Compile Data Set for Download or QSAR

Found 224 hits with Last Name = 'zeng' and Initial = 'g'   

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
Polycomb protein EED (Homo sapiens (Human))	BDBM50235631 (CHEMBL4060827) Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)C1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C27H35FN4O/c1-19(33)30-13-15-31(16-14-30)22-10-7-20(8-11-22)23-17-32(18-26(23)29(2)3)25-12-9-21-5-4-6-24(28)27(21)25/h4-8,10-11,23,25-26H,9,12-18H2,1-3H3/t23-,25?,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to EED (unknown origin) by TR-FRET based binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01344 BindingDB Entry DOI: 10.7270/Q23R0XMC
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50241662 (CHEMBL4104741) Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of OG(488) labeled probe from GST-tagged EED (unknown origin) incubated for 1 hr by lanthaScreen TR-FRET method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01344 BindingDB Entry DOI: 10.7270/Q23R0XMC
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50562606 (CHEMBL4792256) Show SMILES CC(C)n1cc(C)c2c(cc(cc12)-c1ccc(cc1)N1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human FLAG-tagged EZH2 using H3K27me as substrate in presence of [3H]-SAM incubated for 30 mins by Cheng-Prusoff analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01344 BindingDB Entry DOI: 10.7270/Q23R0XMC
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50535399 (CHEMBL4473857) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1C\C=C\C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r,t:28| Show InChI InChI=1S/C48H56N10O10.2C2HF3O2/c49-35(23-31-15-19-33(59)20-16-31)43(63)55-37-13-7-8-14-38(56-44(64)36(50)24-32-17-21-34(60)22-18-32)46(66)52-28-42(62)54-40(26-30-11-5-2-6-12-30)48(68)58-57-47(67)39(25-29-9-3-1-4-10-29)53-41(61)27-51-45(37)65;2*3-2(4,5)1(6)7/h1-12,15-22,35-40,59-60H,13-14,23-28,49-50H2,(H,51,65)(H,52,66)(H,53,61)(H,54,62)(H,55,63)(H,56,64)(H,57,67)(H,58,68);2*(H,6,7)/b8-7+;;/t35-,36-,37+,38+,39-,40-;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by micro beta2 scintillation c...				ACS Med Chem Lett 10: 450-456 (2019) Article DOI: 10.1021/acsmedchemlett.8b00495 BindingDB Entry DOI: 10.7270/Q2N58QWM
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50283992 (CHEMBL4174116) Show SMILES C\C(=N\Nc1nc(cs1)-c1cccc(c1)[N+]([O-])=O)C1CC1 Show InChI InChI=1S/C14H14N4O2S/c1-9(10-5-6-10)16-17-14-15-13(8-21-14)11-3-2-4-12(7-11)18(19)20/h2-4,7-8,10H,5-6H2,1H3,(H,15,17)/b16-9-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"G. D'Annunzio" University of Chieti-Pescara Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human MAO-B using kynuramine as substrate pre-incubated for 15 mins followed by 2 fold compound dilution for 24...				Eur J Med Chem 143: 1543-1552 (2018) Article DOI: 10.1016/j.ejmech.2017.10.050 BindingDB Entry DOI: 10.7270/Q27H1N3J
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50535398 (CHEMBL4434948) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1C\C=C/C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r,c:28| Show InChI InChI=1S/C48H56N10O10.2C2HF3O2/c49-35(23-31-15-19-33(59)20-16-31)43(63)55-37-13-7-8-14-38(56-44(64)36(50)24-32-17-21-34(60)22-18-32)46(66)52-28-42(62)54-40(26-30-11-5-2-6-12-30)48(68)58-57-47(67)39(25-29-9-3-1-4-10-29)53-41(61)27-51-45(37)65;2*3-2(4,5)1(6)7/h1-12,15-22,35-40,59-60H,13-14,23-28,49-50H2,(H,51,65)(H,52,66)(H,53,61)(H,54,62)(H,55,63)(H,56,64)(H,57,67)(H,58,68);2*(H,6,7)/b8-7-;;/t35-,36-,37+,38+,39-,40-;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by micro beta2 scintillation c...				ACS Med Chem Lett 10: 450-456 (2019) Article DOI: 10.1021/acsmedchemlett.8b00495 BindingDB Entry DOI: 10.7270/Q2N58QWM
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50562608 (CHEMBL4795893) Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)C1CCc2cccc(F)c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia 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
TBA					Assay Description Binding affinity to EED (unknown origin) by TR-FRET based binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01344 BindingDB Entry DOI: 10.7270/Q23R0XMC
