3-5,7,9,11,22H,2,6,8,10,12-13H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520715 (CHEMBL4437999) Show SMILES Clc1cccc(CC2(COc3ccc(Cl)nc3)CCCNC2)c1 Show InChI InChI=1S/C18H20Cl2N2O/c19-15-4-1-3-14(9-15)10-18(7-2-8-21-12-18)13-23-16-5-6-17(20)22-11-16/h1,3-6,9,11,21H,2,7-8,10,12-13H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520705 (CHEMBL4458658) Show SMILES OCCCCC#Cc1cncc(OCC2(Cc3cccc(Cl)c3)CCCNC2)c1 Show InChI InChI=1S/C24H29ClN2O2/c25-22-9-5-8-20(13-22)15-24(10-6-11-26-18-24)19-29-23-14-21(16-27-17-23)7-3-1-2-4-12-28/h5,8-9,13-14,16-17,26,28H,1-2,4,6,10-12,15,18-19H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520710 (CHEMBL4551353) Show SMILES Clc1cccc(CC2(COc3cncnc3)CCCNC2)c1 Show InChI InChI=1S/C17H20ClN3O/c18-15-4-1-3-14(7-15)8-17(5-2-6-19-11-17)12-22-16-9-20-13-21-10-16/h1,3-4,7,9-10,13,19H,2,5-6,8,11-12H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520720 (CHEMBL4557873) Show SMILES Clc1cccc(CC2(COc3cccnc3)CCCNC2)c1 Show InChI InChI=1S/C18H21ClN2O/c19-16-5-1-4-15(10-16)11-18(7-3-9-21-13-18)14-22-17-6-2-8-20-12-17/h1-2,4-6,8,10,12,21H,3,7,9,11,13-14H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520729 (CHEMBL4541936) Show SMILES OCCC#Cc1cncc(OCC2(Cc3cccc(Cl)c3)CCCNC2)c1 Show InChI InChI=1S/C22H25ClN2O2/c23-20-7-3-6-18(11-20)13-22(8-4-9-24-16-22)17-27-21-12-19(14-25-15-21)5-1-2-10-26/h3,6-7,11-12,14-15,24,26H,2,4,8-10,13,16-17H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520732 (CHEMBL4444365) Show SMILES FC(F)(F)c1cccc(CC2(COc3cccnc3)CCCNC2)c1 Show InChI InChI=1S/C19H21F3N2O/c20-19(21,22)16-5-1-4-15(10-16)11-18(7-3-9-24-13-18)14-25-17-6-2-8-23-12-17/h1-2,4-6,8,10,12,24H,3,7,9,11,13-14H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520716 (CHEMBL4467323) Show SMILES Clc1cccc(CC2(COc3cccnc3)CCCNC2)c1Cl Show InChI InChI=1S/C18H20Cl2N2O/c19-16-6-1-4-14(17(16)20)10-18(7-3-9-22-12-18)13-23-15-5-2-8-21-11-15/h1-2,4-6,8,11,22H,3,7,9-10,12-13H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520718 (CHEMBL4447538) Show SMILES Clc1ccc(CC2(COc3cccnc3)CCCNC2)cc1 Show InChI InChI=1S/C18H21ClN2O/c19-16-6-4-15(5-7-16)11-18(8-2-10-21-13-18)14-22-17-3-1-9-20-12-17/h1,3-7,9,12,21H,2,8,10-11,13-14H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520727 (CHEMBL4537917) Show SMILES Clc1cccc(CC2(COc3ccc(Br)nc3)CCCNC2)c1 Show InChI InChI=1S/C18H20BrClN2O/c19-17-6-5-16(11-22-17)23-13-18(7-2-8-21-12-18)10-14-3-1-4-15(20)9-14/h1,3-6,9,11,21H,2,7-8,10,12-13H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM223986 ((3R,4S)-1-[(1S)-7-fluoroindan-1-yl]-N,N-dimethyl-4...) Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C24H28FN3/c1-26(2)23-15-28(22-12-11-16-7-6-9-20(25)24(16)22)14-19(23)18-13-27(3)21-10-5-4-8-17(18)21/h4-10,13,19,22-23H,11-12,14-15H2,1-3H3/t19-,22+,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114144 BindingDB Entry DOI: 10.7270/Q2DN4921
