Compile Data Set for Download or QSAR

Found 4119 hits with Last Name = 'ida' and Initial = 'k'   

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
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480930 (CHEMBL584130 | KNI-814) Show SMILES Cc1cccc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C |r| Show InChI InChI=1S/C33H39N3O5S/c1-20-11-9-12-21(2)25(20)18-34-31(40)29-33(4,5)42-19-36(29)32(41)28(38)26(17-23-13-7-6-8-14-23)35-30(39)24-15-10-16-27(37)22(24)3/h6-16,26,28-29,37-38H,17-19H2,1-5H3,(H,34,40)(H,35,39)/t26-,28-,29+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease after 15 mins by fluorescence assay				J Med Chem 52: 7604-17 (2009) Article DOI: 10.1021/jm9005115 BindingDB Entry DOI: 10.7270/Q2FR00F2
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM580 ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) Show SMILES Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C |r| Show InChI InChI=1S/C32H37N3O5S/c1-20-11-8-9-14-23(20)18-33-30(39)28-32(3,4)41-19-35(28)31(40)27(37)25(17-22-12-6-5-7-13-22)34-29(38)24-15-10-16-26(36)21(24)2/h5-16,25,27-28,36-37H,17-19H2,1-4H3,(H,33,39)(H,34,38)/t25-,27-,28+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease after 15 mins by fluorescence assay				J Med Chem 52: 7604-17 (2009) Article DOI: 10.1021/jm9005115 BindingDB Entry DOI: 10.7270/Q2FR00F2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gastrin/cholecystokinin type B receptor (GUINEA PIG)	BDBM50084033 (1H-Indole-2-carboxylic acid [(R)-1-(2-fluoro-pheny...) Show SMILES Fc1ccccc1C1=N[C@@H](NC(=O)c2cc3ccccc3[nH]2)C(=O)N2CCc3cccc1c23 |t:8| Show InChI InChI=1S/C26H19FN4O2/c27-19-10-3-2-8-17(19)22-18-9-5-7-15-12-13-31(23(15)18)26(33)24(29-22)30-25(32)21-14-16-6-1-4-11-20(16)28-21/h1-11,14,24,28H,12-13H2,(H,30,32)/t24-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co. Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 571-5 (1994) BindingDB Entry DOI: 10.7270/Q2WQ029S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50547388 (CHEMBL4758966) Show SMILES CCOc1ccc2Nc3ccc(Cl)cc3N=C(C3=C[C@H](C)N(C)CC3)c2c1 |r,t:16,18| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human 5HT2A receptor				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127563 BindingDB Entry DOI: 10.7270/Q26113Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50547385 (CHEMBL4745124) Show SMILES C[C@H]1C=C(CCN1C)C1=Nc2cc(Cl)ccc2Nc2ccc(C)cc12 |r,c:2,t:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human 5HT2A receptor				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127563 BindingDB Entry DOI: 10.7270/Q26113Z0
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50323472 ((R)-3-((2S,3S)-3-(2-(4-((2-aminoethyl)(ethyl)amino...) Show SMILES CCN(CCN)c1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c(C)c1 |r| Show InChI InChI=1S/C39H51N5O6S/c1-6-43(17-16-40)28-18-24(2)35(25(3)19-28)50-22-32(46)41-30(20-26-12-8-7-9-13-26)34(47)38(49)44-23-51-39(4,5)36(44)37(48)42-33-29-15-11-10-14-27(29)21-31(33)45/h7-15,18-19,30-31,33-34,36,45,47H,6,16-17,20-23,40H2,1-5H3,(H,41,46)(H,42,48)/t30-,31+,33-,34-,36+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2				Bioorg Med Chem Lett 20: 4836-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.099 BindingDB Entry DOI: 10.7270/Q2F18ZXQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasmepsin II (Plasmodium falciparum)	BDBM50323469 ((R)-3-((2S,3S)-3-(2-(4-((2-(dimethylamino)ethyl)(m...) Show SMILES CN(C)CCN(C)c1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c(C)c1 |r| Show InChI