Compile Data Set for Download or QSAR

Found 1091 hits with Last Name = 'cox' and Initial = 'b'   

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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50162774 (ABT-199 | US11420968, Example ABT-199 | Venetoclax) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)N(=O)=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57| Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl2 (unknown origin)				J Med Chem 61: 2636-2651 (2018) Article DOI: 10.1021/acs.jmedchem.7b00717 BindingDB Entry DOI: 10.7270/Q2ZK5K94
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM356652 (US10213433, Compound 34 | US11369599, Compound 34 ...) Show SMILES CO[C@H]1CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |wU:5.5,wD:2.1,t:48,(-3.85,-16.17,;-2.52,-15.4,;-2.52,-13.86,;-1.18,-13.09,;-1.18,-11.55,;-2.52,-10.78,;-2.52,-9.24,;-1.18,-8.47,;-1.18,-6.93,;-2.52,-6.16,;-2.52,-4.62,;-1.18,-3.85,;.15,-4.62,;.15,-6.16,;1.48,-6.93,;2.82,-6.16,;1.48,-8.47,;-1.18,-2.31,;-2.72,-2.31,;.36,-2.31,;-1.18,-.77,;-2.52,,;-3.85,-.77,;-2.52,1.54,;-3.85,2.31,;-3.85,3.85,;-2.52,4.62,;-1.18,3.85,;-1.18,2.31,;.15,1.54,;1.48,2.31,;1.48,3.85,;2.82,4.62,;4.15,3.85,;5.61,4.33,;6.52,3.08,;5.61,1.83,;4.15,2.31,;2.82,1.54,;-2.52,6.16,;-3.85,6.93,;-3.85,8.47,;-2.52,9.24,;-2.52,10.78,;-1.18,11.55,;-1.18,13.09,;.15,13.86,;1.48,13.09,;2.25,14.42,;3.02,13.09,;1.48,11.55,;.15,10.78,;-2.52,13.86,;-3.85,13.09,;-5.19,13.86,;-5.19,15.4,;-6.52,16.17,;-3.85,16.17,;-2.52,15.4,;-1.18,8.47,;-1.18,6.93,;-3.85,-11.55,;-3.85,-13.09,)| Show InChI InChI=1S/C47H54ClN7O7S/c1-47(2)18-16-34(41(27-47)32-6-8-35(48)9-7-32)30-53-20-22-54(23-21-53)36-10-14-40(44(25-36)62-38-24-33-17-19-49-45(33)51-29-38)46(56)52-63(59,60)39-13-15-42(43(26-39)55(57)58)50-28-31-4-11-37(61-3)12-5-31/h6-10,13-15,17,19,24-26,29,31,37,50H,4-5,11-12,16,18,20-23,27-28,30H2,1-3H3,(H,49,51)(H,52,56)/t31-,37-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl2 (unknown origin)				J Med Chem 61: 2636-2651 (2018) Article DOI: 10.1021/acs.jmedchem.7b00717 BindingDB Entry DOI: 10.7270/Q2ZK5K94
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50270877 ((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...) Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5| Show InChI InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl2 (unknown origin)				J Med Chem 61: 2636-2651 (2018) Article DOI: 10.1021/acs.jmedchem.7b00717 BindingDB Entry DOI: 10.7270/Q2ZK5K94
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50270877 ((R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex...) Show SMILES CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 |r,t:5| Show InChI InChI=1S/C47H55ClF3N5O6S3/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57)/t38-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-xL (unknown origin)				J Med Chem 61: 2636-2651 (2018) Article DOI: 10.1021/acs.jmedchem.7b00717 BindingDB Entry DOI: 10.7270/Q2ZK5K94
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21447 (4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-xL (unknown origin)				J Med Chem 61: 2636-2651 (2018) Article DOI: 10.1021/acs.jmedchem.7b00717 BindingDB Entry DOI: 10.7270/Q2ZK5K94
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM21447 (4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl2 (unknown origin)				J Med Chem 61: 2636-2651 (2018) Article DOI: 10.1021/acs.jmedchem.7b00717 BindingDB Entry DOI: 10.7270/Q2ZK5K94
					More data for this Ligand-Target Pair