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM223985 (rac-(3R,4S)-1-(2-fluoro-6-methylbenzyl)-N,N-dimeth...) Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1cn(C)c2ccccc12 |r| Show InChI InChI=1S/C23H28FN3/c1-16-8-7-10-21(24)18(16)13-27-14-20(23(15-27)25(2)3)19-12-26(4)22-11-6-5-9-17(19)22/h5-12,20,23H,13-15H2,1-4H3/t20-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia 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
TBA					Assay Description Binding affinity to EED (unknown origin) by TR-FRET based binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01344 BindingDB Entry DOI: 10.7270/Q23R0XMC
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50540615 (CHEMBL4638703) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCN1C(=O)C2=C(SC[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)NNC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)[C@@H](CS2)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O |r,t:36| Show InChI InChI=1S/C64H71N13O14S3.2C2HF3O2/c1-76(2)51-17-9-16-44-43(51)15-10-18-52(44)94(90,91)69-27-28-77-63(88)55-56(64(77)89)93-36-50(73-58(83)46(66)30-40-21-25-42(79)26-22-40)60(85)68-34-54(81)71-48(32-38-13-7-4-8-14-38)62(87)75-74-61(86)47(31-37-11-5-3-6-12-37)70-53(80)33-67-59(84)49(35-92-55)72-57(82)45(65)29-39-19-23-41(78)24-20-39;2*3-2(4,5)1(6)7/h3-26,45-50,69,78-79H,27-36,65-66H2,1-2H3,(H,67,84)(H,68,85)(H,70,80)(H,71,81)(H,72,82)(H,73,83)(H,74,86)(H,75,87);2*(H,6,7)/t45-,46-,47-,48-,49+,50+;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine human delta opioid receptor expressed in CHO cell membranes after 1 hr by micro beta2 scintillation counting method				ACS Med Chem Lett 11: 720-726 (2020) Article DOI: 10.1021/acsmedchemlett.9b00569 BindingDB Entry DOI: 10.7270/Q2FR015W
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by micro beta2 scintillation c...				ACS Med Chem Lett 10: 450-456 (2019) Article DOI: 10.1021/acsmedchemlett.8b00495 BindingDB Entry DOI: 10.7270/Q2N58QWM
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50075051 (CHEMBL3360855 | EPZ005687 | US10273223, Compound C...) Show SMILES Cc1cc(C)c(CNC(=O)c2cc(cc3n(ncc23)C2CCCC2)-c2ccc(CN3CCOCC3)cc2)c(=O)[nH]1 Show InChI InChI=1S/C32H37N5O3/c1-21-15-22(2)35-32(39)28(21)18-33-31(38)27-16-25(17-30-29(27)19-34-37(30)26-5-3-4-6-26)24-9-7-23(8-10-24)20-36-11-13-40-14-12-36/h7-10,15-17,19,26H,3-6,11-14,18,20H2,1-2H3,(H,33,38)(H,35,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of wild type EZH2 in human PRC2 complex using S-adenosylmethionine as substrate by Michaelis-Menten plot analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01344 BindingDB Entry DOI: 10.7270/Q23R0XMC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50000788 ((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine human MOR expressed in CHO cell membranes after 1 hr by micro beta2 scintillation counting method				ACS Med Chem Lett 11: 720-726 (2020) Article DOI: 10.1021/acsmedchemlett.9b00569 BindingDB Entry DOI: 10.7270/Q2FR015W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50000788 ((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from human mu opioid receptor expressed in CHO cell membranes incubated for 1 hr by micro beta2 scintillation coun...				ACS Med Chem Lett 10: 450-456 (2019) Article DOI: 10.1021/acsmedchemlett.8b00495 BindingDB Entry DOI: 10.7270/Q2N58QWM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50535399 (CHEMBL4473857) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1C\C=C\C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r,t:28| Show InChI InChI=1S/C48H56N10O10.2C2HF3O2/c49-35(23-31-15-19-33(59)20-16-31)43(63)55-37-13-7-8-14-38(56-44(64)36(50)24-32-17-21-34(60)22-18-32)46(66)52-28-42(62)54-40(26-30-11-5-2-6-12-30)48(68)58-57-47(67)39(25-29-9-3-1-4-10-29)53-41(61)27-51-45(37)65;2*3-2(4,5)1(6)7/h1-12,15-22,35-40,59-60H,13-14,23-28,49-50H2,(H,51,65)(H,52,66)(H,53,61)(H,54,62)(H,55,63)(H,56,64)(H,57,67)(H,58,68);2*(H,6,7)/b8-7+;;/t35-,36-,37+,38+,39-,40-;;/m0../s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from human mu opioid receptor expressed in CHO cell membranes incubated for 1 hr by micro beta2 scintillation coun...				ACS Med Chem Lett 10: 450-456 (2019) Article DOI: 10.1021/acsmedchemlett.8b00495 BindingDB Entry DOI: 10.7270/Q2N58QWM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50000788 ((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from human delta opioid receptor expressed in CHO cell membranes incubated for 1 hr by micro beta2 scintillation c...				