Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'ratnayake' 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
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM35723 (CHEMBL344159 | N-[4-(7-Chloro-5-hydroxy-2,3,4,5-te...) Show SMILES Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1 Show InChI InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.00700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human AVPR2 by PathHunter beta-arrestin assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115546 BindingDB Entry DOI: 10.7270/Q2F193D1
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin E using Mca-Gly-Lys-Pro-Ile-Leu-Phe-Phe-Arg-Leu-Lys-(Dnp)-D-Arg-NH2 as substrate preincubated for 15 mins f...				Bioorg Med Chem 24: 3276-82 (2016) Article DOI: 10.1016/j.bmc.2016.04.062 BindingDB Entry DOI: 10.7270/Q2QZ2CWR
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin D using Mca-Gly-Lys-Pro-Ile-Leu-Phe-Phe-Arg-Leu-Lys-(Dnp)-D-Arg-NH2 as substrate preincubated for 15 mins followe...				Bioorg Med Chem 24: 3276-82 (2016) Article DOI: 10.1016/j.bmc.2016.04.062 BindingDB Entry DOI: 10.7270/Q2QZ2CWR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50098414 (CHEMBL3593247) Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of recombinant full length C-terminal His/FLAG-tagged human HDAC1 expressed in baculovirus infected Sf9 insect cells using BPS HDAC substr...				Bioorg Med Chem 25: 3077-3086 (2017) Article DOI: 10.1016/j.bmc.2017.03.071 BindingDB Entry DOI: 10.7270/Q2M047MP
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50098414 (CHEMBL3593247) Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Duke University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged/C-terminal His-tagged human HDAC10 (1 to 481 residues) expressed in baculovirus infected Sf9 insect cells using B...				Bioorg Med Chem 25: 3077-3086 (2017) Article DOI: 10.1016/j.bmc.2017.03.071 BindingDB Entry DOI: 10.7270/Q2M047MP
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50098414 (CHEMBL3593247) Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in baculovirus infected Sf9 i...				Bioorg Med Chem 25: 3077-3086 (2017) Article DOI: 10.1016/j.bmc.2017.03.071 BindingDB Entry DOI: 10.7270/Q2M047MP
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50098414 (CHEMBL3593247) Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal FLAG-tagged human HDAC2 expressed in baculovirus infected Sf9 insect cells using BPS HDAC substrate 3 after 30 m...				Bioorg Med Chem 25: 3077-3086 (2017) Article DOI: 10.1016/j.bmc.2017.03.071 BindingDB Entry DOI: 10.7270/Q2M047MP
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50242139 (CHEMBL4078721) Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCSCCS)n2 |r,c:11| Show InChI InChI=1S/C23H32N4O4S4/c1-14(2)19-21(29)31-15(6-4-5-8-33-9-7-32)10-17(28)24-11-18-25-16(12-34-18)20-27-23(3,13-35-20)22(30)26-19/h4,6,12,14-15,19,32H,5,7-11,13H2,1-3H3,(H,24,28)(H,26,30)/b6-4+/t15-,19+,23+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged/C-terminal His-tagged human HDAC10 (1 to 481 residues) expressed in baculovirus infected Sf9 insect cells using B...				Bioorg Med Chem 25: 3077-3086 (2017) Article DOI: 10.1016/j.bmc.2017.03.071 BindingDB Entry DOI: 10.7270/Q2M047MP
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50559938 (CHEMBL154668) Show SMILES Cc1ccccc1N1CCN(CC1)S(=O)(=O)CC12CCC(C[C@@H]1NC(=O)[C@@H](N)CCS(C)(=O)=O)C2(C)C |r,TLB:23:22:18.19:34| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human OXTR expressed in CHO-K1 cells by PathHunter beta-arrestin assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115546 BindingDB Entry DOI: 10.7270/Q2F193D1