Mu-type opioid receptor (CALF)	BDBM50021325 (4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Opioid receptor delta 1 (Bos taurus)	BDBM21025 ((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1	PDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Opioid receptor delta 1 (Bos taurus)	BDBM82090 (DALLE) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24+/m1/s1	PDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM21025 ((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Delta-type opioid receptor (GUINEA PIG)	BDBM21025 ((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50021325 (4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Delta-type opioid receptor (GUINEA PIG)	BDBM82090 (DALLE) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	2.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50150766 ((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...) Show SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12 Show InChI InChI=1S/C21H26N10O4/c1-2-31-28-18(27-29-31)16-14(33)15(34)20(35-16)30-10-23-13-17(22)25-21(26-19(13)30)24-12(9-32)8-11-6-4-3-5-7-11/h3-7,10,12,14-16,20,32-34H,2,8-9H2,1H3,(H3,22,24,25,26)/t12-,14-,15+,16-,20+/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	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in Sf21 cells co-expressing GalphaS2, beta4, gamma2				Bioorg Med Chem Lett 20: 1219-24 (2010) Article DOI: 10.1016/j.bmcl.2009.11.131 BindingDB Entry DOI: 10.7270/Q2X92BDC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	2.34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50390424 (CHEMBL2071340) Show SMILES Cc1cc(NC(=O)CCNC(=O)Nc2nc(C)c(s2)-c2ccc(c(F)c2)S(C)(=O)=O)no1 Show InChI InChI=1S/C19H20FN5O5S2/c1-10-8-15(25-30-10)23-16(26)6-7-21-18(27)24-19-22-11(2)17(31-19)12-4-5-14(13(20)9-12)32(3,28)29/h4-5,8-9H,6-7H2,1-3H3,(H,23,25,26)(H2,21,22,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged PI3K p110delta using [32P]ATP after 60 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5445-50 (2012) Article DOI: 10.1016/j.bmcl.2012.07.042 BindingDB Entry DOI: 10.7270/Q28P61MR
					More data for this Ligand-Target Pair
Mu-type opioid receptor (CALF)	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Beta-arrestin-1 (RABBIT)	BDBM82090 (DALLE) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM82090 (DALLE) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50390409 (CHEMBL1986603) Show SMILES Cc1cc(NC(=O)CCNC(=O)Nc2nc(C)c(s2)-c2ccc(cc2)-n2cccn2)no1 Show InChI InChI=1S/C21H21N7O3S/c1-13-12-17(27-31-13)25-18(29)8-10-22-20(30)26-21-24-14(2)19(32-21)15-4-6-16(7-5-15)28-11-3-9-23-28/h3-7,9,11-12H,8,10H2,1-2H3,(H,25,27,29)(H2,22,24,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged PI3K p110delta using [32P]ATP after 60 mins by scintillation proximity assay				Bioorg Med Chem Lett 22: 5445-50 (2012) Article DOI: 10.1016/j.bmcl.2012.07.042 BindingDB Entry DOI: 10.7270/Q28P61MR
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50233520 (Fevipiprant | NVP-QAW039 | QAW039) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay				ACS Med Chem Lett 8: 582-586 (2017) Article DOI: 10.1021/acsmedchemlett.7b00157 BindingDB Entry DOI: 10.7270/Q2TH8PXN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50233524 (CHEMBL3981414) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1Cl)S(C)(=O)=O Show InChI InChI=1S/C18H17ClN2O4S/c1-11-15(9-17(22)23)14-4-3-7-20-18(14)21(11)10-12-5-6-13(8-16(12)19)26(2,24)25/h3-8H,9-10H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay				ACS Med Chem Lett 8: 582-586 (2017) Article DOI: 10.1021/acsmedchemlett.7b00157 BindingDB Entry DOI: 10.7270/Q2TH8PXN