ACS Med Chem Lett 10: 450-456 (2019) Article DOI: 10.1021/acsmedchemlett.8b00495 BindingDB Entry DOI: 10.7270/Q2N58QWM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50535398 (CHEMBL4434948) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1C\C=C/C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r,c:28| Show InChI InChI=1S/C48H56N10O10.2C2HF3O2/c49-35(23-31-15-19-33(59)20-16-31)43(63)55-37-13-7-8-14-38(56-44(64)36(50)24-32-17-21-34(60)22-18-32)46(66)52-28-42(62)54-40(26-30-11-5-2-6-12-30)48(68)58-57-47(67)39(25-29-9-3-1-4-10-29)53-41(61)27-51-45(37)65;2*3-2(4,5)1(6)7/h1-12,15-22,35-40,59-60H,13-14,23-28,49-50H2,(H,51,65)(H,52,66)(H,53,61)(H,54,62)(H,55,63)(H,56,64)(H,57,67)(H,58,68);2*(H,6,7)/b8-7-;;/t35-,36-,37+,38+,39-,40-;;/m0../s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from human mu opioid receptor expressed in CHO cell membranes incubated for 1 hr by micro beta2 scintillation coun...				ACS Med Chem Lett 10: 450-456 (2019) Article DOI: 10.1021/acsmedchemlett.8b00495 BindingDB Entry DOI: 10.7270/Q2N58QWM
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM326072 (US10273223, Compound C-5 | US9637472, Compound C-5) Show SMILES CC(C)n1ncc2c(cc(cc12)-c1ccc(CN2CCOCC2)cc1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C30H35N5O3/c1-19(2)35-28-15-24(23-7-5-22(6-8-23)18-34-9-11-38-12-10-34)14-25(27(28)17-32-35)29(36)31-16-26-20(3)13-21(4)33-30(26)37/h5-8,13-15,17,19H,9-12,16,18H2,1-4H3,(H,31,36)(H,33,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type EZH2 in human PRC2 complex using S-adenosylmethionine and biotinylated histone peptides as substrate				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01344 BindingDB Entry DOI: 10.7270/Q23R0XMC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50540615 (CHEMBL4638703) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCN1C(=O)C2=C(SC[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)NNC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)[C@@H](CS2)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O |r,t:36| Show InChI InChI=1S/C64H71N13O14S3.2C2HF3O2/c1-76(2)51-17-9-16-44-43(51)15-10-18-52(44)94(90,91)69-27-28-77-63(88)55-56(64(77)89)93-36-50(73-58(83)46(66)30-40-21-25-42(79)26-22-40)60(85)68-34-54(81)71-48(32-38-13-7-4-8-14-38)62(87)75-74-61(86)47(31-37-11-5-3-6-12-37)70-53(80)33-67-59(84)49(35-92-55)72-57(82)45(65)29-39-19-23-41(78)24-20-39;2*3-2(4,5)1(6)7/h3-26,45-50,69,78-79H,27-36,65-66H2,1-2H3,(H,67,84)(H,68,85)(H,70,80)(H,71,81)(H,72,82)(H,73,83)(H,74,86)(H,75,87);2*(H,6,7)/t45-,46-,47-,48-,49+,50+;;/m0../s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine human MOR expressed in CHO cell membranes after 1 hr by micro beta2 scintillation counting method				ACS Med Chem Lett 11: 720-726 (2020) Article DOI: 10.1021/acsmedchemlett.9b00569 BindingDB Entry DOI: 10.7270/Q2FR015W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50540613 (CHEMBL4641588) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1cc(=O)oc2cc(NC(=O)CCN3C(=O)C4=C(SC[C@@H](NC(=O)[C@@H](N)Cc5ccc(O)cc5)C(=O)NCC(=O)N[C@@H](Cc5ccccc5)C(=O)NNC(=O)[C@H](Cc5ccccc5)NC(=O)CNC(=O)[C@@H](CS4)NC(=O)[C@@H](N)Cc4ccc(O)cc4)C3=O)ccc12 |r,t:29| Show InChI InChI=1S/C63H66N12O15S2.2C2HF3O2/c1-34-24-53(81)90-49-29-39(16-21-42(34)49)68-50(78)22-23-75-62(88)54-55(63(75)89)92-33-48(72-57(83)44(65)26-38-14-19-41(77)20-15-38)59(85)67-31-52(80)70-46(28-36-10-6-3-7-11-36)61(87)74-73-60(86)45(27-35-8-4-2-5-9-35)69-51(79)30-66-58(84)47(32-91-54)71-56(82)43(64)25-37-12-17-40(76)18-13-37;2*3-2(4,5)1(6)7/h2-21,24,29,43-48,76-77H,22-23,25-28,30-33,64-65H2,1H3,(H,66,84)(H,67,85)(H,68,78)(H,69,79)(H,70,80)(H,71,82)(H,72,83)(H,73,86)(H,74,87);2*(H,6,7)/t43-,44-,45-,46-,47+,48+;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine human delta opioid receptor expressed in CHO cell membranes after 1 hr by micro beta2 scintillation counting method				ACS Med Chem Lett 11: 720-726 (2020) Article DOI: 10.1021/acsmedchemlett.9b00569 BindingDB Entry DOI: 10.7270/Q2FR015W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50540614 (CHEMBL4636807) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1cc(=O)oc2ccc(cc12)N1C(=O)C2=C(SC[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)NNC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)[C@@H](CS2)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O |r,t:29| Show InChI InChI=1S/C60H61N11O14S2.2C2HF3O2/c1-32-22-50(76)85-47-21-16-37(27-40(32)47)71-59(83)51-52(60(71)84)87-31-46(68-54(78)42(62)24-36-14-19-39(73)20-15-36)56(80)64-29-49(75)66-44(26-34-10-6-3-7-11-34)58(82)70-69-57(81)43(25-33-8-4-2-5-9-33)65-48(74)28-63-55(79)45(30-86-51)67-53(77)41(61)23-35-12-17-38(72)18-13-35;2*3-2(4,5)1(6)7/h2-22,27,41-46,72-73H,23-26,28-31,61-62H2,1H3,(H,63,79)(H,64,80)(H,65,74)(H,66,75)(H,67,77)(H,68,78)(H,69,81)(H,70,82);2*(H,6,7)/t41-,42-,43-,44-,45+,46+;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine human delta opioid receptor expressed in CHO cell membranes after 1 hr by micro beta2 scintillation counting method				ACS Med Chem Lett 11: 720-726 (2020) Article DOI: 10.1021/acsmedchemlett.9b00569 BindingDB Entry DOI: 10.7270/Q2FR015W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50000788 ((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine human delta opioid receptor expressed in CHO cell membranes after 1 hr by micro beta2 scintillation counting method				ACS Med Chem Lett 11: 720-726 (2020) Article DOI: 10.1021/acsmedchemlett.9b00569 BindingDB Entry DOI: 10.7270/Q2FR015W
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50000296 (CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...) Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine human kappa opioid receptor expressed in CHO cell membranes after 1 hr by micro beta2 scintillation counting method				ACS Med Chem Lett 11: 720-726 (2020) Article DOI: 10.1021/acsmedchemlett.9b00569 BindingDB Entry DOI: 10.7270/Q2FR015W
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM190179 (EPZ005030 | US10273223, Compound A-2 | US9175331, ...) Show SMILES CC(C)n1ncc2c(cc(nc12)-c1ccc(CN2CCOCC2)cc1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C29H34N6O3/c1-18(2)35-27-25(16-31-35)23(28(36)30-15-24-19(3)13-20(4)32-29(24)37)14-26(33-27)22-7-5-21(6-8-22)17-34-9-11-38-12-10-34/h5-8,13-14,16,18H,9-12,15,17H2,1-4H3,(H,30,36)(H,32,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type EZH2 in human PRC2 complex using S-adenosylmethionine and biotinylated histone peptides as substrate				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01344 BindingDB Entry DOI: 10.7270/Q23R0XMC
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50075053 (CHEMBL3414618) Show SMILES CC(C)n1ncc2c(cc(nc12)-c1ccc2OCCOc2c1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C26H27N5O4/c1-14(2)31-24-20(13-28-31)18(25(32)27-12-19-15(3)9-16(4)29-26(19)33)11-21(30-24)17-5-6-22-23(10-17)35-8-7-34-22/h5-6,9-11,13-14H,7-8,12H2,1-4H3,(H,27,32)(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type EZH2 in human PRC2 complex using S-adenosylmethionine and biotinylated histone peptides as substrate				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01344 BindingDB Entry DOI: 10.7270/Q23R0XMC
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50235637 (CHEMBL4103354) Show SMILES CN(C)[C@H]1CN(Cc2ccccc2F)C[C@@H]1c1cn(C)c2ccccc12 |r| Show InChI InChI=1S/C22H26FN3/c1-24(2)22-15-26(12-16-8-4-6-10-20(16)23)14-19(22)18-13-25(3)21-11-7-5-9-17(18)21/h4-11,13,19,22H,12,14-15H2,1-3H3/t19-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to EED (unknown origin) by TR-FRET based binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01344 BindingDB Entry DOI: 10.7270/Q23R0XMC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50535398 (CHEMBL4434948) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1C\C=C/C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r,c:28| Show InChI InChI=1S/C48H56N10O10.2C2HF3O2/c49-35(23-31-15-19-33(59)20-16-31)43(63)55-37-13-7-8-14-38(56-44(64)36(50)24-32-17-21-34(60)22-18-32)46(66)52-28-42(62)54-40(26-30-11-5-2-6-12-30)48(68)58-57-47(67)39(25-29-9-3-1-4-10-29)53-41(61)27-51-45(37)65;2*3-2(4,5)1(6)7/h1-12,15-22,35-40,59-60H,13-14,23-28,49-50H2,(H,51,65)(H,52,66)(H,53,61)(H,54,62)(H,55,63)(H,56,64)(H,57,67)(H,58,68);2*(H,6,7)/b8-7-;;/t35-,36-,37+,38+,39-,40-;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	495	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by micro beta2 scintillation c...				