InChI=1S/C40H53N5O6S/c1-25-19-29(44(7)18-17-43(5)6)20-26(2)36(25)51-23-33(47)41-31(21-27-13-9-8-10-14-27)35(48)39(50)45-24-52-40(3,4)37(45)38(49)42-34-30-16-12-11-15-28(30)22-32(34)46/h8-16,19-20,31-32,34-35,37,46,48H,17-18,21-24H2,1-7H3,(H,41,47)(H,42,49)/t31-,32+,34-,35-,37+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2				Bioorg Med Chem Lett 20: 4836-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.099 BindingDB Entry DOI: 10.7270/Q2F18ZXQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Delta-type opioid receptor (MOUSE)	BDBM50253136 (CHEMBL4075409) Show SMILES [H][C@]12CN(C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1CC=C)C23)C(=O)c1ccccc1 |r,TLB:3:4:18:8.1,2:1:18:5.6.4,6:7:21.20.19:10.17.11,17:18:8.1:5.6.4,16:17:21.20.19:7,THB:19:18:8.1:5.6.4| Show InChI InChI=1S/C28H30N2O3/c1-2-13-29-14-12-27-21-16-20(31)9-8-19(21)15-24(29)28(27)11-10-22-25(27)23(33-28)17-30(22)26(32)18-6-4-3-5-7-18/h2-9,16,22-25,31H,1,10-15,17H2/t22?,23-,24?,25?,27?,28?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum membrane				Bioorg Med Chem Lett 27: 2742-2745 (2017) Article DOI: 10.1016/j.bmcl.2017.04.059 BindingDB Entry DOI: 10.7270/Q2H134GP
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50547397 (LU-31-130 | Lu 31-130 | Zicronapine) Show SMILES CN1CCN(CC1(C)C)[C@@H]1C[C@H](c2ccc(Cl)cc12)c1ccccc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human dopamine D1 receptor				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127563 BindingDB Entry DOI: 10.7270/Q26113Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50547386 (CHEMBL4760903) Show SMILES CCc1ccc2Nc3ccc(Cl)cc3N=C(C3=C[C@H](C)N(C)CC3)c2c1 |r,t:15,17| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human 5HT2A receptor				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127563 BindingDB Entry DOI: 10.7270/Q26113Z0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50547389 (CHEMBL4745489) Show SMILES C[C@H]1C=C(CCN1C)C1=Nc2cc(Cl)ccc2Nc2ccc(OC(F)(F)F)cc12 |r,c:2,t:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human 5HT2A receptor				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127563 BindingDB Entry DOI: 10.7270/Q26113Z0
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50253129 (CHEMBL4066752) Show SMILES [H][C@]12CN(C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccccc1 |r,TLB:3:4:18:8.1,2:1:18:5.6.4,6:7:21.20.19:10.17.11,17:18:8.1:5.6.4,22:21:7:10.17.11,16:17:21.20.19:7,THB:19:18:8.1:5.6.4| Show InChI InChI=1S/C29H32N2O3/c32-21-9-8-20-14-25-29-11-10-23-26(24(34-29)17-31(23)27(33)19-4-2-1-3-5-19)28(29,22(20)15-21)12-13-30(25)16-18-6-7-18/h1-5,8-9,15,18,23-26,32H,6-7,10-14,16-17H2/t23?,24-,25?,26?,28?,29?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.154	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 27: 2742-2745 (2017) Article DOI: 10.1016/j.bmcl.2017.04.059 BindingDB Entry DOI: 10.7270/Q2H134GP
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50454212 (CHEBI:64217 | Emonapride | Nemonapride) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NC1CCN(Cc2ccccc2)C1C Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Binding affinity of the compound to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand				J Med Chem 39: 2764-72 (1996) Article DOI: 10.1021/jm9601720 BindingDB Entry DOI: 10.7270/Q2SB44VK