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50309479 (CHEMBL591423 | N-((2S,3S,4R,5R)-5-(6-(2,2-diphenyl...) Show SMILES CCC(=O)N[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cn(C)cn3)nc12 |r| Show InChI InChI=1S/C33H39N9O3/c1-3-27(43)38-25-16-26(30(45)29(25)44)42-20-37-28-31(39-33(40-32(28)42)34-15-14-23-18-41(2)19-36-23)35-17-24(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,18-20,24-26,29-30,44-45H,3,14-17H2,1-2H3,(H,38,43)(H2,34,35,39,40)/t25-,26+,29+,30-/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	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in Sf21 cells co-expressing GalphaS2, beta4, gamma2				Bioorg Med Chem Lett 20: 1219-24 (2010) Article DOI: 10.1016/j.bmcl.2009.11.131 BindingDB Entry DOI: 10.7270/Q2X92BDC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (CALF)	BDBM50000092 ((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50390408 (CHEMBL2071338) Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C19H20N6O2S/c1-12-16(13-5-7-14(8-6-13)25-11-3-9-21-25)28-18(22-12)23-19(27)24-10-2-4-15(24)17(20)26/h3,5-9,11,15H,2,4,10H2,1H3,(H2,20,26)(H,22,23,27)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged PI3K p110alpha by KinaseGlo assay				Bioorg Med Chem Lett 22: 5445-50 (2012) Article DOI: 10.1016/j.bmcl.2012.07.042 BindingDB Entry DOI: 10.7270/Q28P61MR
					More data for this Ligand-Target Pair
Mu-type opioid receptor (CALF)	BDBM21025 ((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50309478 (CHEMBL601514 | N-((2S,3S,4R,5R)-5-(2-(2-(1H-imidaz...) Show SMILES CCC(=O)N[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cnc[nH]3)nc12 |r| Show InChI InChI=1S/C32H37N9O3/c1-2-26(42)38-24-15-25(29(44)28(24)43)41-19-37-27-30(39-32(40-31(27)41)34-14-13-22-16-33-18-36-22)35-17-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,16,18-19,23-25,28-29,43-44H,2,13-15,17H2,1H3,(H,33,36)(H,38,42)(H2,34,35,39,40)/t24-,25+,28+,29-/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	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in Sf21 cells co-expressing GalphaS2, beta4, gamma2				Bioorg Med Chem Lett 20: 1219-24 (2010) Article DOI: 10.1016/j.bmcl.2009.11.131 BindingDB Entry DOI: 10.7270/Q2X92BDC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50309480 (CHEMBL591356 | N-((2S,3S,4R,5R)-5-(6-(2,2-diphenyl...) Show SMILES CCC(=O)N[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cn(CC)cn3)nc12 |r| Show InChI InChI=1S/C34H41N9O3/c1-3-28(44)39-26-17-27(31(46)30(26)45)43-21-38-29-32(36-18-25(22-11-7-5-8-12-22)23-13-9-6-10-14-23)40-34(41-33(29)43)35-16-15-24-19-42(4-2)20-37-24/h5-14,19-21,25-27,30-31,45-46H,3-4,15-18H2,1-2H3,(H,39,44)(H2,35,36,40,41)/t26-,27+,30+,31-/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	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in Sf21 cells co-expressing GalphaS2, beta4, gamma2				Bioorg Med Chem Lett 20: 1219-24 (2010) Article DOI: 10.1016/j.bmcl.2009.11.131 BindingDB Entry DOI: 10.7270/Q2X92BDC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50309494 ((1R,2S,3R,5S)-3-(2-(2-(1-ethyl-1H-imidazol-4-yl)et...) Show SMILES CCC(CC)CNc1nc(NCCc2cn(CC)cn2)nc2n(cnc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)n1cc(CO)cn1 |r| Show InChI InChI=1S/C27H40N10O3/c1-4-17(5-2)10-29-25-22-26(34-27(33-25)28-8-7-19-13-35(6-3)15-30-19)36(16-31-22)20-9-21(24(40)23(20)39)37-12-18(14-38)11-32-37/h11-13,15-17,20-21,23-24,38-40H,4-10,14H2,1-3H3,(H2,28,29,33,34)/t20-,21+,23+,24-/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	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in Sf21 cells co-expressing GalphaS2, beta4, gamma2				Bioorg Med Chem Lett 20: 1219-24 (2010) Article DOI: 10.1016/j.bmcl.2009.11.131 BindingDB Entry DOI: 10.7270/Q2X92BDC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50309481 (CHEMBL592541 | N-((2S,3S,4R,5R)-5-(2-(2-(1-ethyl-1...) Show SMILES CCC(CC)Nc1nc(NCCc2cn(CC)cn2)nc2n(cnc12)[C@@H]1C[C@H](NC(=O)CC)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C25H39N9O3/c1-5-15(6-2)29-23-20-24(32-25(31-23)26-10-9-16-12-33(8-4)13-27-16)34(14-28-20)18-11-17(21(36)22(18)37)30-19(35)7-3/h12-15,17-18,21-22,36-37H,5-11H2,1-4H3,(H,30,35)(H2,26,29,31,32)/t17-,18+,21+,22-/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	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in Sf21 cells co-expressing GalphaS2, beta4, gamma2				Bioorg Med Chem Lett 20: 1219-24 (2010) Article DOI: 10.1016/j.bmcl.2009.11.131 BindingDB Entry DOI: 10.7270/Q2X92BDC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM21015 ((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...) Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50233523 (CHEMBL3931906) Show SMILES CCS(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3cccnc23)c(Cl)c1 Show InChI InChI=1S/C19H19ClN2O4S/c1-3-27(25,26)14-7-6-13(17(20)9-14)11-22-12(2)16(10-18(23)24)15-5-4-8-21-19(15)22/h4-9H,3,10-11H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay				ACS Med Chem Lett 8: 582-586 (2017) Article DOI: 10.1021/acsmedchemlett.7b00157 BindingDB Entry DOI: 10.7270/Q2TH8PXN
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50233522 (CHEMBL3932668) Show SMILES CCS(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3cccnc23)c(c1)C(F)(F)F Show InChI InChI=1S/C20H19F3N2O4S/c1-3-30(28,29)14-7-6-13(17(9-14)20(21,22)23)11-25-12(2)16(10-18(26)27)15-5-4-8-24-19(15)25/h4-9H,3,10-11H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human DP2 receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay				ACS Med Chem Lett 8: 582-586 (2017) Article DOI: 10.1021/acsmedchemlett.7b00157 BindingDB Entry DOI: 10.7270/Q2TH8PXN
					More data for this Ligand-Target Pair
Opioid receptor delta 1 (Bos taurus)	BDBM82090 (DALLE) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24+/m1/s1	PDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50309487 (CHEMBL601515 | N-((2S,3S,4R,5R)-5-(6-(2,2-diphenyl...) Show SMILES CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](NC(=O)C5CCC5)[C@@H](O)[C@H]4O)c3n2)c1 |r| Show InChI InChI=1S/C37H45N9O3/c1-23(2)45-20-27(40-21-45)16-17-38-37-43-34(39-19-28(24-10-5-3-6-11-24)25-12-7-4-8-13-25)31-35(44-37)46(22-41-31)30-18-29(32(47)33(30)48)42-36(49)26-14-9-15-26/h3-8,10-13,20-23,26,28-30,32-33,47-48H,9,14-19H2,1-2H3,(H,42,49)(H2,38,39,43,44)/t29-,30+,32+,33-/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	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in Sf21 cells co-expressing GalphaS2, beta4, gamma2				Bioorg Med Chem Lett 20: 1219-24 (2010) Article DOI: 10.1016/j.bmcl.2009.11.131 BindingDB Entry DOI: 10.7270/Q2X92BDC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50309482 (CHEMBL592540 | N-((2S,3S,4R,5R)-3,4-dihydroxy-5-(2...) Show SMILES CCC(CC)Nc1nc(NCCc2cn(cn2)C(C)C)nc2n(cnc12)[C@@H]1C[C@H](NC(=O)CC)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C26H41N9O3/c1-6-16(7-2)30-24-21-25(33-26(32-24)27-10-9-17-12-34(13-28-17)15(4)5)35(14-29-21)19-11-18(22(37)23(19)38)31-20(36)8-3/h12-16,18-19,22-23,37-38H,6-11H2,1-5H3,(H,31,36)(H2,27,30,32,33)/t18-,19+,22+,23-/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	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in Sf21 cells co-expressing GalphaS2, beta4, gamma2				Bioorg Med Chem Lett 20: 1219-24 (2010) Article DOI: 10.1016/j.bmcl.2009.11.131 BindingDB Entry DOI: 10.7270/Q2X92BDC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (CALF)	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Opioid receptor delta 1 (Bos taurus)	BDBM21025 ((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1	PDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Mus musculus (mouse))	BDBM50442299 (CHEMBL2442750) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]-prostaglandin D2 from mouse CRTh2 receptor expressed in CHO cells after 2 hrs				Bioorg Med Chem 21: 6582-91 (2013) Article DOI: 10.1016/j.bmc.2013.08.025 BindingDB Entry DOI: 10.7270/Q2QR4ZKF