ACS Med Chem Lett 10: 450-456 (2019) Article DOI: 10.1021/acsmedchemlett.8b00495 BindingDB Entry DOI: 10.7270/Q2N58QWM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50540613 (CHEMBL4641588) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1cc(=O)oc2cc(NC(=O)CCN3C(=O)C4=C(SC[C@@H](NC(=O)[C@@H](N)Cc5ccc(O)cc5)C(=O)NCC(=O)N[C@@H](Cc5ccccc5)C(=O)NNC(=O)[C@H](Cc5ccccc5)NC(=O)CNC(=O)[C@@H](CS4)NC(=O)[C@@H](N)Cc4ccc(O)cc4)C3=O)ccc12 |r,t:29| Show InChI InChI=1S/C63H66N12O15S2.2C2HF3O2/c1-34-24-53(81)90-49-29-39(16-21-42(34)49)68-50(78)22-23-75-62(88)54-55(63(75)89)92-33-48(72-57(83)44(65)26-38-14-19-41(77)20-15-38)59(85)67-31-52(80)70-46(28-36-10-6-3-7-11-36)61(87)74-73-60(86)45(27-35-8-4-2-5-9-35)69-51(79)30-66-58(84)47(32-91-54)71-56(82)43(64)25-37-12-17-40(76)18-13-37;2*3-2(4,5)1(6)7/h2-21,24,29,43-48,76-77H,22-23,25-28,30-33,64-65H2,1H3,(H,66,84)(H,67,85)(H,68,78)(H,69,79)(H,70,80)(H,71,82)(H,72,83)(H,73,86)(H,74,87);2*(H,6,7)/t43-,44-,45-,46-,47+,48+;;/m0../s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine human MOR expressed in CHO cell membranes after 1 hr by micro beta2 scintillation counting method				ACS Med Chem Lett 11: 720-726 (2020) Article DOI: 10.1021/acsmedchemlett.9b00569 BindingDB Entry DOI: 10.7270/Q2FR015W
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM223984 (rac-(3R,4S)-1-(2-methoxybenzyl)-N,N-dimethyl-4-(1-...) Show SMILES COc1ccccc1CN1C[C@@H]([C@H](C1)c1cn(C)c2ccccc12)N(C)C |r| Show InChI InChI=1S/C23H29N3O/c1-24(2)22-16-26(13-17-9-5-8-12-23(17)27-4)15-20(22)19-14-25(3)21-11-7-6-10-18(19)21/h5-12,14,20,22H,13,15-16H2,1-4H3/t20-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to EED (unknown origin) by TR-FRET based binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01344 BindingDB Entry DOI: 10.7270/Q23R0XMC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50535399 (CHEMBL4473857) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1C\C=C\C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r,t:28| Show InChI InChI=1S/C48H56N10O10.2C2HF3O2/c49-35(23-31-15-19-33(59)20-16-31)43(63)55-37-13-7-8-14-38(56-44(64)36(50)24-32-17-21-34(60)22-18-32)46(66)52-28-42(62)54-40(26-30-11-5-2-6-12-30)48(68)58-57-47(67)39(25-29-9-3-1-4-10-29)53-41(61)27-51-45(37)65;2*3-2(4,5)1(6)7/h1-12,15-22,35-40,59-60H,13-14,23-28,49-50H2,(H,51,65)(H,52,66)(H,53,61)(H,54,62)(H,55,63)(H,56,64)(H,57,67)(H,58,68);2*(H,6,7)/b8-7+;;/t35-,36-,37+,38+,39-,40-;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	686	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]-diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by micro beta2 scintillation c...				ACS Med Chem Lett 10: 450-456 (2019) Article DOI: 10.1021/acsmedchemlett.8b00495 BindingDB Entry DOI: 10.7270/Q2N58QWM
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50400783 (CHEMBL1608462) Show SMILES CC(C)n1ncc2c(cc(nc12)C1CC1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C21H25N5O2/c1-11(2)26-19-17(10-23-26)15(8-18(25-19)14-5-6-14)20(27)22-9-16-12(3)7-13(4)24-21(16)28/h7-8,10-11,14H,5-6,9H2,1-4H3,(H,22,27)(H,24,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human FLAG-tev-fused EZH2 expressed in baculovirus infected Sf9 insect cells using H3K27 peptide as substrate in presence of [3H]-SAM b...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01344 BindingDB Entry DOI: 10.7270/Q23R0XMC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50540614 (CHEMBL4636807) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1cc(=O)oc2ccc(cc12)N1C(=O)C2=C(SC[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)NNC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)[C@@H](CS2)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O |r,t:29| Show InChI InChI=1S/C60H61N11O14S2.2C2HF3O2/c1-32-22-50(76)85-47-21-16-37(27-40(32)47)71-59(83)51-52(60(71)84)87-31-46(68-54(78)42(62)24-36-14-19-39(73)20-15-36)56(80)64-29-49(75)66-44(26-34-10-6-3-7-11-34)58(82)70-69-57(81)43(25-33-8-4-2-5-9-33)65-48(74)28-63-55(79)45(30-86-51)67-53(77)41(61)23-35-12-17-38(72)18-13-35;2*3-2(4,5)1(6)7/h2-22,27,41-46,72-73H,23-26,28-31,61-62H2,1H3,(H,63,79)(H,64,80)(H,65,74)(H,66,75)(H,67,77)(H,68,78)(H,69,81)(H,70,82);2*(H,6,7)/t41-,42-,43-,44-,45+,46+;;/m0../s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine human MOR expressed in CHO cell membranes after 1 hr by micro beta2 scintillation counting method				ACS Med Chem Lett 11: 720-726 (2020) Article DOI: 10.1021/acsmedchemlett.9b00569 BindingDB Entry DOI: 10.7270/Q2FR015W
