Compile Data Set for Download or QSAR

Found 890 hits with Last Name = 'im' and Initial = 'ds'   

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
Prothrombin (Homo sapiens (Human))	BDBM50069294 ((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:19.21| Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 1683-6 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N5D
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069294 ((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:19.21| Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 631-4 (1999) BindingDB Entry DOI: 10.7270/Q2CR5SHR
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070780 ((S)-3-(5-Carbamimidoyl-thiophen-2-yl)-N-cyclopenty...) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](Cc1ccc(s1)C(N)=N)C(=O)N(C)C1CCCC1 Show InChI InChI=1S/C25H30N4O4S2/c1-29(18-5-3-4-6-18)25(30)22(15-20-10-12-23(34-20)24(26)27)28-35(31,32)21-11-8-16-13-19(33-2)9-7-17(16)14-21/h7-14,18,22,28H,3-6,15H2,1-2H3,(H3,26,27)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 1683-6 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N5D
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070785 ((S)-3-(5-Carbamimidoyl-thiophen-2-yl)-N-cyclopenty...) Show SMILES CCCc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(s1)C(N)=N)C(=O)N(C)C1CCCC1 Show InChI InChI=1S/C23H32N4O3S2/c1-3-6-16-9-12-19(13-10-16)32(29,30)26-20(15-18-11-14-21(31-18)22(24)25)23(28)27(2)17-7-4-5-8-17/h9-14,17,20,26H,3-8,15H2,1-2H3,(H3,24,25)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 1683-6 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N5D
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070782 ((S)-3-(4-Carbamimidoyl-phenyl)-N-cyclopentyl-N-met...) Show SMILES CCCc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C(N)=N)C(=O)N(C)C1CCCC1 Show InChI InChI=1S/C25H34N4O3S/c1-3-6-18-11-15-22(16-12-18)33(31,32)28-23(25(30)29(2)21-7-4-5-8-21)17-19-9-13-20(14-10-19)24(26)27/h9-16,21,23,28H,3-8,17H2,1-2H3,(H3,26,27)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 1683-6 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N5D
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Bos taurus)	BDBM50017712 ((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...) Show SMILES CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1 |r| Show InChI InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wichita State University Curated by ChEMBL					Assay Description Inhibition of dopamine uptake at VMAT in bovine chromaffin granule ghosts				J Med Chem 51: 760-8 (2008) Article DOI: 10.1021/jm070875p BindingDB Entry DOI: 10.7270/Q2M909J6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Bos taurus (Bovine))	BDBM50069294 ((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:19.21| Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against bovine thrombin				Bioorg Med Chem Lett 8: 631-4 (1999) BindingDB Entry DOI: 10.7270/Q2CR5SHR
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50374634 (CHEMBL258098) Show SMILES COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C23H30O8/c1-22-7-5-14-21(26)31-17(13-6-8-29-11-13)10-23(14,2)19(22)18(24)16(30-12-27-3)9-15(22)20(25)28-4/h6,8,11,14-17,19H,5,7,9-10,12H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50216132 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1Br |r| Show InChI InChI=1S/C23H27BrO8/c1-11(25)31-15-9-14(20(27)29-4)22(2)7-5-13-21(28)32-16(12-6-8-30-19(12)24)10-23(13,3)18(22)17(15)26/h6,8,13-16,18H,5,7,9-10H2,1-4H3/t13-,14-,15-,16-,18-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells				J Med Chem 50: 3596-603 (2007) Article DOI: 10.1021/jm070393d BindingDB Entry DOI: 10.7270/Q2ZK5HH0
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070784 ((S)-3-(5-Carbamimidoyl-thiophen-2-yl)-N-cyclopenty...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(s1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C24H28N4O3S2/c1-28(18-8-4-5-9-18)24(29)21(15-19-11-13-22(32-19)23(25)26)27-33(30,31)20-12-10-16-6-2-3-7-17(16)14-20/h2-3,6-7,10-14,18,21,27H,4-5,8-9,15H2,1H3,(H3,25,26)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 1683-6 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N5D