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50390426 (CHEMBL2071329) Show SMILES CC(=O)Nc1nc(C)c(s1)-c1ccc(c(Br)c1)S(C)(=O)=O Show InChI InChI=1S/C13H13BrN2O3S2/c1-7-12(20-13(15-7)16-8(2)17)9-4-5-11(10(14)6-9)21(3,18)19/h4-6H,1-3H3,(H,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged PI3K p110alpha by KinaseGlo assay				Bioorg Med Chem Lett 22: 5445-50 (2012) Article DOI: 10.1016/j.bmcl.2012.07.042 BindingDB Entry DOI: 10.7270/Q28P61MR
					More data for this Ligand-Target Pair
Delta-type opioid receptor (GUINEA PIG)	BDBM81934 (Beta-Endorphin) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(O)=O Show InChI InChI=1S/C154H248N42O44S/c1-17-82(10)123(150(235)191-121(80(6)7)148(233)181-98(43-28-33-60-159)133(218)185-108(69-115(163)205)138(223)170-83(11)127(212)182-107(68-91-71-165-77-169-91)143(228)177-95(40-25-30-57-156)131(216)174-94(39-24-29-56-155)130(215)168-74-119(209)172-102(154(239)240)50-53-114(162)204)192-128(213)84(12)171-139(224)109(70-116(164)206)184-132(217)96(41-26-31-58-157)176-142(227)106(67-89-37-22-19-23-38-89)183-140(225)103(63-78(2)3)187-151(236)125(86(14)200)194-149(234)122(81(8)9)190-144(229)104(64-79(4)5)186-147(232)112-44-34-61-196(112)153(238)126(87(15)201)195-136(221)99(49-52-113(161)203)178-145(230)110(75-197)188-134(219)97(42-27-32-59-158)175-135(220)100(51-54-120(210)211)179-146(231)111(76-198)189-152(237)124(85(13)199)193-137(222)101(55-62-241-16)180-141(226)105(66-88-35-20-18-21-36-88)173-118(208)73-166-117(207)72-167-129(214)93(160)65-90-45-47-92(202)48-46-90/h18-23,35-38,45-48,71,77-87,93-112,121-126,197-202H,17,24-34,39-44,49-70,72-76,155-160H2,1-16H3,(H2,161,203)(H2,162,204)(H2,163,205)(H2,164,206)(H,165,169)(H,166,207)(H,167,214)(H,168,215)(H,170,223)(H,171,224)(H,172,209)(H,173,208)(H,174,216)(H,175,220)(H,176,227)(H,177,228)(H,178,230)(H,179,231)(H,180,226)(H,181,233)(H,182,212)(H,183,225)(H,184,217)(H,185,218)(H,186,232)(H,187,236)(H,188,219)(H,189,237)(H,190,229)(H,191,235)(H,192,213)(H,193,222)(H,194,234)(H,195,221)(H,210,211)(H,239,240)/t82-,83-,84-,85+,86+,87+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,121-,122-,123-,124-,125-,126-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	12.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Mu-type opioid receptor (CALF)	BDBM50021325 (4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9....) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O |TLB:13:12:8.9.10:1.3.2| Show InChI InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	13.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Delta-type opioid receptor (GUINEA PIG)	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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	13.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM356652 (US10213433, Compound 34 | US11369599, Compound 34 ...) Show SMILES CO[C@H]1CC[C@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |wU:5.5,wD:2.1,t:48,(-3.85,-16.17,;-2.52,-15.4,;-2.52,-13.86,;-1.18,-13.09,;-1.18,-11.55,;-2.52,-10.78,;-2.52,-9.24,;-1.18,-8.47,;-1.18,-6.93,;-2.52,-6.16,;-2.52,-4.62,;-1.18,-3.85,;.15,-4.62,;.15,-6.16,;1.48,-6.93,;2.82,-6.16,;1.48,-8.47,;-1.18,-2.31,;-2.72,-2.31,;.36,-2.31,;-1.18,-.77,;-2.52,,;-3.85,-.77,;-2.52,1.54,;-3.85,2.31,;-3.85,3.85,;-2.52,4.62,;-1.18,3.85,;-1.18,2.31,;.15,1.54,;1.48,2.31,;1.48,3.85,;2.82,4.62,;4.15,3.85,;5.61,4.33,;6.52,3.08,;5.61,1.83,;4.15,2.31,;2.82,1.54,;-2.52,6.16,;-3.85,6.93,;-3.85,8.47,;-2.52,9.24,;-2.52,10.78,;-1.18,11.55,;-1.18,13.09,;.15,13.86,;1.48,13.09,;2.25,14.42,;3.02,13.09,;1.48,11.55,;.15,10.78,;-2.52,13.86,;-3.85,13.09,;-5.19,13.86,;-5.19,15.4,;-6.52,16.17,;-3.85,16.17,;-2.52,15.4,;-1.18,8.47,;-1.18,6.93,;-3.85,-11.55,;-3.85,-13.09,)| Show InChI InChI=1S/C47H54ClN7O7S/c1-47(2)18-16-34(41(27-47)32-6-8-35(48)9-7-32)30-53-20-22-54(23-21-53)36-10-14-40(44(25-36)62-38-24-33-17-19-49-45(33)51-29-38)46(56)52-63(59,60)39-13-15-42(43(26-39)55(57)58)50-28-31-4-11-37(61-3)12-5-31/h6-10,13-15,17,19,24-26,29,31,37,50H,4-5,11-12,16,18,20-23,27-28,30H2,1-3H3,(H,49,51)(H,52,56)/t31-,37-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of Bcl-xL (unknown origin)				J Med Chem 61: 2636-2651 (2018) Article DOI: 10.1021/acs.jmedchem.7b00717 BindingDB Entry DOI: 10.7270/Q2ZK5K94
					More data for this Ligand-Target Pair
Opioid receptor delta 1 (Bos taurus)	BDBM81934 (Beta-Endorphin) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(O)=O Show InChI InChI=1S/C154H248N42O44S/c1-17-82(10)123(150(235)191-121(80(6)7)148(233)181-98(43-28-33-60-159)133(218)185-108(69-115(163)205)138(223)170-83(11)127(212)182-107(68-91-71-165-77-169-91)143(228)177-95(40-25-30-57-156)131(216)174-94(39-24-29-56-155)130(215)168-74-119(209)172-102(154(239)240)50-53-114(162)204)192-128(213)84(12)171-139(224)109(70-116(164)206)184-132(217)96(41-26-31-58-157)176-142(227)106(67-89-37-22-19-23-38-89)183-140(225)103(63-78(2)3)187-151(236)125(86(14)200)194-149(234)122(81(8)9)190-144(229)104(64-79(4)5)186-147(232)112-44-34-61-196(112)153(238)126(87(15)201)195-136(221)99(49-52-113(161)203)178-145(230)110(75-197)188-134(219)97(42-27-32-59-158)175-135(220)100(51-54-120(210)211)179-146(231)111(76-198)189-152(237)124(85(13)199)193-137(222)101(55-62-241-16)180-141(226)105(66-88-35-20-18-21-36-88)173-118(208)73-166-117(207)72-167-129(214)93(160)65-90-45-47-92(202)48-46-90/h18-23,35-38,45-48,71,77-87,93-112,121-126,197-202H,17,24-34,39-44,49-70,72-76,155-160H2,1-16H3,(H2,161,203)(H2,162,204)(H2,163,205)(H2,164,206)(H,165,169)(H,166,207)(H,167,214)(H,168,215)(H,170,223)(H,171,224)(H,172,209)(H,173,208)(H,174,216)(H,175,220)(H,176,227)(H,177,228)(H,178,230)(H,179,231)(H,180,226)(H,181,233)(H,182,212)(H,183,225)(H,184,217)(H,185,218)(H,186,232)(H,187,236)(H,188,219)(H,189,237)(H,190,229)(H,191,235)(H,192,213)(H,193,222)(H,194,234)(H,195,221)(H,210,211)(H,239,240)/t82-,83-,84-,85+,86+,87+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,121-,122-,123-,124-,125-,126-/m0/s1	PDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Mu-type opioid receptor (CALF)	BDBM21025 ((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	14.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM21025 ((2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydro...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	15.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50309486 (CHEMBL589348 | N-((2S,3S,4R,5R)-5-(6-(2,2-diphenyl...) Show SMILES CC(C)n1cnc(CCNc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](NC(=O)C5CC5)[C@@H](O)[C@H]4O)c3n2)c1 |r| Show InChI InChI=1S/C36H43N9O3/c1-22(2)44-19-26(39-20-44)15-16-37-36-42-33(38-18-27(23-9-5-3-6-10-23)24-11-7-4-8-12-24)30-34(43-36)45(21-40-30)29-17-28(31(46)32(29)47)41-35(48)25-13-14-25/h3-12,19-22,25,27-29,31-32,46-47H,13-18H2,1-2H3,(H,41,48)(H2,37,38,42,43)/t28-,29+,31+,32-/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	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in Sf21 cells co-expressing GalphaS2, beta4, gamma2				Bioorg Med Chem Lett 20: 1219-24 (2010) Article DOI: 10.1016/j.bmcl.2009.11.131 BindingDB Entry DOI: 10.7270/Q2X92BDC
					More data for this Ligand-Target Pair
Mu-type opioid receptor (CALF)	BDBM82090 (DALLE) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	16.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stanford University Curated by PDSP Ki Database									J Pharmacol Exp Ther 214: 395-402 (1980) BindingDB Entry DOI: 10.7270/Q2NC5ZPR
					More data for this Ligand-Target Pair

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