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50454212 (CHEBI:64217 | Emonapride | Nemonapride) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)NC1CCN(Cc2ccccc2)C1C Show InChI InChI=1S/C21H26ClN3O2/c1-14-18(9-10-25(14)13-15-7-5-4-6-8-15)24-21(26)16-11-17(22)19(23-2)12-20(16)27-3/h4-8,11-12,14,18,23H,9-10,13H2,1-3H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Binding affinity to rat Dopamine receptor D2 expressesd in CHO cells was determined using [125 I ] iodosulpride as radioligand				J Med Chem 39: 2764-72 (1996) Article DOI: 10.1021/jm9601720 BindingDB Entry DOI: 10.7270/Q2SB44VK
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50121729 (CHEMBL368169 | KNI-1167 | N-[(S)-3-[N-Benzyl-N'-(3...) Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N(Cc1ccccc1)NC(=O)c1cccc(O)c1C Show InChI InChI=1S/C33H33N3O6/c1-21-25(15-9-17-28(21)37)31(40)34-27(19-23-11-5-3-6-12-23)30(39)33(42)36(20-24-13-7-4-8-14-24)35-32(41)26-16-10-18-29(38)22(26)2/h3-18,27,30,37-39H,19-20H2,1-2H3,(H,34,40)(H,35,41)/t27-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against HIV-1 protease				Bioorg Med Chem Lett 13: 93-6 (2002) BindingDB Entry DOI: 10.7270/Q2N29W9D
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50355491 (CHEMBL1835870) Show SMILES Nc1nc(Nc2ccc(cc2)[C@H]2CC[C@@H](CC2)N2CCOCC2)nn1-c1ccccn1 |r,wU:11.11,wD:14.18,(-9.05,.18,;-7.58,.64,;-7.09,2.1,;-5.55,2.08,;-4.8,3.43,;-3.26,3.44,;-2.48,2.12,;-.94,2.14,;-.18,3.48,;-.98,4.81,;-2.52,4.79,;1.35,3.5,;2.1,4.85,;3.65,4.86,;4.44,3.53,;3.68,2.19,;2.14,2.18,;5.97,3.55,;6.75,2.22,;8.29,2.23,;9.05,3.57,;8.27,4.9,;6.73,4.89,;-5.09,.62,;-6.35,-.28,;-6.36,-1.81,;-5.04,-2.59,;-5.05,-4.13,;-6.39,-4.89,;-7.72,-4.11,;-7.71,-2.57,)| Show InChI InChI=1S/C23H29N7O/c24-22-27-23(28-30(22)21-3-1-2-12-25-21)26-19-8-4-17(5-9-19)18-6-10-20(11-7-18)29-13-15-31-16-14-29/h1-5,8-9,12,18,20H,6-7,10-11,13-16H2,(H3,24,26,27,28)/t18-,20-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of human recombinant FLT3 by radiometric assay				J Med Chem 55: 725-34 (2012) Article DOI: 10.1021/jm201198w BindingDB Entry DOI: 10.7270/Q2GQ6Z6R
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50480931 (CHEMBL575512 | KNI-1614) Show SMILES CC(=C)CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C |r| Show InChI InChI=1S/C28H35N3O5S/c1-17(2)15-29-26(35)24-28(4,5)37-16-31(24)27(36)23(33)21(14-19-10-7-6-8-11-19)30-25(34)20-12-9-13-22(32)18(20)3/h6-13,21,23-24,32-33H,1,14-16H2,2-5H3,(H,29,35)(H,30,34)/t21-,23-,24+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of HIV1 recombinant protease after 15 mins by fluorescence assay				J Med Chem 52: 7604-17 (2009) Article DOI: 10.1021/jm9005115 BindingDB Entry DOI: 10.7270/Q2FR00F2
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50547390 (CHEMBL4758723) Show SMILES C[C@H]1C=C(CCN1C)C1=Nc2cc(Cl)ccc2Nc2ccc(F)cc12 |r,c:2,t:9| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human dopamine D1 receptor				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127563 BindingDB Entry DOI: 10.7270/Q26113Z0
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50209553 ((R)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl...) Show SMILES CSC[C@H](NC(=O)Cc1ccccc1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C38H46N4O6S2/c1-23-12-8-9-15-25(23)20-31(44)39-29(21-49-4)35(46)40-28(18-24-13-6-5-7-14-24)33(45)37(48)42-22-50-38(2,3)34(42)36(47)41-32-27-17-11-10-16-26(27)19-30(32)43/h5-17,28-30,32-34,43,45H,18-22H2,1-4H3,(H,39,44)(H,40,46)(H,41,47)/t28-,29-,30+,32-,33-,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2				Bioorg Med Chem Lett 17: 3048-52 (2007) Article DOI: 10.1016/j.bmcl.2007.03.052 BindingDB Entry DOI: 10.7270/Q2J102VZ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50254132 (CHEMBL4083940) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H34N2O2/c33-23-9-8-21-14-26-29-11-10-25-27(22(16-29)18-32(25)28(34)20-4-2-1-3-5-20)30(29,24(21)15-23)12-13-31(26)17-19-6-7-19/h1-5,8-9,15,19,22,25-27,33H,6-7,10-14,16-18H2/t22-,25?,26?,27?,29?,30?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.211	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50253140 (CHEMBL4081856) Show SMILES [H][C@]12CN(C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)S(=O)(=O)c1ccccc1 |r,TLB:16:17:21.20.19:7,3:4:18:8.1,2:1:18:5.6.4,6:7:21.20.19:10.17.11,17:18:8.1:5.6.4,THB:19:18:8.1:5.6.4| Show InChI InChI=1S/C28H32N2O4S/c31-20-9-8-19-14-25-28-11-10-23-26(27(28,22(19)15-20)12-13-29(25)16-18-6-7-18)24(34-28)17-30(23)35(32,33)21-4-2-1-3-5-21/h1-5,8-9,15,18,23-26,31H,6-7,10-14,16-17H2/t23?,24-,25?,26?,27?,28?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.221	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 27: 2742-2745 (2017) Article DOI: 10.1016/j.bmcl.2017.04.059 BindingDB Entry DOI: 10.7270/Q2H134GP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50254124 (CHEMBL4103044) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccoc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C28H32N2O3/c31-21-4-3-18-11-24-27-7-5-23-25(20(13-27)15-30(23)26(32)19-6-10-33-16-19)28(27,22(18)12-21)8-9-29(24)14-17-1-2-17/h3-4,6,10,12,16-17,20,23-25,31H,1-2,5,7-9,11,13-15H2/t20-,23?,24?,25?,27?,28?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.221	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from human recombinant KOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50274257 ((2E)-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-...) Show SMILES CN([C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45)C(=O)\C=C\c1ccco1 |r,TLB:4:5:9.25.8:18.20.19,THB:6:5:9.25.8:18.20.19| Show InChI InChI=1S/C28H32N2O5/c1-29(23(32)9-7-19-3-2-14-34-19)20-10-11-28(33)22-15-18-6-8-21(31)25-24(18)27(28,26(20)35-25)12-13-30(22)16-17-4-5-17/h2-3,6-9,14,17,20,22,26,31,33H,4-5,10-13,15-16H2,1H3/b9-7+/t20-,22-,26+,27+,28-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.225	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from guinea pig cerebellum kappa opioid receptor				Bioorg Med Chem Lett 20: 121-4 (2010) Article DOI: 10.1016/j.bmcl.2009.11.027 BindingDB Entry DOI: 10.7270/Q2GX4CJH
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (GUINEA PIG)	BDBM21147 ((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co. Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 571-5 (1994) BindingDB Entry DOI: 10.7270/Q2WQ029S
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50052196 (CHEMBL319597 | N-((S)-1-Bicyclo[3.3.1]non-9-yl-pyr...) Show SMILES CNc1cc(OC)c(cc1Cl)C(=O)N[C@H]1CCN(C1)C1C2CCCC1CCC2 |THB:17:19:26.27.25:22.21.23| Show InChI InChI=1S/C22H32ClN3O2/c1-24-19-12-20(28-2)17(11-18(19)23)22(27)25-16-9-10-26(13-16)21-14-5-3-6-15(21)8-4-7-14/h11-12,14-16,21,24H,3-10,13H2,1-2H3,(H,25,27)/t14?,15?,16-,21?/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Binding affinity of the compound to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand				J Med Chem 39: 2764-72 (1996) Article DOI: 10.1021/jm9601720 BindingDB Entry DOI: 10.7270/Q2SB44VK
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50121730 (CHEMBL366433 | {1-[(S)-3-{N-Benzyl-N'-[2-(2,6-dime...) Show SMILES CSC[C@H](NC(=O)OCc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N(Cc1ccccc1)NC(=O)COc1c(C)cccc1C Show InChI InChI=1S/C42H45N5O7S/c1-28-12-10-13-29(2)39(28)53-26-37(48)46-47(24-31-16-8-5-9-17-31)41(51)38(49)35(22-30-14-6-4-7-15-30)44-40(50)36(27-55-3)45-42(52)54-25-33-19-11-18-32-23-43-21-20-34(32)33/h4-21,23,35-36,38,49H,22,24-27H2,1-3H3,(H,44,50)(H,45,52)(H,46,48)/t35-,36-,38-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against HIV-1 protease				Bioorg Med Chem Lett 13: 93-6 (2002) BindingDB Entry DOI: 10.7270/Q2N29W9D
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50254133 (CHEMBL4076632) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)Nc1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H35N3O2/c34-23-9-8-20-14-26-29-11-10-25-27(30(29,24(20)15-23)12-13-32(26)17-19-6-7-19)21(16-29)18-33(25)28(35)31-22-4-2-1-3-5-22/h1-5,8-9,15,19,21,25-27,34H,6-7,10-14,16-18H2,(H,31,35)/t21-,25?,26?,27?,29?,30?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.265	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50253129 (CHEMBL4066752) Show SMILES [H][C@]12CN(C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccccc1 |r,TLB:3:4:18:8.1,2:1:18:5.6.4,6:7:21.20.19:10.17.11,17:18:8.1:5.6.4,22:21:7:10.17.11,16:17:21.20.19:7,THB:19:18:8.1:5.6.4| Show InChI InChI=1S/C29H32N2O3/c32-21-9-8-20-14-25-29-11-10-23-26(24(34-29)17-31(23)27(33)19-4-2-1-3-5-19)28(29,22(20)15-21)12-13-30(25)16-18-6-7-18/h1-5,8-9,15,18,23-26,32H,6-7,10-14,16-17H2/t23?,24-,25?,26?,28?,29?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.274	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum membrane				Bioorg Med Chem Lett 27: 2742-2745 (2017) Article DOI: 10.1016/j.bmcl.2017.04.059 BindingDB Entry DOI: 10.7270/Q2H134GP
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.282	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Adenosine A1 receptor binding using [3H]DPCPX in rat cortical membranes				J Med Chem 42: 779-83 (1999) Article DOI: 10.1021/jm980671w BindingDB Entry DOI: 10.7270/Q2J105WN
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50253138 (CHEMBL4076303) Show SMILES [H][C@]12CN(C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1C)C23)C(=O)c1ccccc1 |r,TLB:3:4:18:8.1,2:1:18:5.6.4,6:7:21.20.19:10.17.11,17:18:8.1:5.6.4,16:17:21.20.19:7,THB:19:18:8.1:5.6.4| Show InChI InChI=1S/C26H28N2O3/c1-27-12-11-25-19-14-18(29)8-7-17(19)13-22(27)26(25)10-9-20-23(25)21(31-26)15-28(20)24(30)16-5-3-2-4-6-16/h2-8,14,20-23,29H,9-13,15H2,1H3/t20?,21-,22?,23?,25?,26?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.301	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum membrane				Bioorg Med Chem Lett 27: 2742-2745 (2017) Article DOI: 10.1016/j.bmcl.2017.04.059 BindingDB Entry DOI: 10.7270/Q2H134GP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50253140 (CHEMBL4081856) Show SMILES [H][C@]12CN(C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)S(=O)(=O)c1ccccc1 |r,TLB:16:17:21.20.19:7,3:4:18:8.1,2:1:18:5.6.4,6:7:21.20.19:10.17.11,17:18:8.1:5.6.4,THB:19:18:8.1:5.6.4| Show InChI InChI=1S/C28H32N2O4S/c31-20-9-8-19-14-25-28-11-10-23-26(27(28,22(19)15-20)12-13-29(25)16-18-6-7-18)24(34-28)17-30(23)35(32,33)21-4-2-1-3-5-21/h1-5,8-9,15,18,23-26,31H,6-7,10-14,16-17H2/t23?,24-,25?,26?,27?,28?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.308	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 27: 2742-2745 (2017) Article DOI: 10.1016/j.bmcl.2017.04.059 BindingDB Entry DOI: 10.7270/Q2H134GP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50010652 (CHEMBL3264742) Show SMILES [H][C@]12O[C@]34CC[C@@]5(OCOc6c(O)ccc7C[C@@]3([H])N(CC3CC3)CC[C@]4(c67)[C@]15[H])N(Cc1ccccc1)C2=O |r,TLB:20:19:3:27.15.16,THB:7:6:26:1.2| Show InChI InChI=1S/C30H32N2O5/c33-21-9-8-20-14-22-29-10-11-30-26(25(37-29)27(34)32(30)16-18-4-2-1-3-5-18)28(29,23(20)24(21)35-17-36-30)12-13-31(22)15-19-6-7-19/h1-5,8-9,19,22,25-26,33H,6-7,10-17H2/t22-,25+,26+,28+,29-,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.313	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain cerebellum membrane				ACS Med Chem Lett 5: 368-72 (2014) Article DOI: 10.1021/ml400491k BindingDB Entry DOI: 10.7270/Q2GF0W23
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50254124 (CHEMBL4103044) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccoc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C28H32N2O3/c31-21-4-3-18-11-24-27-7-5-23-25(20(13-27)15-30(23)26(32)19-6-10-33-16-19)28(27,22(18)12-21)8-9-29(24)14-17-1-2-17/h3-4,6,10,12,16-17,20,23-25,31H,1-2,5,7-9,11,13-15H2/t20-,23?,24?,25?,27?,28?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.313	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50253129 (CHEMBL4066752) Show SMILES [H][C@]12CN(C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccccc1 |r,TLB:3:4:18:8.1,2:1:18:5.6.4,6:7:21.20.19:10.17.11,17:18:8.1:5.6.4,22:21:7:10.17.11,16:17:21.20.19:7,THB:19:18:8.1:5.6.4| Show InChI InChI=1S/C29H32N2O3/c32-21-9-8-20-14-25-29-11-10-23-26(24(34-29)17-31(23)27(33)19-4-2-1-3-5-19)28(29,22(20)15-21)12-13-30(25)16-18-6-7-18/h1-5,8-9,15,18,23-26,32H,6-7,10-14,16-17H2/t23?,24-,25?,26?,28?,29?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.325	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain without cerebellum membrane				Bioorg Med Chem Lett 27: 2742-2745 (2017) Article DOI: 10.1016/j.bmcl.2017.04.059 BindingDB Entry DOI: 10.7270/Q2H134GP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50254133 (CHEMBL4076632) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)Nc1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H35N3O2/c34-23-9-8-20-14-26-29-11-10-25-27(30(29,24(20)15-23)12-13-32(26)17-19-6-7-19)21(16-29)18-33(25)28(35)31-22-4-2-1-3-5-22/h1-5,8-9,15,19,21,25-27,34H,6-7,10-14,16-18H2,(H,31,35)/t21-,25?,26?,27?,29?,30?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.336	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from human recombinant KOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50254131 (CHEMBL4094845) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)c1cnccn1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C27H32N4O/c32-20-4-3-18-11-23-26-6-5-22-25(19(13-26)16-31(22)24-14-28-8-9-29-24)27(26,21(18)12-20)7-10-30(23)15-17-1-2-17/h3-4,8-9,12,14,17,19,22-23,25,32H,1-2,5-7,10-11,13,15-16H2/t19-,22?,23?,25?,26?,27?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.356	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50254132 (CHEMBL4083940) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccccc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C30H34N2O2/c33-23-9-8-21-14-26-29-11-10-25-27(22(16-29)18-32(25)28(34)20-4-2-1-3-5-20)30(29,24(21)15-23)12-13-31(26)17-19-6-7-19/h1-5,8-9,15,19,22,25-27,33H,6-7,10-14,16-18H2/t22-,25?,26?,27?,29?,30?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.362	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from human recombinant KOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50253137 (CHEMBL4076673) Show SMILES [H][C@]12CN(C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1CCCOC)C23)C(=O)c1ccccc1 |r,TLB:3:4:18:8.1,2:1:18:5.6.4,6:7:21.20.19:10.17.11,17:18:8.1:5.6.4,16:17:21.20.19:7,THB:19:18:8.1:5.6.4| Show InChI InChI=1S/C29H34N2O4/c1-34-15-5-13-30-14-12-28-22-17-21(32)9-8-20(22)16-25(30)29(28)11-10-23-26(28)24(35-29)18-31(23)27(33)19-6-3-2-4-7-19/h2-4,6-9,17,23-26,32H,5,10-16,18H2,1H3/t23?,24-,25?,26?,28?,29?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	0.368	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum membrane				Bioorg Med Chem Lett 27: 2742-2745 (2017) Article DOI: 10.1016/j.bmcl.2017.04.059 BindingDB Entry DOI: 10.7270/Q2H134GP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50253138 (CHEMBL4076303) Show SMILES [H][C@]12CN(C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1C)C23)C(=O)c1ccccc1 |r,TLB:3:4:18:8.1,2:1:18:5.6.4,6:7:21.20.19:10.17.11,17:18:8.1:5.6.4,16:17:21.20.19:7,THB:19:18:8.1:5.6.4| Show InChI InChI=1S/C26H28N2O3/c1-27-12-11-25-19-14-18(29)8-7-17(19)13-22(27)26(25)10-9-20-23(25)21(31-26)15-28(20)24(30)16-5-3-2-4-6-16/h2-8,14,20-23,29H,9-13,15H2,1H3/t20?,21-,22?,23?,25?,26?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.383	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain without cerebellum membrane				Bioorg Med Chem Lett 27: 2742-2745 (2017) Article DOI: 10.1016/j.bmcl.2017.04.059 BindingDB Entry DOI: 10.7270/Q2H134GP
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (RAT)	BDBM50084033 (1H-Indole-2-carboxylic acid [(R)-1-(2-fluoro-pheny...) Show SMILES Fc1ccccc1C1=N[C@@H](NC(=O)c2cc3ccccc3[nH]2)C(=O)N2CCc3cccc1c23 |t:8| Show InChI InChI=1S/C26H19FN4O2/c27-19-10-3-2-8-17(19)22-18-9-5-7-15-12-13-31(23(15)18)26(33)24(29-22)30-25(32)21-14-16-6-1-4-11-20(16)28-21/h1-11,14,24,28H,12-13H2,(H,30,32)/t24-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Co. Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 268: 571-5 (1994) BindingDB Entry DOI: 10.7270/Q2WQ029S
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM35254 (2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8| Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human 5HT2A receptor				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127563 BindingDB Entry DOI: 10.7270/Q26113Z0
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50254124 (CHEMBL4103044) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccoc1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C28H32N2O3/c31-21-4-3-18-11-24-27-7-5-23-25(20(13-27)15-30(23)26(32)19-6-10-33-16-19)28(27,22(18)12-21)8-9-29(24)14-17-1-2-17/h3-4,6,10,12,16-17,20,23-25,31H,1-2,5,7-9,11,13-15H2/t20-,23?,24?,25?,27?,28?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.455	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human recombinant MOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50253139 (CHEMBL4096314) Show SMILES [H][C@]12CN(C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1CCc1ccccc1)C23)C(=O)c1ccccc1 |r,TLB:3:4:18:8.1,2:1:18:5.6.4,6:7:21.20.19:10.17.11,17:18:8.1:5.6.4,16:17:21.20.19:7,THB:19:18:8.1:5.6.4| Show InChI InChI=1S/C33H34N2O3/c36-25-12-11-24-19-29-33-15-13-27-30(28(38-33)21-35(27)31(37)23-9-5-2-6-10-23)32(33,26(24)20-25)16-18-34(29)17-14-22-7-3-1-4-8-22/h1-12,20,27-30,36H,13-19,21H2/t27?,28-,29?,30?,32?,33?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid UniChem Patents	Article PubMed	0.458	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum membrane				Bioorg Med Chem Lett 27: 2742-2745 (2017) Article DOI: 10.1016/j.bmcl.2017.04.059 BindingDB Entry DOI: 10.7270/Q2H134GP
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50254123 (CHEMBL4068691) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)C(=O)c1ccccn1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C29H33N3O2/c33-21-7-6-19-13-25-28-9-8-24-26(20(15-28)17-32(24)27(34)23-3-1-2-11-30-23)29(28,22(19)14-21)10-12-31(25)16-18-4-5-18/h1-3,6-7,11,14,18,20,24-26,33H,4-5,8-10,12-13,15-17H2/t20-,24?,25?,26?,28?,29?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.458	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human recombinant DOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50121732 (CHEMBL172850 | {1-[(S)-3-[N-Benzyl-N'-(3-hydroxy-2...) Show SMILES CSC[C@H](NC(=O)OCc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N(Cc1ccccc1)NC(=O)c1cccc(O)c1C Show InChI InChI=1S/C40H41N5O7S/c1-26-31(17-10-18-35(26)46)37(48)44-45(23-28-13-7-4-8-14-28)39(50)36(47)33(21-27-11-5-3-6-12-27)42-38(49)34(25-53-2)43-40(51)52-24-30-16-9-15-29-22-41-20-19-32(29)30/h3-20,22,33-34,36,46-47H,21,23-25H2,1-2H3,(H,42,49)(H,43,51)(H,44,48)/t33-,34-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against HIV-1 protease				Bioorg Med Chem Lett 13: 93-6 (2002) BindingDB Entry DOI: 10.7270/Q2N29W9D
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50254131 (CHEMBL4094845) Show SMILES [H][C@]12CN(C3CCC4(C1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23)c1cnccn1 |r,TLB:17:18:4.6.5:8.1,16:17:7:21.20.19,6:7:21.20.19:10.11.17,8:7:21.20.19:10.11.17,2:1:18:4.6.5,3:4:18:8.1,22:21:7:10.11.17,THB:12:11:7:21.20.19,19:18:4.6.5:8.1| Show InChI InChI=1S/C27H32N4O/c32-20-4-3-18-11-23-26-6-5-22-25(19(13-26)16-31(22)24-14-28-8-9-29-24)27(26,21(18)12-20)7-10-30(23)15-17-1-2-17/h3-4,8-9,12,14,17,19,22-23,25,32H,1-2,5-7,10-11,13,15-16H2/t19-,22?,23?,25?,26?,27?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.479	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Chemiphar Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from human recombinant KOR expressed in CHO cell membranes				Bioorg Med Chem Lett 27: 3495-3498 (2017) Article DOI: 10.1016/j.bmcl.2017.05.072 BindingDB Entry DOI: 10.7270/Q25H7JPK
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50547394 (CHEMBL4756254) Show SMILES C[C@H]1C=C(CCN1C)C1=Nc2cc(C)ccc2Nc2ccc(Cl)cc12 |r,c:2,t:9| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human dopamine D1 receptor				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127563 BindingDB Entry DOI: 10.7270/Q26113Z0
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50079652 ((E)-1-[(R)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(...) Show SMILES OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Adenosine A1 receptor binding using [3H]DPCPX in human cortical membranes				J Med Chem 42: 779-83 (1999) Article DOI: 10.1021/jm980671w BindingDB Entry DOI: 10.7270/Q2J105WN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50079652 ((E)-1-[(R)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(...) Show SMILES OCC[C@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1 Show InChI InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fujisawa Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Adenosine A1 receptor binding using [3H]DPCOX in rat cortical membranes				J Med Chem 42: 779-83 (1999) Article DOI: 10.1021/jm980671w BindingDB Entry DOI: 10.7270/Q2J105WN
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50209559 ((4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]am...) Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C35H41N3O6S/c1-21-11-10-12-22(2)31(21)44-19-28(40)36-26(17-23-13-6-5-7-14-23)30(41)34(43)38-20-45-35(3,4)32(38)33(42)37-29-25-16-9-8-15-24(25)18-27(29)39/h5-16,26-27,29-30,32,39,41H,17-20H2,1-4H3,(H,36,40)(H,37,42)/t26-,27+,29-,30-,32+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2				Bioorg Med Chem Lett 20: 4836-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.099 BindingDB Entry DOI: 10.7270/Q2F18ZXQ
					More data for this Ligand-Target Pair

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