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50562607 (CHEMBL4748918) Show SMILES CN(C)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of OG(488) labeled probe from GST-tagged EED (unknown origin) incubated for 1 hr by lanthaScreen TR-FRET method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01344 BindingDB Entry DOI: 10.7270/Q23R0XMC
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50540614 (CHEMBL4636807) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1cc(=O)oc2ccc(cc12)N1C(=O)C2=C(SC[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)NNC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)[C@@H](CS2)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O |r,t:29| Show InChI InChI=1S/C60H61N11O14S2.2C2HF3O2/c1-32-22-50(76)85-47-21-16-37(27-40(32)47)71-59(83)51-52(60(71)84)87-31-46(68-54(78)42(62)24-36-14-19-39(73)20-15-36)56(80)64-29-49(75)66-44(26-34-10-6-3-7-11-34)58(82)70-69-57(81)43(25-33-8-4-2-5-9-33)65-48(74)28-63-55(79)45(30-86-51)67-53(77)41(61)23-35-12-17-38(72)18-13-35;2*3-2(4,5)1(6)7/h2-22,27,41-46,72-73H,23-26,28-31,61-62H2,1H3,(H,63,79)(H,64,80)(H,65,74)(H,66,75)(H,67,77)(H,68,78)(H,69,81)(H,70,82);2*(H,6,7)/t41-,42-,43-,44-,45+,46+;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine human kappa opioid receptor expressed in CHO cell membranes after 1 hr by micro beta2 scintillation counting method				ACS Med Chem Lett 11: 720-726 (2020) Article DOI: 10.1021/acsmedchemlett.9b00569 BindingDB Entry DOI: 10.7270/Q2FR015W
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50540613 (CHEMBL4641588) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1cc(=O)oc2cc(NC(=O)CCN3C(=O)C4=C(SC[C@@H](NC(=O)[C@@H](N)Cc5ccc(O)cc5)C(=O)NCC(=O)N[C@@H](Cc5ccccc5)C(=O)NNC(=O)[C@H](Cc5ccccc5)NC(=O)CNC(=O)[C@@H](CS4)NC(=O)[C@@H](N)Cc4ccc(O)cc4)C3=O)ccc12 |r,t:29| Show InChI InChI=1S/C63H66N12O15S2.2C2HF3O2/c1-34-24-53(81)90-49-29-39(16-21-42(34)49)68-50(78)22-23-75-62(88)54-55(63(75)89)92-33-48(72-57(83)44(65)26-38-14-19-41(77)20-15-38)59(85)67-31-52(80)70-46(28-36-10-6-3-7-11-36)61(87)74-73-60(86)45(27-35-8-4-2-5-9-35)69-51(79)30-66-58(84)47(32-91-54)71-56(82)43(64)25-37-12-17-40(76)18-13-37;2*3-2(4,5)1(6)7/h2-21,24,29,43-48,76-77H,22-23,25-28,30-33,64-65H2,1H3,(H,66,84)(H,67,85)(H,68,78)(H,69,79)(H,70,80)(H,71,82)(H,72,83)(H,73,86)(H,74,87);2*(H,6,7)/t43-,44-,45-,46-,47+,48+;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine human kappa opioid receptor expressed in CHO cell membranes after 1 hr by micro beta2 scintillation counting method				ACS Med Chem Lett 11: 720-726 (2020) Article DOI: 10.1021/acsmedchemlett.9b00569 BindingDB Entry DOI: 10.7270/Q2FR015W
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50540615 (CHEMBL4638703) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCN1C(=O)C2=C(SC[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)NNC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)[C@@H](CS2)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C1=O |r,t:36| Show InChI InChI=1S/C64H71N13O14S3.2C2HF3O2/c1-76(2)51-17-9-16-44-43(51)15-10-18-52(44)94(90,91)69-27-28-77-63(88)55-56(64(77)89)93-36-50(73-58(83)46(66)30-40-21-25-42(79)26-22-40)60(85)68-34-54(81)71-48(32-38-13-7-4-8-14-38)62(87)75-74-61(86)47(31-37-11-5-3-6-12-37)70-53(80)33-67-59(84)49(35-92-55)72-57(82)45(65)29-39-19-23-41(78)24-20-39;2*3-2(4,5)1(6)7/h3-26,45-50,69,78-79H,27-36,65-66H2,1-2H3,(H,67,84)(H,68,85)(H,70,80)(H,71,81)(H,72,82)(H,73,83)(H,74,86)(H,75,87);2*(H,6,7)/t45-,46-,47-,48-,49+,50+;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine human kappa opioid receptor expressed in CHO cell membranes after 1 hr by micro beta2 scintillation counting method				ACS Med Chem Lett 11: 720-726 (2020) Article DOI: 10.1021/acsmedchemlett.9b00569 BindingDB Entry DOI: 10.7270/Q2FR015W
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50169493 ((S)-3,3-dimethyl-1-(4-(4-(trifluoromethyl)phenyl)-...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1cnc(c1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1 Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-19(23(37)24(38)34-22-12-13-32-35-22)33-25(39)40-21(26(2,3)4)15-36-14-20(31-16-36)17-8-10-18(11-9-17)27(28,29)30/h8-14,16,19,21H,5-7,15H2,1-4H3,(H,33,39)(H2,32,34,35,38)/t19-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0251	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Eur J Med Chem 45: 667-81 (2010) Article DOI: 10.1016/j.ejmech.2009.11.010 BindingDB Entry DOI: 10.7270/Q29C6ZP1