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520719 (CHEMBL4452235) Show SMILES Cc1cccc(CC2(COc3cccnc3)CCCNC2)c1 Show InChI InChI=1S/C19H24N2O/c1-16-5-2-6-17(11-16)12-19(8-4-10-21-14-19)15-22-18-7-3-9-20-13-18/h2-3,5-7,9,11,13,21H,4,8,10,12,14-15H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520712 (CHEMBL4556242) Show SMILES OCCCC#Cc1cncc(OCC2(Cc3cccc(Cl)c3)CCCNC2)c1 Show InChI InChI=1S/C23H27ClN2O2/c24-21-8-4-7-19(12-21)14-23(9-5-10-25-17-23)18-28-22-13-20(15-26-16-22)6-2-1-3-11-27/h4,7-8,12-13,15-16,25,27H,1,3,5,9-11,14,17-18H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520731 (CHEMBL4558905) Show SMILES FC(F)(F)c1ccc(CC2(COc3cccnc3)CCCNC2)cc1 Show InChI InChI=1S/C19H21F3N2O/c20-19(21,22)16-6-4-15(5-7-16)11-18(8-2-10-24-13-18)14-25-17-3-1-9-23-12-17/h1,3-7,9,12,24H,2,8,10-11,13-14H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520706 (CHEMBL4437423) Show SMILES C(Oc1cccnc1)C1(Cc2ccc(cc2)-c2ccccc2)CCCNC1 Show InChI InChI=1S/C24H26N2O/c1-2-6-21(7-3-1)22-11-9-20(10-12-22)16-24(13-5-15-26-18-24)19-27-23-8-4-14-25-17-23/h1-4,6-12,14,17,26H,5,13,15-16,18-19H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520728 (CHEMBL4447431) Show SMILES Clc1ccccc1CC1(COc2cccnc2)CCCNC1 Show InChI InChI=1S/C18H21ClN2O/c19-17-7-2-1-5-15(17)11-18(8-4-10-21-13-18)14-22-16-6-3-9-20-12-16/h1-3,5-7,9,12,21H,4,8,10-11,13-14H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50564831 (CHEMBL4789019) Show SMILES [Br-].COc1cccc2cc[n+](cc12)-c1ccc(Br)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of AChE (unknown origin) using acetylthiocholineiodide substrate				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112415 BindingDB Entry DOI: 10.7270/Q27P9344
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520717 (CHEMBL4540765) Show SMILES Cc1ccc(CC2(COc3cccnc3)CCCNC2)cc1 Show InChI InChI=1S/C19H24N2O/c1-16-5-7-17(8-6-16)12-19(9-3-11-21-14-19)15-22-18-4-2-10-20-13-18/h2,4-8,10,13,21H,3,9,11-12,14-15H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520713 (CHEMBL4444981) Show SMILES OCCCCC#Cc1ccc(OCC2(Cc3cccc(Cl)c3)CCCNC2)cn1 Show InChI InChI=1S/C24H29ClN2O2/c25-21-8-5-7-20(15-21)16-24(12-6-13-26-18-24)19-29-23-11-10-22(27-17-23)9-3-1-2-4-14-28/h5,7-8,10-11,15,17,26,28H,1-2,4,6,12-14,16,18-19H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520711 (CHEMBL4579917) Show SMILES Clc1cccc(CC2(COc3ccncc3)CCCNC2)c1 Show InChI InChI=1S/C18H21ClN2O/c19-16-4-1-3-15(11-16)12-18(7-2-8-21-13-18)14-22-17-5-9-20-10-6-17/h1,3-6,9-11,21H,2,7-8,12-14H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520707 (CHEMBL4451952) Show SMILES FC(F)(F)c1ccccc1CC1(COc2cccnc2)CCCNC1 Show InChI InChI=1S/C19H21F3N2O/c20-19(21,22)17-7-2-1-5-15(17)11-18(8-4-10-24-13-18)14-25-16-6-3-9-23-12-16/h1-3,5-7,9,12,24H,4,8,10-11,13-14H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520721 (CHEMBL4448437) Show SMILES Cc1ccccc1CC1(COc2cccnc2)CCCNC1 Show InChI InChI=1S/C19H24N2O/c1-16-6-2-3-7-17(16)12-19(9-5-11-21-14-19)15-22-18-8-4-10-20-13-18/h2-4,6-8,10,13,21H,5,9,11-12,14-15H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520730 (CHEMBL4537587) Show SMILES Clc1cccc(CC2(COc3cncc(Br)c3)CCCNC2)c1 Show InChI InChI=1S/C18H20BrClN2O/c19-15-8-17(11-22-10-15)23-13-18(5-2-6-21-12-18)9-14-3-1-4-16(20)7-14/h1,3-4,7-8,10-11,21H,2,5-6,9,12-13H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50445876 (CHEMBL3105692) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(c(s2)C(=O)c2ccccc2Cl)-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C27H21Cl2NO4S2/c1-2-36(33,34)20-12-10-17(11-13-20)14-24(31)30-25-16-22(18-6-5-7-19(28)15-18)27(35-25)26(32)21-8-3-4-9-23(21)29/h3-13,15-16H,2,14H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 25-[26,27-3H]hydroxycholesterol from RORgammat receptor ligand binding domain (unknown origin) after 60 mins				Bioorg Med Chem 22: 692-702 (2014) Article DOI: 10.1016/j.bmc.2013.12.021 BindingDB Entry DOI: 10.7270/Q2Z039M7
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520733 (CHEMBL4449862) Show SMILES Clc1ccc(C[C@]2(COc3cccnc3)CCCNC2)cc1Cl |r| Show InChI InChI=1S/C18H20Cl2N2O/c19-16-5-4-14(9-17(16)20)10-18(6-2-8-22-12-18)13-23-15-3-1-7-21-11-15/h1,3-5,7,9,11,22H,2,6,8,10,12-13H2/t18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520714 (CHEMBL4533711) Show SMILES OCCC#Cc1ccc(OCC2(Cc3cccc(Cl)c3)CCCNC2)cn1 Show InChI InChI=1S/C22H25ClN2O2/c23-19-6-3-5-18(13-19)14-22(10-4-11-24-16-22)17-27-21-9-8-20(25-15-21)7-1-2-12-26/h3,5-6,8-9,13,15,24,26H,2,4,10-12,14,16-17H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM139040 (US8883784, 1) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C39H38N8O6S4/c1-45(2)19-18-26(23-54-27-10-4-3-5-11-27)40-31-16-15-28(21-34(31)47(50)51)57(52,53)44-37(49)33-24-55-39(42-33)46-20-17-25-9-8-12-29(30(25)22-46)36(48)43-38-41-32-13-6-7-14-35(32)56-38/h3-16,21,24,26,40H,17-20,22-23H2,1-2H3,(H,44,49)(H,41,43,48)/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak binding to GST-tagged BCL2 (unknown origin) measured after 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00162 BindingDB Entry DOI: 10.7270/Q2R78JW5
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50445875 (CHEMBL3105671) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(c(s2)C(=O)c2cccc(F)c2)-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C27H21ClFNO4S2/c1-2-36(33,34)22-11-9-17(10-12-22)13-24(31)30-25-16-23(18-5-3-7-20(28)14-18)27(35-25)26(32)19-6-4-8-21(29)15-19/h3-12,14-16H,2,13H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 25-[26,27-3H]hydroxycholesterol from RORgammat receptor ligand binding domain (unknown origin) after 60 mins				Bioorg Med Chem 22: 692-702 (2014) Article DOI: 10.1016/j.bmc.2013.12.021 BindingDB Entry DOI: 10.7270/Q2Z039M7
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50097699 (CHEMBL3590195) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccccc1)C(C)(C)C Show InChI InChI=1S/C35H49FN6O5S/c1-3-4-5-6-7-8-9-10-11-12-18-40(2)32(45)25-42-23-29(33(46)39-35(42)48-26-27-13-15-30(36)16-14-27)20-28-21-38-34(47)41(22-28)24-31(44)37-17-19-43/h13-16,21-23,43H,3-12,17-20,24-26H2,1-2H3,(H,37,44)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Displacement of radio-labeled U69,593 from rat kappa opioid receptor expressed in HEK293 cell membranes				Bioorg Med Chem 23: 3948-56 (2015) Article DOI: 10.1016/j.bmc.2014.12.033 BindingDB Entry DOI: 10.7270/Q2R49SJX
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50445877 (CHEMBL3105681) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2ccccc2Cl)-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C26H20Cl2N2O4S2/c1-2-36(33,34)19-12-10-16(11-13-19)14-22(31)29-26-30-23(17-6-5-7-18(27)15-17)25(35-26)24(32)20-8-3-4-9-21(20)28/h3-13,15H,2,14H2,1H3,(H,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 25-[26,27-3H]hydroxycholesterol from RORgammat receptor ligand binding domain (unknown origin) after 60 mins				Bioorg Med Chem 22: 692-702 (2014) Article DOI: 10.1016/j.bmc.2013.12.021 BindingDB Entry DOI: 10.7270/Q2Z039M7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM54817 (4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(p...) Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1 Show InChI InChI=1S/C27H33N3O3S/c1-21(2)30(20-24-7-5-4-6-8-24)18-17-28-27(31)25-13-11-23(12-14-25)19-29-34(32,33)26-15-9-22(3)10-16-26/h4-16,21,29H,17-20H2,1-3H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Displacement of radio-labeled U69,593 from rat kappa opioid receptor expressed in HEK293 cell membranes				Bioorg Med Chem 23: 3948-56 (2015) Article DOI: 10.1016/j.bmc.2014.12.033 BindingDB Entry DOI: 10.7270/Q2R49SJX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50097703 (CHEMBL3590199) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccc(Cl)cc1)C(C)(C)C Show InChI InChI=1S/C29H38FN5O3S/c1-4-6-7-8-9-10-15-34(3)26(36)20-35-19-24(16-23-17-31-28(32-18-23)38-5-2)27(37)33-29(35)39-21-22-11-13-25(30)14-12-22/h11-14,17-19H,4-10,15-16,20-21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Displacement of radio-labeled U69,593 from rat kappa opioid receptor expressed in HEK293 cell membranes				Bioorg Med Chem 23: 3948-56 (2015) Article DOI: 10.1016/j.bmc.2014.12.033 BindingDB Entry DOI: 10.7270/Q2R49SJX
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520726 (CHEMBL4520291) Show SMILES Clc1cccc(CC2(COc3ccccn3)CCCNC2)c1 Show InChI InChI=1S/C18H21ClN2O/c19-16-6-3-5-15(11-16)12-18(8-4-9-20-13-18)14-22-17-7-1-2-10-21-17/h1-3,5-7,10-11,20H,4,8-9,12-14H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520704 (CHEMBL4450187) Show SMILES Clc1cccc(CC2(COc3ccc4c(c3)[nH]c3ccccc43)CCCNC2)c1 Show InChI InChI=1S/C25H25ClN2O/c26-19-6-3-5-18(13-19)15-25(11-4-12-27-16-25)17-29-20-9-10-22-21-7-1-2-8-23(21)28-24(22)14-20/h1-3,5-10,13-14,27-28H,4,11-12,15-17H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520708 (CHEMBL4436100) Show SMILES OCCCC#Cc1ccc(OCC2(Cc3cccc(Cl)c3)CCCNC2)cn1 Show InChI InChI=1S/C23H27ClN2O2/c24-20-7-4-6-19(14-20)15-23(11-5-12-25-17-23)18-28-22-10-9-21(26-16-22)8-2-1-3-13-27/h4,6-7,9-10,14,16,25,27H,1,3,5,11-13,15,17-18H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520709 (CHEMBL4559380) Show SMILES Clc1cccc(CC2(COc3cncc(c3)-c3ccccc3)CCCNC2)c1 Show InChI InChI=1S/C24H25ClN2O/c25-22-9-4-6-19(12-22)14-24(10-5-11-26-17-24)18-28-23-13-21(15-27-16-23)20-7-2-1-3-8-20/h1-4,6-9,12-13,15-16,26H,5,10-11,14,17-18H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50520724 (CHEMBL4559828) Show SMILES Clc1ccc(CC2(COc3cccnc3)CCNCC2)cc1Cl Show InChI InChI=1S/C18H20Cl2N2O/c19-16-4-3-14(10-17(16)20)11-18(5-8-21-9-6-18)13-23-15-2-1-7-22-12-15/h1-4,7,10,12,21H,5-6,8-9,11,13H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine-binding protein incubated for 60 mins followed by 3 hrs incubation in dark condi...				Eur J Med Chem 160: 37-48 (2018) Article DOI: 10.1016/j.ejmech.2018.09.073 BindingDB Entry DOI: 10.7270/Q2QV3QXP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50097697 (CHEMBL3590193) Show SMILES CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccc(Br)cc1 Show InChI InChI=1S/C34H46FN7O4S/c1-4-5-6-7-8-9-14-39(3)30(43)23-42-22-28(32(45)37-34(42)47-25-26-10-12-29(35)13-11-26)19-27-20-36-33(46)41(21-27)24-31(44)40-17-15-38(2)16-18-40/h10-13,20-22H,4-9,14-19,23-25H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Displacement of radio-labeled U69,593 from rat kappa opioid receptor expressed in HEK293 cell membranes				Bioorg Med Chem 23: 3948-56 (2015) Article DOI: 10.1016/j.bmc.2014.12.033 BindingDB Entry DOI: 10.7270/Q2R49SJX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50564832 (CHEMBL3986155) Show SMILES [Br-].COc1cccc2CC[N+](=Cc12)c1ccc(Br)cc1 |c:9| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	88.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of AChE (unknown origin) using acetylthiocholineiodide substrate				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112415 BindingDB Entry DOI: 10.7270/Q27P9344
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM139041 (US8883784, 2) Show SMILES FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1 Show InChI InChI=1S/C42H40F3N7O7S5/c43-42(44,45)63(55,56)37-23-30(13-14-34(37)46-28(16-17-51-19-21-59-22-20-51)25-60-29-8-2-1-3-9-29)64(57,58)50-39(54)35-26-61-41(48-35)52-18-15-27-7-6-10-31(32(27)24-52)38(53)49-40-47-33-11-4-5-12-36(33)62-40/h1-14,23,26,28,46H,15-22,24-25H2,(H,50,54)(H,47,49,53)/t28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem Similars	Article PubMed	193	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak binding to GST-tagged BCL2 (unknown origin) measured after 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00162 BindingDB Entry DOI: 10.7270/Q2R78JW5
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50270877 ((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...) Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5| Show InChI InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of F-Bak binding to GST-tagged MCL1 (unknown origin) measured after 1 hr by TR-FRET assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00162 BindingDB Entry DOI: 10.7270/Q2R78JW5
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50300205 (7,8-Dimethoxy-5-methyl-1H-benzo[e]isoindole-1,3(2H...) Show SMILES COc1cc2c3C(=O)NC(=O)c3cc(C)c2cc1OC Show InChI InChI=1S/C15H13NO4/c1-7-4-10-13(15(18)16-14(10)17)9-6-12(20-3)11(19-2)5-8(7)9/h4-6H,1-3H3,(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	259	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3-beta at 1 uM by ATP competitive assay				J Med Chem 53: 994-1003 (2010) Article DOI: 10.1021/jm9013373 BindingDB Entry DOI: 10.7270/Q2K35VM7
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM54817 (4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(p...) Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1 Show InChI InChI=1S/C27H33N3O3S/c1-21(2)30(20-24-7-5-4-6-8-24)18-17-28-27(31)25-13-11-23(12-14-25)19-29-34(32,33)26-15-9-22(3)10-16-26/h4-16,21,29H,17-20H2,1-3H3,(H,28,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	306	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor (unknown origin)				Bioorg Med Chem 23: 3948-56 (2015) Article DOI: 10.1016/j.bmc.2014.12.033 BindingDB Entry DOI: 10.7270/Q2R49SJX
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50595217 (CHEMBL5196242) Show SMILES CC(C)(C)n1nc(-c2cccc(NC(=O)C(=C\c3ccccc3O)\C#N)c2)c2c1nc[nH]c2=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128803 BindingDB Entry DOI: 10.7270/Q2NZ8CN8
					More data for this Ligand-Target Pair

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