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50400221 (CHEMBL2181015) Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C |r| Show InChI InChI=1S/C50H74N8O12/c1-29(2)25-36(45(64)52-31(5)47(66)57(8)39(27-34-19-14-11-15-20-34)48(67)58-24-16-21-38(58)50(69)70-9)53-42(62)28-40(60)35(26-33-17-12-10-13-18-33)54-46(65)37(22-23-41(51)61)56(7)49(68)43(30(3)4)55-44(63)32(6)59/h10-15,17-20,29-32,35-40,43,59-60H,16,21-28H2,1-9H3,(H2,51,61)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/t31-,32-,35-,36-,37-,38-,39+,40-,43-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin E using Mca-Gly-Lys-Pro-Ile-Leu-Phe-Phe-Arg-Leu-Lys-(Dnp)-D-Arg-NH2 as substrate preincubated for 15 mins f...				Bioorg Med Chem 24: 3276-82 (2016) Article DOI: 10.1016/j.bmc.2016.04.062 BindingDB Entry DOI: 10.7270/Q2QZ2CWR
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50242138 (CHEMBL4099942) Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCC(=O)NO)n2 |r,c:11| Show InChI InChI=1S/C22H29N5O6S2/c1-12(2)18-20(30)33-13(6-4-5-7-15(28)27-32)8-16(29)23-9-17-24-14(10-34-17)19-26-22(3,11-35-19)21(31)25-18/h4,6,10,12-13,18,32H,5,7-9,11H2,1-3H3,(H,23,29)(H,25,31)(H,27,28)/b6-4+/t13-,18+,22+/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged/C-terminal His-tagged human HDAC10 (1 to 481 residues) expressed in baculovirus infected Sf9 insect cells using B...				Bioorg Med Chem 25: 3077-3086 (2017) Article DOI: 10.1016/j.bmc.2017.03.071 BindingDB Entry DOI: 10.7270/Q2M047MP
					More data for this Ligand-Target Pair
Cathepsin E (Homo sapiens (Human))	BDBM50178261 (CHEMBL3813928) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)[C@@H](C)CC)C(=O)NCC(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC |r| Show InChI InChI=1S/C50H74N8O12/c1-9-30(3)43(47(66)52-29-42(63)56(6)38(27-34-20-15-12-16-21-34)48(67)58-25-17-22-37(58)50(69)70-8)54-41(62)28-39(60)35(26-33-18-13-11-14-19-33)53-46(65)36(23-24-40(51)61)57(7)49(68)44(31(4)10-2)55-45(64)32(5)59/h11-16,18-21,30-32,35-39,43-44,59-60H,9-10,17,22-29H2,1-8H3,(H2,51,61)(H,52,66)(H,53,65)(H,54,62)(H,55,64)/t30-,31-,32-,35-,36-,37-,38+,39-,43-,44-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin E using Mca-Gly-Lys-Pro-Ile-Leu-Phe-Phe-Arg-Leu-Lys-(Dnp)-D-Arg-NH2 as substrate preincubated for 15 mins f...				Bioorg Med Chem 24: 3276-82 (2016) Article DOI: 10.1016/j.bmc.2016.04.062 BindingDB Entry DOI: 10.7270/Q2QZ2CWR
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50242138 (CHEMBL4099942) Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCC(=O)NO)n2 |r,c:11| Show InChI InChI=1S/C22H29N5O6S2/c1-12(2)18-20(30)33-13(6-4-5-7-15(28)27-32)8-16(29)23-9-17-24-14(10-34-17)19-26-22(3,11-35-19)21(31)25-18/h4,6,10,12-13,18,32H,5,7-9,11H2,1-3H3,(H,23,29)(H,25,31)(H,27,28)/b6-4+/t13-,18+,22+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of recombinant full length C-terminal His/FLAG-tagged human HDAC1 expressed in baculovirus infected Sf9 insect cells using BPS HDAC substr...				Bioorg Med Chem 25: 3077-3086 (2017) Article DOI: 10.1016/j.bmc.2017.03.071 BindingDB Entry DOI: 10.7270/Q2M047MP
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50242138 (CHEMBL4099942) Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCC(=O)NO)n2 |r,c:11| Show InChI InChI=1S/C22H29N5O6S2/c1-12(2)18-20(30)33-13(6-4-5-7-15(28)27-32)8-16(29)23-9-17-24-14(10-34-17)19-26-22(3,11-35-19)21(31)25-18/h4,6,10,12-13,18,32H,5,7-9,11H2,1-3H3,(H,23,29)(H,25,31)(H,27,28)/b6-4+/t13-,18+,22+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in baculovirus infected Sf9 i...				Bioorg Med Chem 25: 3077-3086 (2017) Article DOI: 10.1016/j.bmc.2017.03.071 BindingDB Entry DOI: 10.7270/Q2M047MP
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50242139 (CHEMBL4078721) Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCSCCS)n2 |r,c:11| Show InChI InChI=1S/C23H32N4O4S4/c1-14(2)19-21(29)31-15(6-4-5-8-33-9-7-32)10-17(28)24-11-18-25-16(12-34-18)20-27-23(3,13-35-20)22(30)26-19/h4,6,12,14-15,19,32H,5,7-11,13H2,1-3H3,(H,24,28)(H,26,30)/b6-4+/t15-,19+,23+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of recombinant full length C-terminal His/FLAG-tagged human HDAC1 expressed in baculovirus infected Sf9 insect cells using BPS HDAC substr...				Bioorg Med Chem 25: 3077-3086 (2017) Article DOI: 10.1016/j.bmc.2017.03.071 BindingDB Entry DOI: 10.7270/Q2M047MP
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50098414 (CHEMBL3593247) Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of full length N-terminal GST-tagged human HDAC6 expressed in baculovirus infected Sf9 insect cells using HDAC substrate 3 after 30 mins b...				Bioorg Med Chem 25: 3077-3086 (2017) Article DOI: 10.1016/j.bmc.2017.03.071 BindingDB Entry DOI: 10.7270/Q2M047MP
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50242139 (CHEMBL4078721) Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCSCCS)n2 |r,c:11| Show InChI InChI=1S/C23H32N4O4S4/c1-14(2)19-21(29)31-15(6-4-5-8-33-9-7-32)10-17(28)24-11-18-25-16(12-34-18)20-27-23(3,13-35-20)22(30)26-19/h4,6,12,14-15,19,32H,5,7-11,13H2,1-3H3,(H,24,28)(H,26,30)/b6-4+/t15-,19+,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of full length human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in baculovirus infected Sf9 i...				Bioorg Med Chem 25: 3077-3086 (2017) Article DOI: 10.1016/j.bmc.2017.03.071 BindingDB Entry DOI: 10.7270/Q2M047MP
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50400221 (CHEMBL2181015) Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C |r| Show InChI InChI=1S/C50H74N8O12/c1-29(2)25-36(45(64)52-31(5)47(66)57(8)39(27-34-19-14-11-15-20-34)48(67)58-24-16-21-38(58)50(69)70-9)53-42(62)28-40(60)35(26-33-17-12-10-13-18-33)54-46(65)37(22-23-41(51)61)56(7)49(68)43(30(3)4)55-44(63)32(6)59/h10-15,17-20,29-32,35-40,43,59-60H,16,21-28H2,1-9H3,(H2,51,61)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/t31-,32-,35-,36-,37-,38-,39+,40-,43-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin D using Mca-Gly-Lys-Pro-Ile-Leu-Phe-Phe-Arg-Leu-Lys-(Dnp)-D-Arg-NH2 as substrate preincubated for 15 mins followe...				Bioorg Med Chem 24: 3276-82 (2016) Article DOI: 10.1016/j.bmc.2016.04.062 BindingDB Entry DOI: 10.7270/Q2QZ2CWR
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50178261 (CHEMBL3813928) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)[C@@H](C)CC)C(=O)NCC(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC |r| Show InChI InChI=1S/C50H74N8O12/c1-9-30(3)43(47(66)52-29-42(63)56(6)38(27-34-20-15-12-16-21-34)48(67)58-25-17-22-37(58)50(69)70-8)54-41(62)28-39(60)35(26-33-18-13-11-14-19-33)53-46(65)36(23-24-40(51)61)57(7)49(68)44(31(4)10-2)55-45(64)32(5)59/h11-16,18-21,30-32,35-39,43-44,59-60H,9-10,17,22-29H2,1-8H3,(H2,51,61)(H,52,66)(H,53,65)(H,54,62)(H,55,64)/t30-,31-,32-,35-,36-,37-,38+,39-,43-,44-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin D using Mca-Gly-Lys-Pro-Ile-Leu-Phe-Phe-Arg-Leu-Lys-(Dnp)-D-Arg-NH2 as substrate preincubated for 15 mins followe...				Bioorg Med Chem 24: 3276-82 (2016) Article DOI: 10.1016/j.bmc.2016.04.062 BindingDB Entry DOI: 10.7270/Q2QZ2CWR
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50242138 (CHEMBL4099942) Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCC(=O)NO)n2 |r,c:11| Show InChI InChI=1S/C22H29N5O6S2/c1-12(2)18-20(30)33-13(6-4-5-7-15(28)27-32)8-16(29)23-9-17-24-14(10-34-17)19-26-22(3,11-35-19)21(31)25-18/h4,6,10,12-13,18,32H,5,7-9,11H2,1-3H3,(H,23,29)(H,25,31)(H,27,28)/b6-4+/t13-,18+,22+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal FLAG-tagged human HDAC2 expressed in baculovirus infected Sf9 insect cells using BPS HDAC substrate 3 after 30 m...				Bioorg Med Chem 25: 3077-3086 (2017) Article DOI: 10.1016/j.bmc.2017.03.071 BindingDB Entry DOI: 10.7270/Q2M047MP
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50400221 (CHEMBL2181015) Show SMILES COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C |r| Show InChI InChI=1S/C50H74N8O12/c1-29(2)25-36(45(64)52-31(5)47(66)57(8)39(27-34-19-14-11-15-20-34)48(67)58-24-16-21-38(58)50(69)70-9)53-42(62)28-40(60)35(26-33-17-12-10-13-18-33)54-46(65)37(22-23-41(51)61)56(7)49(68)43(30(3)4)55-44(63)32(6)59/h10-15,17-20,29-32,35-40,43,59-60H,16,21-28H2,1-9H3,(H2,51,61)(H,52,64)(H,53,62)(H,54,65)(H,55,63)/t31-,32-,35-,36-,37-,38-,39+,40-,43-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using peptide substrate by time-course measurement-based fluorescence analysis				Bioorg Med Chem 24: 3276-82 (2016) Article DOI: 10.1016/j.bmc.2016.04.062 BindingDB Entry DOI: 10.7270/Q2QZ2CWR
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50242139 (CHEMBL4078721) Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCSCCS)n2 |r,c:11| Show InChI InChI=1S/C23H32N4O4S4/c1-14(2)19-21(29)31-15(6-4-5-8-33-9-7-32)10-17(28)24-11-18-25-16(12-34-18)20-27-23(3,13-35-20)22(30)26-19/h4,6,12,14-15,19,32H,5,7-11,13H2,1-3H3,(H,24,28)(H,26,30)/b6-4+/t15-,19+,23+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal FLAG-tagged human HDAC2 expressed in baculovirus infected Sf9 insect cells using BPS HDAC substrate 3 after 30 m...				Bioorg Med Chem 25: 3077-3086 (2017) Article DOI: 10.1016/j.bmc.2017.03.071 BindingDB Entry DOI: 10.7270/Q2M047MP
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50098414 (CHEMBL3593247) Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2 |r,c:11| Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17+,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His-tagged human HDAC8 expressed in baculovirus infected Sf9 insect cells using BPS HDAC class 2a substrate afte...				Bioorg Med Chem 25: 3077-3086 (2017) Article DOI: 10.1016/j.bmc.2017.03.071 BindingDB Entry DOI: 10.7270/Q2M047MP
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16034 (1-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phen...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using peptide substrate by time-course measurement-based fluorescence analysis				Bioorg Med Chem 24: 3276-82 (2016) Article DOI: 10.1016/j.bmc.2016.04.062 BindingDB Entry DOI: 10.7270/Q2QZ2CWR
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50559936 (CHEMBL4744046) Show SMILES [H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@]([H])(N(C2)C#N)c1[nH]c2ccccc2c1CCn1cc(nn1)-c1cccc(Cl)c1 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at HTR2C in human U2OS cells by PathHunter beta-arrestin assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115546 BindingDB Entry DOI: 10.7270/Q2F193D1
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50559937 (CHEMBL4758081) Show SMILES [H][C@@]12C[C@]3([H])[C@H]([C@H](CC[C@@]3([H])CN1CC[C@@]21C(=O)N(Cc2cccc(OC)c2)c2ccccc12)OCc1cccc(OC)c1)C(=O)OC |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	459	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human AVPR2 by PathHunter beta-arrestin assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115546 BindingDB Entry DOI: 10.7270/Q2F193D1
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50242138 (CHEMBL4099942) Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCC(=O)NO)n2 |r,c:11| Show InChI InChI=1S/C22H29N5O6S2/c1-12(2)18-20(30)33-13(6-4-5-7-15(28)27-32)8-16(29)23-9-17-24-14(10-34-17)19-26-22(3,11-35-19)21(31)25-18/h4,6,10,12-13,18,32H,5,7-9,11H2,1-3H3,(H,23,29)(H,25,31)(H,27,28)/b6-4+/t13-,18+,22+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of full length N-terminal GST-tagged human HDAC6 expressed in baculovirus infected Sf9 insect cells using HDAC substrate 3 after 30 mins b...				Bioorg Med Chem 25: 3077-3086 (2017) Article DOI: 10.1016/j.bmc.2017.03.071 BindingDB Entry DOI: 10.7270/Q2M047MP
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50178261 (CHEMBL3813928) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)[C@@H](C)CC)C(=O)NCC(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC |r| Show InChI InChI=1S/C50H74N8O12/c1-9-30(3)43(47(66)52-29-42(63)56(6)38(27-34-20-15-12-16-21-34)48(67)58-25-17-22-37(58)50(69)70-8)54-41(62)28-39(60)35(26-33-18-13-11-14-19-33)53-46(65)36(23-24-40(51)61)57(7)49(68)44(31(4)10-2)55-45(64)32(5)59/h11-16,18-21,30-32,35-39,43-44,59-60H,9-10,17,22-29H2,1-8H3,(H2,51,61)(H,52,66)(H,53,65)(H,54,62)(H,55,64)/t30-,31-,32-,35-,36-,37-,38+,39-,43-,44-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) using peptide substrate by time-course measurement-based fluorescence analysis				Bioorg Med Chem 24: 3276-82 (2016) Article DOI: 10.1016/j.bmc.2016.04.062 BindingDB Entry DOI: 10.7270/Q2QZ2CWR
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM32628 (FTC | Fumitremorgin C) Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])Cc3c([nH]c4cc(OC)ccc34)[C@H](C=C(C)C)N1C2=O |wU:8.9,1.0,wD:22.25,(21.14,-14.06,;22.39,-14.97,;22.72,-13.41,;24.31,-13.24,;24.96,-14.7,;23.78,-15.77,;23.76,-17.37,;25.09,-18.16,;22.36,-18.15,;23.69,-18.93,;22.36,-19.69,;21.03,-20.46,;19.7,-19.69,;18.56,-20.72,;19.18,-22.12,;18.51,-23.56,;19.44,-24.86,;18.81,-26.27,;19.7,-27.52,;21.02,-24.7,;21.66,-23.24,;20.71,-21.96,;19.7,-18.15,;18.36,-17.38,;17.03,-18.15,;15.7,-17.38,;17.03,-19.69,;21.03,-17.38,;21,-15.78,;19.66,-15.02,)| Show InChI InChI=1S/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3/t17-,18-,19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Center for Cancer Research, NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of ABCG2 expressed in human NCI-H460 cells assessed as inhibition of PhA accumulation after 2 to 20 hrs relative to fumitremorgin C				J Nat Prod 74: 262-6 (2011) Article DOI: 10.1021/np100797y BindingDB Entry DOI: 10.7270/Q2VM4CJT
					More data for this Ligand-Target Pair
fMet-Leu-Phe receptor (Homo sapiens (Human))	BDBM50511108 (CHEMBL4558185) Show SMILES [H][C@]12N(CCC[C@@]1(CC)C=C(C(=O)OC)n1c2c(CCNC(=O)c2ccc(Br)cc2)c2ccccc12)C#N |r,t:10| Show InChI InChI=1S/C29H29BrN4O3/c1-3-29-14-6-16-33(18-31)26(29)25-22(13-15-32-27(35)19-9-11-20(30)12-10-19)21-7-4-5-8-23(21)34(25)24(17-29)28(36)37-2/h4-5,7-12,17,26H,3,6,13-16H2,1-2H3,(H,32,35)/t26-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Antagonist activity at human Gi/o-coupled FPR1 expressed in CHOK1 cells assessed as reduction in WKYMVm-NH2-induced beta-arrestin 2 recruitment incub...				J Med Chem 63: 5119-5138 (2020) Article DOI: 10.1021/acs.jmedchem.9b01924 BindingDB Entry DOI: 10.7270/Q2J969PN
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50559937 (CHEMBL4758081) Show SMILES [H][C@@]12C[C@]3([H])[C@H]([C@H](CC[C@@]3([H])CN1CC[C@@]21C(=O)N(Cc2cccc(OC)c2)c2ccccc12)OCc1cccc(OC)c1)C(=O)OC |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human OXTR expressed in CHO-K1 cells by PathHunter beta-arrestin assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115546 BindingDB Entry DOI: 10.7270/Q2F193D1
					More data for this Ligand-Target Pair
Transcription factor Jun (Homo sapiens (Human))	BDBM50341205 (CHEMBL1765574 | nagilactone F) Show SMILES CC(C)[C@H]1OC(=O)C=C2C1=C[C@H]1OC(=O)[C@@]3(C)CCC[C@@]2(C)[C@@H]13 |r,c:7,t:10| Show InChI InChI=1S/C19H24O4/c1-10(2)15-11-8-13-16-18(3,12(11)9-14(20)23-15)6-5-7-19(16,4)17(21)22-13/h8-10,13,15-16H,5-7H2,1-4H3/t13-,15-,16-,18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of TPA-induced AP-1 activation in cells expressing beta-lactamase after 18 hrs using FRET substrate by cell-based high-throughput screenin...				J Nat Prod 74: 374-7 (2011) Article DOI: 10.1021/np100736y BindingDB Entry DOI: 10.7270/Q21N81FR
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50511107 (CHEMBL4592258) Show SMILES CC[C@]12CC(=O)N(Cc3cn(Cc4ccccc4)nn3)[C@@]11N(CCC2)CCc2c1[nH]c1ccccc21 |r| Show InChI InChI=1S/C29H32N6O/c1-2-28-14-8-15-33-16-13-24-23-11-6-7-12-25(23)30-27(24)29(28,33)35(26(36)17-28)20-22-19-34(32-31-22)18-21-9-4-3-5-10-21/h3-7,9-12,19,30H,2,8,13-18,20H2,1H3/t28-,29+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Antagonist activity at human Gq-coupled HCRTR2 expressed in CHOK1 cells assessed as inhibition in Orexin A-induced beta-arrestin 2 recruitment incuba...				J Med Chem 63: 5119-5138 (2020) Article DOI: 10.1021/acs.jmedchem.9b01924 BindingDB Entry DOI: 10.7270/Q2J969PN
					More data for this Ligand-Target Pair
Prolactin-releasing peptide receptor (Homo sapiens (Human))	BDBM50511108 (CHEMBL4558185) Show SMILES [H][C@]12N(CCC[C@@]1(CC)C=C(C(=O)OC)n1c2c(CCNC(=O)c2ccc(Br)cc2)c2ccccc12)C#N |r,t:10| Show InChI InChI=1S/C29H29BrN4O3/c1-3-29-14-6-16-33(18-31)26(29)25-22(13-15-32-27(35)19-9-11-20(30)12-10-19)21-7-4-5-8-23(21)34(25)24(17-29)28(36)37-2/h4-5,7-12,17,26H,3,6,13-16H2,1-2H3,(H,32,35)/t26-,29+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Antagonist activity at human Gq-coupled PRLHR expressed in CHOK1 cells assessed as inhibition in prolactin releasing peptide (1 to 31)-induced beta-a...				J Med Chem 63: 5119-5138 (2020) Article DOI: 10.1021/acs.jmedchem.9b01924 BindingDB Entry DOI: 10.7270/Q2J969PN
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50242139 (CHEMBL4078721) Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCSCCS)n2 |r,c:11| Show InChI InChI=1S/C23H32N4O4S4/c1-14(2)19-21(29)31-15(6-4-5-8-33-9-7-32)10-17(28)24-11-18-25-16(12-34-18)20-27-23(3,13-35-20)22(30)26-19/h4,6,12,14-15,19,32H,5,7-11,13H2,1-3H3,(H,24,28)(H,26,30)/b6-4+/t15-,19+,23+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of full length N-terminal GST-tagged human HDAC6 expressed in baculovirus infected Sf9 insect cells using HDAC substrate 3 after 30 mins b...				Bioorg Med Chem 25: 3077-3086 (2017) Article DOI: 10.1016/j.bmc.2017.03.071 BindingDB Entry DOI: 10.7270/Q2M047MP
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM19460 ((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1 |r| Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Center for Cancer Research, NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of ABCG2 expressed in human NCI-H460 cells assessed as inhibition of PhA accumulation after 2 to 20 hrs relative to fumitremorgin C				J Nat Prod 74: 262-6 (2011) Article DOI: 10.1021/np100797y BindingDB Entry DOI: 10.7270/Q2VM4CJT
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50242138 (CHEMBL4099942) Show SMILES CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCC(=O)NO)n2 |r,c:11| Show InChI InChI=1S/C22H29N5O6S2/c1-12(2)18-20(30)33-13(6-4-5-7-15(28)27-32)8-16(29)23-9-17-24-14(10-34-17)19-26-22(3,11-35-19)21(31)25-18/h4,6,10,12-13,18,32H,5,7-9,11H2,1-3H3,(H,23,29)(H,25,31)(H,27,28)/b6-4+/t13-,18+,22+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duke University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His-tagged human HDAC8 expressed in baculovirus infected Sf9 insect cells using BPS HDAC class 2a substrate afte...				Bioorg Med Chem 25: 3077-3086 (2017) Article DOI: 10.1016/j.bmc.2017.03.071 BindingDB Entry DOI: 10.7270/Q2M047MP
					More data for this Ligand-Target Pair
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50511106 (CHEMBL4527708) Show SMILES CC[C@]12CC(=O)n3c([C@@H]1OC)c(CCN(CCC2)C(=O)c1cccc(Br)c1)c1ccccc31 |r| Show InChI InChI=1S/C27H29BrN2O3/c1-3-27-13-7-14-29(26(32)18-8-6-9-19(28)16-18)15-12-21-20-10-4-5-11-22(20)30(23(31)17-27)24(21)25(27)33-2/h4-6,8-11,16,25H,3,7,12-15,17H2,1-2H3/t25-,27-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Antagonist activity at human Gq-coupled NPSR1b expressed in human U2OS cells assessed as inhibition in neuropeptide S-induced beta-arrestin 2 recruit...				J Med Chem 63: 5119-5138 (2020) Article DOI: 10.1021/acs.jmedchem.9b01924 BindingDB Entry DOI: 10.7270/Q2J969PN
					More data for this Ligand-Target Pair
Transcription factor Jun (Homo sapiens (Human))	BDBM50341206 (CHEMBL1765575 | inumakilactone) Show SMILES CC(C)[C@H]1OC(=O)C=C2[C@@]11O[C@@H]1[C@H]1OC(=O)[C@]3(C)[C@H]1[C@]2(C)[C@@H]1O[C@@H]1[C@@H]3O |r,c:7| Show InChI InChI=1S/C19H22O7/c1-6(2)13-19-7(5-8(20)23-13)17(3)11-9(15(19)26-19)25-16(22)18(11,4)12(21)10-14(17)24-10/h5-6,9-15,21H,1-4H3/t9-,10+,11+,12-,13+,14+,15+,17+,18+,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of TPA-induced AP-1 activation in cells expressing beta-lactamase after 18 hrs using FRET substrate by cell-based high-throughput screenin...				J Nat Prod 74: 374-7 (2011) Article DOI: 10.1021/np100736y BindingDB Entry DOI: 10.7270/Q21N81FR
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50339152 ((S)-2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-6,8-bis(...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1cc(-[#8])cc(-[#8])c1 |r| Show InChI InChI=1S/C25H28O6/c1-13(2)5-7-18-23(29)19(8-6-14(3)4)25-22(24(18)30)20(28)12-21(31-25)15-9-16(26)11-17(27)10-15/h5-6,9-11,21,26-27,29-30H,7-8,12H2,1-4H3/t21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Center for Cancer Research, NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of ABCG2 expressed in human NCI-H460 cells assessed as inhibition of PhA accumulation after 2 to 20 hrs relative to fumitremorgin C				J Nat Prod 74: 262-6 (2011) Article DOI: 10.1021/np100797y BindingDB Entry DOI: 10.7270/Q2VM4CJT
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50511106 (CHEMBL4527708) Show SMILES CC[C@]12CC(=O)n3c([C@@H]1OC)c(CCN(CCC2)C(=O)c1cccc(Br)c1)c1ccccc31 |r| Show InChI InChI=1S/C27H29BrN2O3/c1-3-27-13-7-14-29(26(32)18-8-6-9-19(28)16-18)15-12-21-20-10-4-5-11-22(20)30(23(31)17-27)24(21)25(27)33-2/h4-6,8-11,16,25H,3,7,12-15,17H2,1-2H3/t25-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Antagonist activity at human Gq-coupled HRH1 expressed in CHOK1 cells assessed as inhibition in Orexin A-induced beta-arrestin 2 recruitment incubate...				J Med Chem 63: 5119-5138 (2020) Article DOI: 10.1021/acs.jmedchem.9b01924 BindingDB Entry DOI: 10.7270/Q2J969PN
					More data for this Ligand-Target Pair
Glucose-dependent insulinotropic receptor (Homo sapiens (Human))	BDBM50511106 (CHEMBL4527708) Show SMILES CC[C@]12CC(=O)n3c([C@@H]1OC)c(CCN(CCC2)C(=O)c1cccc(Br)c1)c1ccccc31 |r| Show InChI InChI=1S/C27H29BrN2O3/c1-3-27-13-7-14-29(26(32)18-8-6-9-19(28)16-18)15-12-21-20-10-4-5-11-22(20)30(23(31)17-27)24(21)25(27)33-2/h4-6,8-11,16,25H,3,7,12-15,17H2,1-2H3/t25-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Antagonist activity at human GPR119 expressed in human HEK293 cells assessed as inhibition in agonist-induced beta-arrestin 2 recruitment incubated f...				J Med Chem 63: 5119-5138 (2020) Article DOI: 10.1021/acs.jmedchem.9b01924 BindingDB Entry DOI: 10.7270/Q2J969PN
					More data for this Ligand-Target Pair
Prolactin-releasing peptide receptor (Homo sapiens (Human))	BDBM50559935 (CHEMBL4780505) Show SMILES [H][C@@]12CC[C@H](O)[C@H](C(=O)OC)[C@@]1([H])C[C@@H](OCc1ccc(Br)cc1)c1[nH]c3ccccc3c1CCN(C2)C#N |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human PRLHR expressed in CHO-K1 cells by PathHunter beta-arrestin assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115546 BindingDB Entry DOI: 10.7270/Q2F193D1
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50511106 (CHEMBL4527708) Show SMILES CC[C@]12CC(=O)n3c([C@@H]1OC)c(CCN(CCC2)C(=O)c1cccc(Br)c1)c1ccccc31 |r| Show InChI InChI=1S/C27H29BrN2O3/c1-3-27-13-7-14-29(26(32)18-8-6-9-19(28)16-18)15-12-21-20-10-4-5-11-22(20)30(23(31)17-27)24(21)25(27)33-2/h4-6,8-11,16,25H,3,7,12-15,17H2,1-2H3/t25-,27-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Antagonist activity at human Gi/o-coupled CNR1 expressed in CHOK1 cells assessed as inhibition in CP55940-induced beta-arrestin 2 recruitment incubat...				J Med Chem 63: 5119-5138 (2020) Article DOI: 10.1021/acs.jmedchem.9b01924 BindingDB Entry DOI: 10.7270/Q2J969PN
					More data for this Ligand-Target Pair
Transcription factor Jun (Homo sapiens (Human))	BDBM50352478 (CHEMBL1823866) Show SMILES CC[C@H]1NC(=O)[C@@H]2CSC(=N2)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)OC(=O)[C@H](C)[C@@H](C)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CSC1=N2)C(C)C |r,c:9,t:81| Show InChI InChI=1S/C60H79N9O9S2/c1-11-42-54-64-44(34-79-54)56(73)66(8)46(30-39-22-15-12-16-23-39)52(71)65-49(35(2)3)53(72)61-38(7)37(6)60(77)78-48(32-41-26-19-14-20-27-41)58(75)68(10)50(36(4)5)59(76)69-29-21-28-45(69)57(74)67(9)47(31-40-24-17-13-18-25-40)55-63-43(33-80-55)51(70)62-42/h12-20,22-27,35-38,42-50H,11,21,28-34H2,1-10H3,(H,61,72)(H,62,70)(H,65,71)/t37-,38-,42-,43+,44+,45+,46-,47-,48+,49-,50+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of AP1 expressed in HEK293T cells coexpressing beta-lactamase pre-incubated 1 hr before TPA addition measured 18 hrs post TPA challenge by...				J Nat Prod 74: 1686-91 (2011) Article DOI: 10.1021/np2005083 BindingDB Entry DOI: 10.7270/Q2GM87P2
					More data for this Ligand-Target Pair
C-C chemokine receptor type 8 (Homo sapiens (Human))	BDBM50511108 (CHEMBL4558185) Show SMILES [H][C@]12N(CCC[C@@]1(CC)C=C(C(=O)OC)n1c2c(CCNC(=O)c2ccc(Br)cc2)c2ccccc12)C#N |r,t:10| Show InChI InChI=1S/C29H29BrN4O3/c1-3-29-14-6-16-33(18-31)26(29)25-22(13-15-32-27(35)19-9-11-20(30)12-10-19)21-7-4-5-8-23(21)34(25)24(17-29)28(36)37-2/h4-5,7-12,17,26H,3,6,13-16H2,1-2H3,(H,32,35)/t26-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Antagonist activity at human CCR8 expressed in CHOK1 cells assessed as reduction in CCL1-induced beta-arrestin 2 recruitment incubated for 30 mins fo...				J Med Chem 63: 5119-5138 (2020) Article DOI: 10.1021/acs.jmedchem.9b01924 BindingDB Entry DOI: 10.7270/Q2J969PN
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50064888 (3',5-dihydroxy-3,4',7-trimethoxyflavone | 5-hydrox...) Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(O)c1)c(OC)c2=O Show InChI InChI=1S/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-13(23-2)11(19)6-9/h4-8,19-20H,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Center for Cancer Research, NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of ABCG2 expressed in human NCI-H460 cells assessed as inhibition of PhA accumulation after 2 to 20 hrs relative to fumitremorgin C				J Nat Prod 74: 262-6 (2011) Article DOI: 10.1021/np100797y BindingDB Entry DOI: 10.7270/Q2VM4CJT
					More data for this Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2 (Homo sapiens (Human))	BDBM50339155 (6-(3,7-dimethylocta-2,6-dienyl)-3,5,7-trihydroxy-2...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2oc(-c3ccc(-[#8])cc3)c(-[#8])c(=O)c2c1-[#8] Show InChI InChI=1S/C25H26O6/c1-14(2)5-4-6-15(3)7-12-18-19(27)13-20-21(22(18)28)23(29)24(30)25(31-20)16-8-10-17(26)11-9-16/h5,7-11,13,26-28,30H,4,6,12H2,1-3H3/b15-7+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Center for Cancer Research, NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of ABCG2 expressed in human NCI-H460 cells assessed as inhibition of PhA accumulation after 2 to 20 hrs relative to fumitremorgin C				J Nat Prod 74: 262-6 (2011) Article DOI: 10.1021/np100797y BindingDB Entry DOI: 10.7270/Q2VM4CJT
					More data for this Ligand-Target Pair
Neuropeptide S receptor (Homo sapiens (Human))	BDBM50511108 (CHEMBL4558185) Show SMILES [H][C@]12N(CCC[C@@]1(CC)C=C(C(=O)OC)n1c2c(CCNC(=O)c2ccc(Br)cc2)c2ccccc12)C#N |r,t:10| Show InChI InChI=1S/C29H29BrN4O3/c1-3-29-14-6-16-33(18-31)26(29)25-22(13-15-32-27(35)19-9-11-20(30)12-10-19)21-7-4-5-8-23(21)34(25)24(17-29)28(36)37-2/h4-5,7-12,17,26H,3,6,13-16H2,1-2H3,(H,32,35)/t26-,29+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Antagonist activity at human Gq-coupled NPSR1b expressed in human U2OS cells assessed as inhibition in neuropeptide S-induced beta-arrestin 2 recruit...				J Med Chem 63: 5119-5138 (2020) Article DOI: 10.1021/acs.jmedchem.9b01924 BindingDB Entry DOI: 10.7270/Q2J969PN
					More data for this Ligand-Target Pair
Transcription factor Jun (Homo sapiens (Human))	BDBM50352479 (CHEMBL1823867) Show SMILES CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CSC(=N2)[C@@H](C)NC(=O)[C@@H]2CSC(=N2)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)OC(=O)[C@H](C)[C@@H](C)NC1=O |r,c:23,34| Show InChI InChI=1S/C59H77N9O9S2/c1-34(2)48-52(71)60-37(6)36(5)59(76)77-47(31-41-25-18-13-19-26-41)57(74)67(10)49(35(3)4)58(75)68-28-20-27-44(68)56(73)66(9)46(30-40-23-16-12-17-24-40)54-62-42(32-79-54)50(69)61-38(7)53-63-43(33-78-53)55(72)65(8)45(51(70)64-48)29-39-21-14-11-15-22-39/h11-19,21-26,34-38,42-49H,20,27-33H2,1-10H3,(H,60,71)(H,61,69)(H,64,70)/t36-,37-,38-,42+,43+,44+,45-,46-,47+,48-,49+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
NCI-Frederick Curated by ChEMBL					Assay Description Inhibition of AP1 expressed in HEK293T cells coexpressing beta-lactamase pre-incubated 1 hr before TPA addition measured 18 hrs post TPA challenge by...				J Nat Prod 74: 1686-91 (2011) Article DOI: 10.1021/np2005083 BindingDB Entry DOI: 10.7270/Q2GM87P2
					More data for this Ligand-Target Pair

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