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50169495 ((S)-3,3-dimethyl-1-(4-(4-(trifluoromethyl)phenyl)-...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1cc(cn1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1 Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-20(23(37)24(38)34-22-12-13-31-35-22)33-25(39)40-21(26(2,3)4)16-36-15-18(14-32-36)17-8-10-19(11-9-17)27(28,29)30/h8-15,20-21H,5-7,16H2,1-4H3,(H,33,39)(H2,31,34,35,38)/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0257	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Eur J Med Chem 45: 667-81 (2010) Article DOI: 10.1016/j.ejmech.2009.11.010 BindingDB Entry DOI: 10.7270/Q29C6ZP1
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50169482 ((R)-3,3-dimethyl-1-(5-(4-(trifluoromethyl)phenyl)-...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1 Show InChI InChI=1S/C26H31F3N6O5/c1-5-6-7-17(21(36)22(37)32-19-12-13-30-33-19)31-24(38)39-18(25(2,3)4)14-20-34-35-23(40-20)15-8-10-16(11-9-15)26(27,28)29/h8-13,17-18H,5-7,14H2,1-4H3,(H,31,38)(H2,30,32,33,37)/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0288	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Eur J Med Chem 45: 667-81 (2010) Article DOI: 10.1016/j.ejmech.2009.11.010 BindingDB Entry DOI: 10.7270/Q29C6ZP1
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19783 ((2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1 |r| Show InChI InChI=1S/C27H33F3N6O4/c1-5-6-7-20(23(37)24(38)33-22-12-14-31-34-22)32-25(39)40-21(26(2,3)4)16-36-15-13-19(35-36)17-8-10-18(11-9-17)27(28,29)30/h8-15,20-21H,5-7,16H2,1-4H3,(H,32,39)(H2,31,33,34,38)/t20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0724	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Eur J Med Chem 45: 667-81 (2010) Article DOI: 10.1016/j.ejmech.2009.11.010 BindingDB Entry DOI: 10.7270/Q29C6ZP1
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50169488 ((1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)NN1CCOC1=O Show InChI InChI=1S/C26H32F3N5O7/c1-5-6-7-17(20(35)21(36)33-34-12-13-39-24(34)38)30-23(37)40-18(25(2,3)4)14-19-31-32-22(41-19)15-8-10-16(11-9-15)26(27,28)29/h8-11,17-18H,5-7,12-14H2,1-4H3,(H,30,37)(H,33,36)/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.129	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Eur J Med Chem 45: 667-81 (2010) Article DOI: 10.1016/j.ejmech.2009.11.010 BindingDB Entry DOI: 10.7270/Q29C6ZP1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin K (Homo sapiens (Human))	BDBM50169496 ((R)-3,3-dimethyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C30H38N4O5/c1-6-7-18-23(26(35)27(36)31-20(2)21-14-10-8-11-15-21)32-29(37)38-24(30(3,4)5)19-25-33-34-28(39-25)22-16-12-9-13-17-22/h8-17,20,23-24H,6-7,18-19H2,1-5H3,(H,31,36)(H,32,37)/t20-,23+,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Eur J Med Chem 45: 667-81 (2010) Article DOI: 10.1016/j.ejmech.2009.11.010 BindingDB Entry DOI: 10.7270/Q29C6ZP1
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50169490 ((S)-3,3-dimethyl-1-(2-oxo-3-(4-(trifluoromethyl)ph...) Show SMILES CCCC[C@H](NC(=O)O[C@H](CN1CCN(C1=O)c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1 Show InChI InChI=1S/C27H35F3N6O5/c1-5-6-7-19(22(37)23(38)33-21-12-13-31-34-21)32-24(39)41-20(26(2,3)4)16-35-14-15-36(25(35)40)18-10-8-17(9-11-18)27(28,29)30/h8-13,19-20H,5-7,14-16H2,1-4H3,(H,32,39)(H2,31,33,34,38)/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.339	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Eur J Med Chem 45: 667-81 (2010) Article DOI: 10.1016/j.ejmech.2009.11.010 BindingDB Entry DOI: 10.7270/Q29C6ZP1
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50535399 (CHEMBL4473857) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1C\C=C\C[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r,t:28| Show InChI InChI=1S/C48H56N10O10.2C2HF3O2/c49-35(23-31-15-19-33(59)20-16-31)43(63)55-37-13-7-8-14-38(56-44(64)36(50)24-32-17-21-34(60)22-18-32)46(66)52-28-42(62)54-40(26-30-11-5-2-6-12-30)48(68)58-57-47(67)39(25-29-9-3-1-4-10-29)53-41(61)27-51-45(37)65;2*3-2(4,5)1(6)7/h1-12,15-22,35-40,59-60H,13-14,23-28,49-50H2,(H,51,65)(H,52,66)(H,53,61)(H,54,62)(H,55,63)(H,56,64)(H,57,67)(H,58,68);2*(H,6,7)/b8-7+;;/t35-,36-,37+,38+,39-,40-;;/m0../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL					Assay Description Antagonist activity at human delta opioid receptor expressed in CHO cell membranes assessed as reduction in SNC80-induced [35S]GTPgammaS binding incu...				ACS Med Chem Lett 10: 450-456 (2019) Article DOI: 10.1021/acsmedchemlett.8b00495 BindingDB Entry DOI: 10.7270/Q2N58QWM