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50374645 (CHEMBL272939) Show SMILES CCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C24H32O8/c1-5-29-13-31-17-10-16(21(26)28-4)23(2)8-6-15-22(27)32-18(14-7-9-30-12-14)11-24(15,3)20(23)19(17)25/h7,9,12,15-18,20H,5-6,8,10-11,13H2,1-4H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 2 (Homo sapiens (Human))	BDBM81801 (CAS_5283121 | LTC4 | NSC_5283121) Show SMILES CCCCCC=CCC=CC=CC=CC(SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)CCCC(O)=O |w:5.4,8.7,10.9,12.11| Show InChI InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	3.35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by PDSP Ki Database									J Biol Chem 275: 30531-6 (2000) Article DOI: 10.1074/jbc.M003490200 BindingDB Entry DOI: 10.7270/Q2BP01BH
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 2 (Homo sapiens (Human))	BDBM50292408 ((R-(R*,S*-(E,E,Z,Z)))-N-(S-(1-(4-Carboxy-1-hydroxy...) Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O |r| Show InChI InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Virginia Curated by PDSP Ki Database									J Biol Chem 275: 30531-6 (2000) Article DOI: 10.1074/jbc.M003490200 BindingDB Entry DOI: 10.7270/Q2BP01BH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50371092 (CHEMBL427280) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)[C@@H]1CCOC1 Show InChI InChI=1S/C23H32O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h13-17,19H,5-11H2,1-4H3/t13-,14+,15+,16+,17+,19+,22+,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells				J Med Chem 50: 3596-603 (2007) Article DOI: 10.1021/jm070393d BindingDB Entry DOI: 10.7270/Q2ZK5HH0
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50069292 (CHEMBL156082 | N-ethyl-N-cyclopentyl-3-(4-hydrazon...) Show SMILES CCN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:20.22| Show InChI InChI=1S/C27H33N5O3S/c1-2-32(23-9-5-6-10-23)27(33)25(17-19-11-13-21(14-12-19)26(28)30-29)31-36(34,35)24-16-15-20-7-3-4-8-22(20)18-24/h3-4,7-8,11-16,18,23,25,31H,2,5-6,9-10,17,29H2,1H3,(H2,28,30)/t25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against bovine thrombin				Bioorg Med Chem Lett 8: 631-4 (1999) BindingDB Entry DOI: 10.7270/Q2CR5SHR
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Bos taurus)	BDBM50017701 (3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...) Show SMILES COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC Show InChI InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wichita State University Curated by ChEMBL					Assay Description Inhibition of dopamine uptake at VMAT in bovine chromaffin granule ghosts				J Med Chem 51: 760-8 (2008) Article DOI: 10.1021/jm070875p BindingDB Entry DOI: 10.7270/Q2M909J6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50496725 (CHEMBL3219933) Show SMILES [H][C@]1(CCCCO1)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@@]3([H])C(=O)O[C@@H](C[C@]3(C)[C@@]2([H])C1=O)c1ccoc1 |r| Show InChI InChI=1S/C26H34O8/c1-25-9-7-16-24(29)34-19(15-8-11-31-14-15)13-26(16,2)22(25)21(27)18(12-17(25)23(28)30-3)33-20-6-4-5-10-32-20/h8,11,14,16-20,22H,4-7,9-10,12-13H2,1-3H3/t16-,17-,18-,19-,20+,22-,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50496728 (CHEMBL3219937) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](O[C@H](C)OCC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C25H34O8/c1-6-31-14(2)32-18-11-17(22(27)29-5)24(3)9-7-16-23(28)33-19(15-8-10-30-13-15)12-25(16,4)21(24)20(18)26/h8,10,13-14,16-19,21H,6-7,9,11-12H2,1-5H3/t14-,16+,17+,18+,19+,21+,24+,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070783 ((S)-3-(4-Carbamimidoyl-phenyl)-N-cyclopentyl-N-met...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H30N4O3S/c1-30(22-8-4-5-9-22)26(31)24(16-18-10-12-20(13-11-18)25(27)28)29-34(32,33)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,29H,4-5,8-9,16H2,1H3,(H3,27,28)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 1683-6 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N5D
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50159168 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1CCOC1 Show InChI InChI=1S/C23H32O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h13-17,19H,5-11H2,1-4H3/t13?,14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells				J Med Chem 50: 3596-603 (2007) Article DOI: 10.1021/jm070393d BindingDB Entry DOI: 10.7270/Q2ZK5HH0
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50216133 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-((...) Show SMILES CO[C@@H]1C[C@H]([C@@H](OC)O1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 Show InChI InChI=1S/C25H36O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h13-18,20,23H,7-11H2,1-6H3/t13-,14-,15-,16-,17-,18-,20-,23-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells				J Med Chem 50: 3596-603 (2007) Article DOI: 10.1021/jm070393d BindingDB Entry DOI: 10.7270/Q2ZK5HH0
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50027234 (CHEMBL2113278) Show SMILES [H][C@]1(C[C@@]2(C)[C@@]([H])(CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]23[H])C(=O)OC)C(=O)O1)C1CC(OC)OC1OC Show InChI InChI=1S/C25H36O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h13-18,20,23H,7-11H2,1-6H3/t13?,14-,15-,16-,17-,18?,20-,23?,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells				J Med Chem 50: 3596-603 (2007) Article DOI: 10.1021/jm070393d BindingDB Entry DOI: 10.7270/Q2ZK5HH0
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50159172 ((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Formyloxy-3-furan-3-...) Show SMILES COC(=O)[C@@H]1C[C@H](OC=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C22H26O8/c1-21-6-4-13-20(26)30-16(12-5-7-28-10-12)9-22(13,2)18(21)17(24)15(29-11-23)8-14(21)19(25)27-3/h5,7,10-11,13-16,18H,4,6,8-9H2,1-3H3/t13-,14-,15-,16-,18-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50069293 (CHEMBL440188 | N-methyl-N-n-butyl-3-(4-hydrazonofo...) Show SMILES CCCCN(C)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:18.19| Show InChI InChI=1S/C25H31N5O3S/c1-3-4-15-30(2)25(31)23(16-18-9-11-20(12-10-18)24(26)28-27)29-34(32,33)22-14-13-19-7-5-6-8-21(19)17-22/h5-14,17,23,29H,3-4,15-16,27H2,1-2H3,(H2,26,28)/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against bovine thrombin				Bioorg Med Chem Lett 8: 631-4 (1999) BindingDB Entry DOI: 10.7270/Q2CR5SHR
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50374645 (CHEMBL272939) Show SMILES CCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C24H32O8/c1-5-29-13-31-17-10-16(21(26)28-4)23(2)8-6-15-22(27)32-18(14-7-9-30-12-14)11-24(15,3)20(23)19(17)25/h7,9,12,15-18,20H,5-6,8,10-11,13H2,1-4H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane after 2 hrs by liquid scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50216142 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1nc(C)no1 |r| Show InChI InChI=1S/C22H28N2O8/c1-10-23-18(32-24-10)15-9-22(4)12(20(28)31-15)6-7-21(3)13(19(27)29-5)8-14(30-11(2)25)16(26)17(21)22/h12-15,17H,6-9H2,1-5H3/t12-,13-,14-,15-,17-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells				J Med Chem 50: 3596-603 (2007) Article DOI: 10.1021/jm070393d BindingDB Entry DOI: 10.7270/Q2ZK5HH0
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50496723 (CHEMBL3219943) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OCOC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)C(=O)N1CCCCC1)C(=O)OC |r| Show InChI InChI=1S/C25H37NO8/c1-24-9-8-15-23(30)34-18(21(28)26-10-6-5-7-11-26)13-25(15,2)20(24)19(27)17(33-14-31-3)12-16(24)22(29)32-4/h15-18,20H,5-14H2,1-4H3/t15-,16-,17-,18-,20-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50496722 (CHEMBL3219935) Show SMILES [H][C@]1(CCCO1)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@@]3([H])C(=O)O[C@@H](C[C@]3(C)[C@@]2([H])C1=O)c1ccoc1 |r| Show InChI InChI=1S/C25H32O8/c1-24-8-6-15-23(28)33-18(14-7-10-30-13-14)12-25(15,2)21(24)20(26)17(11-16(24)22(27)29-3)32-19-5-4-9-31-19/h7,10,13,15-19,21H,4-6,8-9,11-12H2,1-3H3/t15-,16-,17-,18-,19+,21-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50496720 (CHEMBL3219936) Show SMILES [H][C@@]1(CCCO1)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@@]3([H])C(=O)O[C@@H](C[C@]3(C)[C@@]2([H])C1=O)c1ccoc1 |r| Show InChI InChI=1S/C25H32O8/c1-24-8-6-15-23(28)33-18(14-7-10-30-13-14)12-25(15,2)21(24)20(26)17(11-16(24)22(27)29-3)32-19-5-4-9-31-19/h7,10,13,15-19,21H,4-6,8-9,11-12H2,1-3H3/t15-,16-,17-,18-,19-,21-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50070781 (1N-cyclopentyl-1N-methyl-3-[5-amino(aminoimino)met...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(s1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:18.20| Show InChI InChI=1S/C24H29N5O3S2/c1-29(18-8-4-5-9-18)24(30)21(15-19-11-13-22(33-19)23(25)27-26)28-34(31,32)20-12-10-16-6-2-3-7-17(16)14-20/h2-3,6-7,10-14,18,21,28H,4-5,8-9,15,26H2,1H3,(H2,25,27)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against human thrombin				Bioorg Med Chem Lett 8: 1683-6 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N5D
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50069296 (CHEMBL347371 | N-(n-propyl)-N-cyclopentyl-3-(4-hyd...) Show SMILES CCCN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:21.23| Show InChI InChI=1S/C28H35N5O3S/c1-2-17-33(24-9-5-6-10-24)28(34)26(18-20-11-13-22(14-12-20)27(29)31-30)32-37(35,36)25-16-15-21-7-3-4-8-23(21)19-25/h3-4,7-8,11-16,19,24,26,32H,2,5-6,9-10,17-18,30H2,1H3,(H2,29,31)/t26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against bovine thrombin				Bioorg Med Chem Lett 8: 631-4 (1999) BindingDB Entry DOI: 10.7270/Q2CR5SHR
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50216136 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-((...) Show SMILES CO[C@@H]1C[C@H]([C@H](OC)O1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 Show InChI InChI=1S/C25H36O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h13-18,20,23H,7-11H2,1-6H3/t13-,14-,15-,16-,17-,18-,20-,23+,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells				J Med Chem 50: 3596-603 (2007) Article DOI: 10.1021/jm070393d BindingDB Entry DOI: 10.7270/Q2ZK5HH0
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50070780 ((S)-3-(5-Carbamimidoyl-thiophen-2-yl)-N-cyclopenty...) Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](Cc1ccc(s1)C(N)=N)C(=O)N(C)C1CCCC1 Show InChI InChI=1S/C25H30N4O4S2/c1-29(18-5-3-4-6-18)25(30)22(15-20-10-12-23(34-20)24(26)27)28-35(31,32)21-11-8-16-13-19(33-2)9-7-17(16)14-21/h7-14,18,22,28H,3-6,15H2,1-2H3,(H3,26,27)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	134	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against bovine trypsin				Bioorg Med Chem Lett 8: 1683-6 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N5D
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50496731 (CHEMBL3219944) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)C(=O)N1CCCCC1)C(=O)OC |r| Show InChI InChI=1S/C25H35NO8/c1-14(27)33-17-12-16(22(30)32-4)24(2)9-8-15-23(31)34-18(13-25(15,3)20(24)19(17)28)21(29)26-10-6-5-7-11-26/h15-18,20H,5-13H2,1-4H3/t15-,16-,17-,18-,20-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50070785 ((S)-3-(5-Carbamimidoyl-thiophen-2-yl)-N-cyclopenty...) Show SMILES CCCc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(s1)C(N)=N)C(=O)N(C)C1CCCC1 Show InChI InChI=1S/C23H32N4O3S2/c1-3-6-16-9-12-19(13-10-16)32(29,30)26-20(15-18-11-14-21(31-18)22(24)25)23(28)27(2)17-7-4-5-8-17/h9-14,17,20,26H,3-8,15H2,1-2H3,(H3,24,25)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against bovine trypsin				Bioorg Med Chem Lett 8: 1683-6 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N5D
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50069298 (CHEMBL434678 | N-methyl-N-cyclohexyl-3-(4-hydrazon...) Show SMILES CN(C1CCCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:20.22| Show InChI InChI=1S/C27H33N5O3S/c1-32(23-9-3-2-4-10-23)27(33)25(17-19-11-13-21(14-12-19)26(28)30-29)31-36(34,35)24-16-15-20-7-5-6-8-22(20)18-24/h5-8,11-16,18,23,25,31H,2-4,9-10,17,29H2,1H3,(H2,28,30)/t25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against bovine thrombin				Bioorg Med Chem Lett 8: 631-4 (1999) BindingDB Entry DOI: 10.7270/Q2CR5SHR
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50070784 ((S)-3-(5-Carbamimidoyl-thiophen-2-yl)-N-cyclopenty...) Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(s1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C24H28N4O3S2/c1-28(18-8-4-5-9-18)24(29)21(15-19-11-13-22(32-19)23(25)26)27-33(30,31)20-12-10-16-6-2-3-7-17(16)14-20/h2-3,6-7,10-14,18,21,27H,4-5,8-9,15H2,1H3,(H3,25,26)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	153	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against bovine trypsin				Bioorg Med Chem Lett 8: 1683-6 (1999) BindingDB Entry DOI: 10.7270/Q2BG2N5D
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50496721 (CHEMBL3219941) Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)OCC)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r| Show InChI InChI=1S/C24H30O9/c1-5-31-22(28)33-16-10-15(20(26)29-4)23(2)8-6-14-21(27)32-17(13-7-9-30-12-13)11-24(14,3)19(23)18(16)25/h7,9,12,14-17,19H,5-6,8,10-11H2,1-4H3/t14-,15-,16-,17-,19-,23-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	171	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50216134 ((4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-((2R,...) Show SMILES CO[C@H]1O[C@@H](OC)C(=C1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |c:7| Show InChI InChI=1S/C25H34O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h9,14-18,20,23H,7-8,10-11H2,1-6H3/t14-,15-,16-,17-,18-,20-,23+,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells				J Med Chem 50: 3596-603 (2007) Article DOI: 10.1021/jm070393d BindingDB Entry DOI: 10.7270/Q2ZK5HH0
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50069299 (CHEMBL155317 | N-(n-butyl)-N-cyclopentyl-3-(4-hydr...) Show SMILES CCCCN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:22.24| Show InChI InChI=1S/C29H37N5O3S/c1-2-3-18-34(25-10-6-7-11-25)29(35)27(19-21-12-14-23(15-13-21)28(30)32-31)33-38(36,37)26-17-16-22-8-4-5-9-24(22)20-26/h4-5,8-9,12-17,20,25,27,33H,2-3,6-7,10-11,18-19,31H2,1H3,(H2,30,32)/t27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	231	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against bovine thrombin				Bioorg Med Chem Lett 8: 631-4 (1999) BindingDB Entry DOI: 10.7270/Q2CR5SHR
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50069295 (CHEMBL348175 | N-methyl-N-cyclopropyl-3-(4-hydrazo...) Show SMILES CN(C1CC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:17.19| Show InChI InChI=1S/C24H27N5O3S/c1-29(20-11-12-20)24(30)22(14-16-6-8-18(9-7-16)23(25)27-26)28-33(31,32)21-13-10-17-4-2-3-5-19(17)15-21/h2-10,13,15,20,22,28H,11-12,14,26H2,1H3,(H2,25,27)/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	247	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against bovine thrombin				Bioorg Med Chem Lett 8: 631-4 (1999) BindingDB Entry DOI: 10.7270/Q2CR5SHR
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50189136 (CHEMBL424698 | Salvinorin B) Show SMILES COC(=O)[C@@H]1C[C@H](O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 Show InChI InChI=1S/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells				J Med Chem 50: 3596-603 (2007) Article DOI: 10.1021/jm070393d BindingDB Entry DOI: 10.7270/Q2ZK5HH0
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50496729 (CHEMBL3219934) Show SMILES [H][C@@]1(CCCCO1)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@@]3([H])C(=O)O[C@@H](C[C@]3(C)[C@@]2([H])C1=O)c1ccoc1 |r| Show InChI InChI=1S/C26H34O8/c1-25-9-7-16-24(29)34-19(15-8-11-31-14-15)13-26(16,2)22(25)21(27)18(12-17(25)23(28)30-3)33-20-6-4-5-10-32-20/h8,11,14,16-20,22H,4-7,9-10,12-13H2,1-3H3/t16-,17-,18-,19-,20-,22-,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane after 2 hrs by scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50216143 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(4...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=NCCO1 |t:29| Show InChI InChI=1S/C22H29NO8/c1-11(24)30-14-9-13(19(26)28-4)21(2)6-5-12-20(27)31-15(18-23-7-8-29-18)10-22(12,3)17(21)16(14)25/h12-15,17H,5-10H2,1-4H3/t12-,13-,14-,15-,17-,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells				J Med Chem 50: 3596-603 (2007) Article DOI: 10.1021/jm070393d BindingDB Entry DOI: 10.7270/Q2ZK5HH0
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50069300 (CHEMBL350901 | N-hydroxy-N-cyclopentyl-3-(4-hydraz...) Show SMILES NN=C(N)c1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(O)C2CCCC2)cc1 |w:1.0| Show InChI InChI=1S/C25H29N5O4S/c26-24(28-27)19-11-9-17(10-12-19)15-23(25(31)30(32)21-7-3-4-8-21)29-35(33,34)22-14-13-18-5-1-2-6-20(18)16-22/h1-2,5-6,9-14,16,21,23,29,32H,3-4,7-8,15,27H2,(H2,26,28)/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	367	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biotech Research Institute Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against bovine thrombin				Bioorg Med Chem Lett 8: 631-4 (1999) BindingDB Entry DOI: 10.7270/Q2CR5SHR
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50374634 (CHEMBL258098) Show SMILES COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1 Show InChI InChI=1S/C23H30O8/c1-22-7-5-14-21(26)31-17(13-6-8-29-11-13)10-23(14,2)19(22)18(24)16(30-12-27-3)9-15(22)20(25)28-4/h6,8,11,14-17,19H,5,7,9-10,12H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane after 2 hrs by liquid scintillation counting analysis				Medchemcomm 2: 1217-1222 (2011) Article DOI: 10.1039/c1md00192b BindingDB Entry DOI: 10.7270/Q22F7RF9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50027232 (Salvinicin A) Show SMILES [H][C@]1(C[C@@]2(C)[C@@]([H])(CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]23[H])C(=O)OC)C(=O)O1)[C@@]1(O)[C@H](O)[C@@H](OC)O[C@H]1OC |r| Show InChI InChI=1S/C25H36O12/c1-11(26)35-14-9-13(19(29)32-4)23(2)8-7-12-20(30)36-15(10-24(12,3)17(23)16(14)27)25(31)18(28)21(33-5)37-22(25)34-6/h12-15,17-18,21-22,28,31H,7-10H2,1-6H3/t12-,13-,14-,15-,17-,18+,21-,22+,23-,24-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells				J Med Chem 50: 3596-603 (2007) Article DOI: 10.1021/jm070393d BindingDB Entry DOI: 10.7270/Q2ZK5HH0
					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Bos taurus)	BDBM50374536 (CHEMBL272202) Show SMILES Oc1cccc(c1)-c1cc[n+](CC(=C)c2ccc(I)cc2)cc1 Show InChI InChI=1S/C20H16INO/c1-15(16-5-7-19(21)8-6-16)14-22-11-9-17(10-12-22)18-3-2-4-20(23)13-18/h2-13H,1,14H2/p+1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wichita State University Curated by ChEMBL					Assay Description Inhibition of dopamine uptake at VMAT in bovine chromaffin granule ghosts				J Med Chem 51: 760-8 (2008) Article DOI: 10.1021/jm070875p BindingDB Entry DOI: 10.7270/Q2M909J6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50216139 ((4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-((2S,...) Show SMILES CO[C@H]1O[C@H](OC)C(=C1)[C@@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@H]23)C(=O)OC)C(=O)O1 |c:7| Show InChI InChI=1S/C25H34O10/c1-12(26)33-16-10-15(21(28)31-5)24(2)8-7-14-22(29)34-17(11-25(14,3)20(24)19(16)27)13-9-18(30-4)35-23(13)32-6/h9,14-18,20,23H,7-8,10-11H2,1-6H3/t14-,15-,16-,17-,18-,20-,23-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cells				J Med Chem 50: 3596-603 (2007) Article DOI: 10.1021/jm070393d BindingDB Entry DOI: 10.7270/Q2ZK5HH0
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50216142 ((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...) Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1nc(C)no1 |r| Show InChI InChI=1S/C22H28N2O8/c1-10-23-18(32-24-10)15-9-22(4)12(20(28)31-15)6-7-21(3)13(19(27)29-5)8-14(30-11(2)25)16(26)17(21)22/h12-15,17H,6-9H2,1-5H3/t12-,13-,14-,15-,17-,21-,22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay				J Med Chem 50: 3596-603 (2007) Article DOI: 10.1021/jm070393d BindingDB Entry DOI: 10.7270/Q2ZK5HH0
					More data for this Ligand-Target Pair

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