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50169483 ((R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C30H37FN4O5/c1-6-7-13-23(26(36)27(37)32-19(2)20-11-9-8-10-12-20)33-29(38)39-24(30(3,4)5)18-25-34-35-28(40-25)21-14-16-22(31)17-15-21/h8-12,14-17,19,23-24H,6-7,13,18H2,1-5H3,(H,32,37)(H,33,38)/t19-,23+,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.372	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Eur J Med Chem 45: 667-81 (2010) Article DOI: 10.1016/j.ejmech.2009.11.010 BindingDB Entry DOI: 10.7270/Q29C6ZP1
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50169492 ((R)-3,3-dimethyl-1-(5-(4-(trifluoromethyl)phenyl)-...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C31H37F3N4O5/c1-6-7-13-23(26(39)27(40)35-19(2)20-11-9-8-10-12-20)36-29(41)42-24(30(3,4)5)18-25-37-38-28(43-25)21-14-16-22(17-15-21)31(32,33)34/h8-12,14-17,19,23-24H,6-7,13,18H2,1-5H3,(H,35,40)(H,36,41)/t19-,23+,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.407	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Eur J Med Chem 45: 667-81 (2010) Article DOI: 10.1016/j.ejmech.2009.11.010 BindingDB Entry DOI: 10.7270/Q29C6ZP1
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50415754 (CHEMBL1092804) Show SMILES CCCC[C@H](NC(=O)O[C@@H]1CN(CC1(C)C)C(=O)c1ccc(cc1)C(F)(F)F)C(=O)C(=O)Nc1ccn[nH]1 |r| Show InChI InChI=1S/C25H30F3N5O5/c1-4-5-6-17(20(34)21(35)31-19-11-12-29-32-19)30-23(37)38-18-13-33(14-24(18,2)3)22(36)15-7-9-16(10-8-15)25(26,27)28/h7-12,17-18H,4-6,13-14H2,1-3H3,(H,30,37)(H2,29,31,32,35)/t17-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.417	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Eur J Med Chem 45: 667-81 (2010) Article DOI: 10.1016/j.ejmech.2009.11.010 BindingDB Entry DOI: 10.7270/Q29C6ZP1
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 | CycloRGDfV | [(2S,5R,8S,11S)-5-Benz...) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C26H38N8O7/c1-14(2)21-25(41)32-16(9-6-10-29-26(27)28)22(38)30-13-19(35)31-18(12-20(36)37)23(39)33-17(24(40)34-21)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,21H,6,9-13H2,1-2H3,(H,30,38)(H,31,35)(H,32,41)(H,33,39)(H,34,40)(H,36,37)(H4,27,28,29)/t16-,17+,18-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.487	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human alpha-v-beta-3 integrin receptor by ELISA				Bioorg Med Chem Lett 16: 6178-80 (2006) Article DOI: 10.1016/j.bmcl.2006.09.042 BindingDB Entry DOI: 10.7270/Q2C25069
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50110356 (CHEMBL3605456) Show SMILES COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCOCC2)c2ccccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type EZH2 (unknown origin) using histone H3 peptide (17 to 38 residues) by radiometric method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01344 BindingDB Entry DOI: 10.7270/Q23R0XMC
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50370067 (CHEMBL1237164) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<0.510	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara "G. d'Annunzio" Curated by ChEMBL					Assay Description Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as reduction in SNC80-induced inhibition of forskolin stimulated c...				ACS Med Chem Lett 10: 450-456 (2019) Article DOI: 10.1021/acsmedchemlett.8b00495 BindingDB Entry DOI: 10.7270/Q2N58QWM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin K (Homo sapiens (Human))	BDBM50415755 (CHEMBL1087934) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)N[C@H]1CCCNC1=O |r| Show InChI InChI=1S/C27H36FN5O6/c1-5-6-8-18(22(34)24(36)30-19-9-7-14-29-23(19)35)31-26(37)38-20(27(2,3)4)15-21-32-33-25(39-21)16-10-12-17(28)13-11-16/h10-13,18-20H,5-9,14-15H2,1-4H3,(H,29,35)(H,30,36)(H,31,37)/t18-,19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.646	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Eur J Med Chem 45: 667-81 (2010) Article DOI: 10.1016/j.ejmech.2009.11.010 BindingDB Entry DOI: 10.7270/Q29C6ZP1
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 224 total )  |  Next  |  Last  >>

Jump to: