Compile Data Set for Download or QSAR

Found 345 hits with Last Name = 'chiba' and Initial = 's'   

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
Type-1 angiotensin II receptor A (RAT)	BDBM50240609 (2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...) Show SMILES CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shinshu University Curated by PDSP Ki Database									Fundam Clin Pharmacol 16: 317-23 (2002) Article DOI: 10.1046/j.1472-8206.2002.00076.x BindingDB Entry DOI: 10.7270/Q2697259
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50240609 (2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...) Show SMILES CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shinshu University Curated by PDSP Ki Database									Fundam Clin Pharmacol 16: 317-23 (2002) Article DOI: 10.1046/j.1472-8206.2002.00076.x BindingDB Entry DOI: 10.7270/Q2697259
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50240609 (2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...) Show SMILES CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG 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
Shinshu University Curated by PDSP Ki Database									Fundam Clin Pharmacol 16: 317-23 (2002) Article DOI: 10.1046/j.1472-8206.2002.00076.x BindingDB Entry DOI: 10.7270/Q2697259
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM82077 (Angiotensin II | CAS_11128-99-7 | NSC_439662) Show SMILES CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(O)=O)C(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(C)=O |(1.13,.52,;1.58,1.99,;.53,3.12,;-.97,2.77,;.98,4.59,;2.48,4.94,;3.54,3.81,;3.08,2.34,;5.04,4.16,;5.49,5.63,;4.44,6.76,;2.93,6.41,;1.88,7.54,;2.33,9.01,;1.28,10.14,;3.84,9.36,;4.89,8.23,;6.09,3.03,;7.59,3.38,;8.04,4.85,;8.64,2.25,;10.14,2.6,;11.19,1.47,;10.74,-0,;12.69,1.82,;13.74,.69,;13.29,-.78,;14.34,-1.91,;13.89,-3.38,;12.39,-3.73,;11.94,-5.2,;11.34,-2.6,;13.14,3.29,;14.64,3.64,;15.69,2.51,;15.09,5.11,;14.04,6.24,;16.59,5.46,;17.04,6.93,;15.99,8.06,;18.54,7.28,;8.19,.78,;9.24,-.35,;6.69,.43,;-.07,5.72,;.38,7.19,;-1.57,5.37,;-2.62,6.5,;-2.17,7.97,;-3.22,9.1,;-2.92,10.61,;-4.27,11.35,;-5.4,10.3,;-4.75,8.91,;-4.12,6.15,;-4.57,4.68,;-5.17,7.28,;-6.67,6.93,;-6.64,5.39,;-7.96,4.6,;-9.38,5.2,;-10.39,4.04,;-9.6,2.72,;-8.1,3.06,;-7.72,8.06,;-7.27,9.53,;-9.22,7.71,;-10.38,8.72,;-11.7,7.93,;-11.36,6.43,;-9.82,6.29,;-10.42,4.87,;-10.87,3.4,;-11.95,4.69,;-12.55,3.27,;-14.08,3.08,;-14.68,1.66,;-13.76,.43,;-14.36,-.98,;-15.89,-1.17,;-16.81,.06,;-16.21,1.48,;-11.63,2.04,;-10.1,2.23,;-12.23,.62,)| Show InChI InChI=1S/C57H80N16O12/c1-6-32(4)48(72-52(81)42(23-35-16-18-38(75)19-17-35)68-54(83)47(31(2)3)71-50(79)40(14-10-20-63-57(59)60)66-49(78)39(58)26-46(76)77)55(84)69-43(24-36-27-61-29-64-36)51(80)70-44(25-37-28-62-30-65-37)56(85)73-21-11-15-45(73)53(82)67-41(33(5)74)22-34-12-8-7-9-13-34/h7-9,12-13,16-19,27-32,39-45,47-48,75H,6,10-11,14-15,20-26,58H2,1-5H3,(H,61,64)(H,62,65)(H,66,78)(H,67,82)(H,68,83)(H,69,84)(H,70,80)(H,71,79)(H,72,81)(H,76,77)(H4,59,60,63)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shinshu University Curated by PDSP Ki Database									Fundam Clin Pharmacol 16: 317-23 (2002) Article DOI: 10.1046/j.1472-8206.2002.00076.x BindingDB Entry DOI: 10.7270/Q2697259
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM82077 (Angiotensin II | CAS_11128-99-7 | NSC_439662) Show SMILES CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(O)=O)C(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(C)=O |(1.13,.52,;1.58,1.99,;.53,3.12,;-.97,2.77,;.98,4.59,;2.48,4.94,;3.54,3.81,;3.08,2.34,;5.04,4.16,;5.49,5.63,;4.44,6.76,;2.93,6.41,;1.88,7.54,;2.33,9.01,;1.28,10.14,;3.84,9.36,;4.89,8.23,;6.09,3.03,;7.59,3.38,;8.04,4.85,;8.64,2.25,;10.14,2.6,;11.19,1.47,;10.74,-0,;12.69,1.82,;13.74,.69,;13.29,-.78,;14.34,-1.91,;13.89,-3.38,;12.39,-3.73,;11.94,-5.2,;11.34,-2.6,;13.14,3.29,;14.64,3.64,;15.69,2.51,;15.09,5.11,;14.04,6.24,;16.59,5.46,;17.04,6.93,;15.99,8.06,;18.54,7.28,;8.19,.78,;9.24,-.35,;6.69,.43,;-.07,5.72,;.38,7.19,;-1.57,5.37,;-2.62,6.5,;-2.17,7.97,;-3.22,9.1,;-2.92,10.61,;-4.27,11.35,;-5.4,10.3,;-4.75,8.91,;-4.12,6.15,;-4.57,4.68,;-5.17,7.28,;-6.67,6.93,;-6.64,5.39,;-7.96,4.6,;-9.38,5.2,;-10.39,4.04,;-9.6,2.72,;-8.1,3.06,;-7.72,8.06,;-7.27,9.53,;-9.22,7.71,;-10.38,8.72,;-11.7,7.93,;-11.36,6.43,;-9.82,6.29,;-10.42,4.87,;-10.87,3.4,;-11.95,4.69,;-12.55,3.27,;-14.08,3.08,;-14.68,1.66,;-13.76,.43,;-14.36,-.98,;-15.89,-1.17,;-16.81,.06,;-16.21,1.48,;-11.63,2.04,;-10.1,2.23,;-12.23,.62,)| Show InChI InChI=1S/C57H80N16O12/c1-6-32(4)48(72-52(81)42(23-35-16-18-38(75)19-17-35)68-54(83)47(31(2)3)71-50(79)40(14-10-20-63-57(59)60)66-49(78)39(58)26-46(76)77)55(84)69-43(24-36-27-61-29-64-36)51(80)70-44(25-37-28-62-30-65-37)56(85)73-21-11-15-45(73)53(82)67-41(33(5)74)22-34-12-8-7-9-13-34/h7-9,12-13,16-19,27-32,39-45,47-48,75H,6,10-11,14-15,20-26,58H2,1-5H3,(H,61,64)(H,62,65)(H,66,78)(H,67,82)(H,68,83)(H,69,84)(H,70,80)(H,71,79)(H,72,81)(H,76,77)(H4,59,60,63)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shinshu University Curated by PDSP Ki Database									Fundam Clin Pharmacol 16: 317-23 (2002) Article DOI: 10.1046/j.1472-8206.2002.00076.x BindingDB Entry DOI: 10.7270/Q2697259
					More data for this Ligand-Target Pair
Type-2 angiotensin II receptor (RAT)	BDBM82077 (Angiotensin II | CAS_11128-99-7 | NSC_439662) Show SMILES CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(O)=O)C(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(C)=O |(1.13,.52,;1.58,1.99,;.53,3.12,;-.97,2.77,;.98,4.59,;2.48,4.94,;3.54,3.81,;3.08,2.34,;5.04,4.16,;5.49,5.63,;4.44,6.76,;2.93,6.41,;1.88,7.54,;2.33,9.01,;1.28,10.14,;3.84,9.36,;4.89,8.23,;6.09,3.03,;7.59,3.38,;8.04,4.85,;8.64,2.25,;10.14,2.6,;11.19,1.47,;10.74,-0,;12.69,1.82,;13.74,.69,;13.29,-.78,;14.34,-1.91,;13.89,-3.38,;12.39,-3.73,;11.94,-5.2,;11.34,-2.6,;13.14,3.29,;14.64,3.64,;15.69,2.51,;15.09,5.11,;14.04,6.24,;16.59,5.46,;17.04,6.93,;15.99,8.06,;18.54,7.28,;8.19,.78,;9.24,-.35,;6.69,.43,;-.07,5.72,;.38,7.19,;-1.57,5.37,;-2.62,6.5,;-2.17,7.97,;-3.22,9.1,;-2.92,10.61,;-4.27,11.35,;-5.4,10.3,;-4.75,8.91,;-4.12,6.15,;-4.57,4.68,;-5.17,7.28,;-6.67,6.93,;-6.64,5.39,;-7.96,4.6,;-9.38,5.2,;-10.39,4.04,;-9.6,2.72,;-8.1,3.06,;-7.72,8.06,;-7.27,9.53,;-9.22,7.71,;-10.38,8.72,;-11.7,7.93,;-11.36,6.43,;-9.82,6.29,;-10.42,4.87,;-10.87,3.4,;-11.95,4.69,;-12.55,3.27,;-14.08,3.08,;-14.68,1.66,;-13.76,.43,;-14.36,-.98,;-15.89,-1.17,;-16.81,.06,;-16.21,1.48,;-11.63,2.04,;-10.1,2.23,;-12.23,.62,)| Show InChI InChI=1S/C57H80N16O12/c1-6-32(4)48(72-52(81)42(23-35-16-18-38(75)19-17-35)68-54(83)47(31(2)3)71-50(79)40(14-10-20-63-57(59)60)66-49(78)39(58)26-46(76)77)55(84)69-43(24-36-27-61-29-64-36)51(80)70-44(25-37-28-62-30-65-37)56(85)73-21-11-15-45(73)53(82)67-41(33(5)74)22-34-12-8-7-9-13-34/h7-9,12-13,16-19,27-32,39-45,47-48,75H,6,10-11,14-15,20-26,58H2,1-5H3,(H,61,64)(H,62,65)(H,66,78)(H,67,82)(H,68,83)(H,69,84)(H,70,80)(H,71,79)(H,72,81)(H,76,77)(H4,59,60,63)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shinshu University Curated by PDSP Ki Database									Fundam Clin Pharmacol 16: 317-23 (2002) Article DOI: 10.1046/j.1472-8206.2002.00076.x BindingDB Entry DOI: 10.7270/Q2697259
					More data for this Ligand-Target Pair
Type-2 angiotensin II receptor (RAT)	BDBM86060 (CAS_123794 | CGP 42112 | NSC_123794) Show SMILES CCC(C)C(NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCCNC(=O)C(CCCN=C(N)N)NC(=O)OCc1ccccc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccnc1)C(O)=O |(27.48,-27.05,;26.03,-27.58,;24.85,-26.6,;25.11,-25.08,;23.4,-27.13,;22.22,-26.15,;20.78,-26.68,;20.51,-28.19,;19.59,-25.69,;19.69,-24.16,;18.26,-23.58,;17.28,-24.77,;18.1,-26.07,;17.53,-27.5,;18.48,-28.71,;16,-27.72,;15.43,-29.15,;16.39,-30.36,;15.97,-31.84,;17.25,-32.7,;18.46,-31.75,;17.92,-30.3,;15.05,-26.51,;13.53,-26.73,;12.96,-28.16,;12.57,-25.52,;11.05,-25.74,;10.1,-24.53,;8.57,-24.75,;7.62,-23.54,;6.1,-23.76,;5.14,-22.55,;5.72,-21.12,;3.62,-22.77,;3.05,-24.2,;4,-25.41,;3.43,-26.84,;4.38,-28.05,;5.91,-27.83,;6.86,-29.04,;6.48,-26.4,;2.67,-21.56,;1.14,-21.78,;.57,-23.21,;.19,-20.57,;-1.33,-20.79,;-2.29,-19.58,;-3.81,-19.8,;-4.76,-18.59,;-4.19,-17.16,;-2.67,-16.94,;-1.71,-18.15,;13.15,-24.09,;14.67,-23.87,;15.62,-25.08,;15.24,-22.44,;14.29,-21.23,;12.77,-21.45,;12.19,-22.88,;10.67,-23.1,;9.72,-21.89,;8.19,-22.11,;10.29,-20.46,;11.81,-20.24,;16.77,-22.22,;17.34,-20.79,;16.39,-19.58,;18.86,-20.57,;19.81,-21.78,;21.34,-21.56,;21.91,-20.13,;20.96,-18.92,;19.43,-19.14,;23.14,-28.65,;24.33,-29.63,;21.7,-29.18,)| Show InChI InChI=1S/C52H69N13O11/c1-3-32(2)43(50(73)74)64-48(71)42-17-11-25-65(42)49(72)41(27-36-29-56-31-59-36)62-46(69)39(60-47(70)40(26-33-18-20-37(66)21-19-33)61-44(67)35-14-9-22-55-28-35)15-7-8-23-57-45(68)38(16-10-24-58-51(53)54)63-52(75)76-30-34-12-5-4-6-13-34/h4-6,9,12-14,18-22,28-29,31-32,38-43,66H,3,7-8,10-11,15-17,23-27,30H2,1-2H3,(H,56,59)(H,57,68)(H,60,70)(H,61,67)(H,62,69)(H,63,75)(H,64,71)(H,73,74)(H4,53,54,58)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shinshu University Curated by PDSP Ki Database									Fundam Clin Pharmacol 16: 317-23 (2002) Article DOI: 10.1046/j.1472-8206.2002.00076.x BindingDB Entry DOI: 10.7270/Q2697259
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50006909 (2-Butyl-5-chloro-3-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shinshu University Curated by PDSP Ki Database									Fundam Clin Pharmacol 16: 317-23 (2002) Article DOI: 10.1046/j.1472-8206.2002.00076.x BindingDB Entry DOI: 10.7270/Q2697259
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50006909 (2-Butyl-5-chloro-3-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shinshu University Curated by PDSP Ki Database									Fundam Clin Pharmacol 16: 317-23 (2002) Article DOI: 10.1046/j.1472-8206.2002.00076.x BindingDB Entry DOI: 10.7270/Q2697259
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50287290 (CHEMBL34866 | KRH-594 | Potassium; 2-[5-ethyl-3-[2...) Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)C2=C(CCC2)C([O-])=O)s1 |w:24.27,t:30| Show InChI InChI=1S/C25H23N7O3S/c1-2-21-29-32(25(36-21)26-23(33)19-8-5-9-20(19)24(34)35)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-30-31-28-22/h3-4,6-7,10-13H,2,5,8-9,14H2,1H3,(H,34,35)(H,27,28,30,31)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shinshu University Curated by PDSP Ki Database									Fundam Clin Pharmacol 16: 317-23 (2002) Article DOI: 10.1046/j.1472-8206.2002.00076.x BindingDB Entry DOI: 10.7270/Q2697259
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50010542 (2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...) Show SMILES CNC(Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)NC(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NC(CC(C)C)C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CC(C)C)C(N)=O Show InChI InChI=1S/C47H74N16O11/c1-26(2)20-34(40(48)67)61-43(70)33(9-7-19-55-47(51)52)59-42(69)32(8-6-18-54-46(49)50)60-44(71)36(21-27(3)4)62-45(72)37(23-28-10-14-30(15-11-28)63(73)74)58-39(66)25-56-38(65)24-57-41(68)35(53-5)22-29-12-16-31(64)17-13-29/h10-17,26-27,32-37,53H,6-9,18-25H2,1-5H3,(H18,48,49,50,51,52,54,55,56,57,58,59,60,61,62,64,65,66,67,68,69,70,71,72)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays...				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50010532 (13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...) Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1 Show InChI InChI=1S/C47H73N15O9S2/c1-5-53-40(66)33(21-27(2)3)59-44(70)37(14-10-20-55-47(51)52)62(4)45(71)32(13-9-19-54-46(49)50)58-43(69)36-26-73-72-25-35(60-39(65)31(48)22-29-15-17-30(63)18-16-29)41(67)56-24-38(64)57-34(42(68)61-36)23-28-11-7-6-8-12-28/h6-8,11-12,15-18,27,31-37,63H,5,9-10,13-14,19-26,48H2,1-4H3,(H,53,66)(H,56,67)(H,57,64)(H,58,69)(H,59,70)(H,60,65)(H,61,68)(H4,49,50,54)(H4,51,52,55)/t31-,32-,33-,34+,35-,36+,37-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays.				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50006909 (2-Butyl-5-chloro-3-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shinshu University Curated by PDSP Ki Database									Fundam Clin Pharmacol 16: 317-23 (2002) Article DOI: 10.1046/j.1472-8206.2002.00076.x BindingDB Entry DOI: 10.7270/Q2697259
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50010542 (2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...) Show SMILES CNC(Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)NC(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NC(CC(C)C)C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CC(C)C)C(N)=O Show InChI InChI=1S/C47H74N16O11/c1-26(2)20-34(40(48)67)61-43(70)33(9-7-19-55-47(51)52)59-42(69)32(8-6-18-54-46(49)50)60-44(71)36(21-27(3)4)62-45(72)37(23-28-10-14-30(15-11-28)63(73)74)58-39(66)25-56-38(65)24-57-41(68)35(53-5)22-29-12-16-31(64)17-13-29/h10-17,26-27,32-37,53H,6-9,18-25H2,1-5H3,(H18,48,49,50,51,52,54,55,56,57,58,59,60,61,62,64,65,66,67,68,69,70,71,72)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays.				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50287290 (CHEMBL34866 | KRH-594 | Potassium; 2-[5-ethyl-3-[2...) Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)C2=C(CCC2)C([O-])=O)s1 |w:24.27,t:30| Show InChI InChI=1S/C25H23N7O3S/c1-2-21-29-32(25(36-21)26-23(33)19-8-5-9-20(19)24(34)35)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-30-31-28-22/h3-4,6-7,10-13H,2,5,8-9,14H2,1H3,(H,34,35)(H,27,28,30,31)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shinshu University Curated by PDSP Ki Database									Fundam Clin Pharmacol 16: 317-23 (2002) Article DOI: 10.1046/j.1472-8206.2002.00076.x BindingDB Entry DOI: 10.7270/Q2697259
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50010538 (2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C46H73N15O9/c1-5-27(4)38(39(48)65)61-42(68)33(14-10-20-54-46(51)52)58-41(67)32(13-9-19-53-45(49)50)59-43(69)34(21-26(2)3)60-44(70)35(23-28-11-7-6-8-12-28)57-37(64)25-55-36(63)24-56-40(66)31(47)22-29-15-17-30(62)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,62H,5,9-10,13-14,19-25,47H2,1-4H3,(H2,48,65)(H,55,63)(H,56,66)(H,57,64)(H,58,67)(H,59,69)(H,60,70)(H,61,68)(H4,49,50,53)(H4,51,52,54)/t27-,31-,32-,33-,34-,35+,38-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays...				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50287290 (CHEMBL34866 | KRH-594 | Potassium; 2-[5-ethyl-3-[2...) Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)C2=C(CCC2)C([O-])=O)s1 |w:24.27,t:30| Show InChI InChI=1S/C25H23N7O3S/c1-2-21-29-32(25(36-21)26-23(33)19-8-5-9-20(19)24(34)35)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-30-31-28-22/h3-4,6-7,10-13H,2,5,8-9,14H2,1H3,(H,34,35)(H,27,28,30,31)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shinshu University Curated by PDSP Ki Database									Fundam Clin Pharmacol 16: 317-23 (2002) Article DOI: 10.1046/j.1472-8206.2002.00076.x BindingDB Entry DOI: 10.7270/Q2697259
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50010537 (2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...) Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-27(2)22-35(40(49)66)62-43(69)34(15-11-21-56-48(52)53)60-42(68)33(14-10-20-55-47(50)51)61-45(71)37(23-28(3)4)63-46(72)38(25-30-12-8-7-9-13-30)59-39(65)26-57-41(67)29(5)58-44(70)36(54-6)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,27-29,33-38,54,64H,10-11,14-15,20-26H2,1-6H3,(H2,49,66)(H,57,67)(H,58,70)(H,59,65)(H,60,68)(H,61,71)(H,62,69)(H,63,72)(H4,50,51,55)(H4,52,53,56)/t29-,33-,34-,35-,36-,37-,38-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays.				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50010535 (2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...) Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-34(41(49)67)61-45(71)38(15-11-21-56-48(52)53)63(6)46(72)33(14-10-20-55-47(50)51)60-43(69)36(23-29(3)4)62-44(70)37(25-30-12-8-7-9-13-30)59-40(66)27-57-39(65)26-58-42(68)35(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37+,38-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays...				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50010536 (2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...) Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-34(40(48)66)61-43(69)33(14-10-20-55-47(51)52)59-42(68)32(13-9-19-54-46(49)50)60-44(70)36(22-28(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-39(65)26-56-38(64)25-57-41(67)35(53-5)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,53,63H,9-10,13-14,19-26H2,1-5H3,(H2,48,66)(H,56,64)(H,57,67)(H,58,65)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,49,50,54)(H4,51,52,55)/t32-,33-,34-,35-,36-,37+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays...				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50010532 (13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...) Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1 Show InChI InChI=1S/C47H73N15O9S2/c1-5-53-40(66)33(21-27(2)3)59-44(70)37(14-10-20-55-47(51)52)62(4)45(71)32(13-9-19-54-46(49)50)58-43(69)36-26-73-72-25-35(60-39(65)31(48)22-29-15-17-30(63)18-16-29)41(67)56-24-38(64)57-34(42(68)61-36)23-28-11-7-6-8-12-28/h6-8,11-12,15-18,27,31-37,63H,5,9-10,13-14,19-26,48H2,1-4H3,(H,53,66)(H,56,67)(H,57,64)(H,58,69)(H,59,70)(H,60,65)(H,61,68)(H4,49,50,54)(H4,51,52,55)/t31-,32-,33-,34+,35-,36+,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays.				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50010545 (2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...) Show SMILES CCNC(=O)C(CC(C)C)NC(=O)C(CCC[N-]C(N)=[NH2+])N(C)C(=O)C(CCC[N-]C(N)=[NH2+])NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC Show InChI InChI=1S/C50H80N16O11/c1-8-56-44(71)37(23-29(2)3)64-47(74)40(12-10-22-58-50(53)54)65(7)48(75)35(11-9-21-57-49(51)52)62-45(72)38(24-30(4)5)63-46(73)39(26-31-13-17-33(18-14-31)66(76)77)61-42(69)28-59-41(68)27-60-43(70)36(55-6)25-32-15-19-34(67)20-16-32/h13-20,29-30,35-40,55H,8-12,21-28H2,1-7H3,(H16,51,52,53,54,56,57,58,59,60,61,62,63,64,67,68,69,70,71,72,73,74)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI)				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50010534 (2-[2-(2-{2-[3-(4-Hydroxy-phenyl)-2-methylamino-pro...) Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC Show InChI InChI=1S/C50H81N15O9/c1-8-56-44(70)37(24-30(2)3)64-47(73)40(17-13-23-58-50(53)54)65(7)48(74)35(16-12-22-57-49(51)52)62-45(71)38(25-31(4)5)63-46(72)39(27-32-14-10-9-11-15-32)61-42(68)29-59-41(67)28-60-43(69)36(55-6)26-33-18-20-34(66)21-19-33/h9-11,14-15,18-21,30-31,35-40,55,66H,8,12-13,16-17,22-29H2,1-7H3,(H,56,70)(H,59,67)(H,60,69)(H,61,68)(H,62,71)(H,63,72)(H,64,73)(H4,51,52,57)(H4,53,54,58)/t35-,36-,37-,38-,39+,40-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays...				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50010536 (2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...) Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-34(40(48)66)61-43(69)33(14-10-20-55-47(51)52)59-42(68)32(13-9-19-54-46(49)50)60-44(70)36(22-28(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-39(65)26-56-38(64)25-57-41(67)35(53-5)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,53,63H,9-10,13-14,19-26H2,1-5H3,(H2,48,66)(H,56,64)(H,57,67)(H,58,65)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,49,50,54)(H4,51,52,55)/t32-,33-,34-,35-,36-,37+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays.				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50010532 (13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...) Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1 Show InChI InChI=1S/C47H73N15O9S2/c1-5-53-40(66)33(21-27(2)3)59-44(70)37(14-10-20-55-47(51)52)62(4)45(71)32(13-9-19-54-46(49)50)58-43(69)36-26-73-72-25-35(60-39(65)31(48)22-29-15-17-30(63)18-16-29)41(67)56-24-38(64)57-34(42(68)61-36)23-28-11-7-6-8-12-28/h6-8,11-12,15-18,27,31-37,63H,5,9-10,13-14,19-26,48H2,1-4H3,(H,53,66)(H,56,67)(H,57,64)(H,58,69)(H,59,70)(H,60,65)(H,61,68)(H4,49,50,54)(H4,51,52,55)/t31-,32-,33-,34+,35-,36+,37-/m0/s1	PDB UniProtKB/SwissProt 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
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays...				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50010535 (2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...) Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-34(41(49)67)61-45(71)38(15-11-21-56-48(52)53)63(6)46(72)33(14-10-20-55-47(50)51)60-43(69)36(23-29(3)4)62-44(70)37(25-30-12-8-7-9-13-30)59-40(66)27-57-39(65)26-58-42(68)35(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37+,38-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI)				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50010545 (2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...) Show SMILES CCNC(=O)C(CC(C)C)NC(=O)C(CCC[N-]C(N)=[NH2+])N(C)C(=O)C(CCC[N-]C(N)=[NH2+])NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC Show InChI InChI=1S/C50H80N16O11/c1-8-56-44(71)37(23-29(2)3)64-47(74)40(12-10-22-58-50(53)54)65(7)48(75)35(11-9-21-57-49(51)52)62-45(72)38(24-30(4)5)63-46(73)39(26-31-13-17-33(18-14-31)66(76)77)61-42(69)28-59-41(68)27-60-43(70)36(55-6)25-32-15-19-34(67)20-16-32/h13-20,29-30,35-40,55H,8-12,21-28H2,1-7H3,(H16,51,52,53,54,56,57,58,59,60,61,62,63,64,67,68,69,70,71,72,73,74)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays...				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50010534 (2-[2-(2-{2-[3-(4-Hydroxy-phenyl)-2-methylamino-pro...) Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC Show InChI InChI=1S/C50H81N15O9/c1-8-56-44(70)37(24-30(2)3)64-47(73)40(17-13-23-58-50(53)54)65(7)48(74)35(16-12-22-57-49(51)52)62-45(71)38(25-31(4)5)63-46(72)39(27-32-14-10-9-11-15-32)61-42(68)29-59-41(67)28-60-43(69)36(55-6)26-33-18-20-34(66)21-19-33/h9-11,14-15,18-21,30-31,35-40,55,66H,8,12-13,16-17,22-29H2,1-7H3,(H,56,70)(H,59,67)(H,60,69)(H,61,68)(H,62,71)(H,63,72)(H,64,73)(H4,51,52,57)(H4,53,54,58)/t35-,36-,37-,38-,39+,40-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI)				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50010538 (2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C46H73N15O9/c1-5-27(4)38(39(48)65)61-42(68)33(14-10-20-54-46(51)52)58-41(67)32(13-9-19-53-45(49)50)59-43(69)34(21-26(2)3)60-44(70)35(23-28-11-7-6-8-12-28)57-37(64)25-55-36(63)24-56-40(66)31(47)22-29-15-17-30(62)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,62H,5,9-10,13-14,19-25,47H2,1-4H3,(H2,48,65)(H,55,63)(H,56,66)(H,57,64)(H,58,67)(H,59,69)(H,60,70)(H,61,68)(H4,49,50,53)(H4,51,52,54)/t27-,31-,32-,33-,34-,35+,38-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays.				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					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	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays.				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50010537 (2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...) Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-27(2)22-35(40(49)66)62-43(69)34(15-11-21-56-48(52)53)60-42(68)33(14-10-20-55-47(50)51)61-45(71)37(23-28(3)4)63-46(72)38(25-30-12-8-7-9-13-30)59-39(65)26-57-41(67)29(5)58-44(70)36(54-6)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,27-29,33-38,54,64H,10-11,14-15,20-26H2,1-6H3,(H2,49,66)(H,57,67)(H,58,70)(H,59,65)(H,60,68)(H,61,71)(H,62,69)(H,63,72)(H4,50,51,55)(H4,52,53,56)/t29-,33-,34-,35-,36-,37-,38-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays...				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50010545 (2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...) Show SMILES CCNC(=O)C(CC(C)C)NC(=O)C(CCC[N-]C(N)=[NH2+])N(C)C(=O)C(CCC[N-]C(N)=[NH2+])NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CNC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC Show InChI InChI=1S/C50H80N16O11/c1-8-56-44(71)37(23-29(2)3)64-47(74)40(12-10-22-58-50(53)54)65(7)48(75)35(11-9-21-57-49(51)52)62-45(72)38(24-30(4)5)63-46(73)39(26-31-13-17-33(18-14-31)66(76)77)61-42(69)28-59-41(68)27-60-43(70)36(55-6)25-32-15-19-34(67)20-16-32/h13-20,29-30,35-40,55H,8-12,21-28H2,1-7H3,(H16,51,52,53,54,56,57,58,59,60,61,62,63,64,67,68,69,70,71,72,73,74)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays.				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50010538 (2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C46H73N15O9/c1-5-27(4)38(39(48)65)61-42(68)33(14-10-20-54-46(51)52)58-41(67)32(13-9-19-53-45(49)50)59-43(69)34(21-26(2)3)60-44(70)35(23-28-11-7-6-8-12-28)57-37(64)25-55-36(63)24-56-40(66)31(47)22-29-15-17-30(62)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,62H,5,9-10,13-14,19-25,47H2,1-4H3,(H2,48,65)(H,55,63)(H,56,66)(H,57,64)(H,58,67)(H,59,69)(H,60,70)(H,61,68)(H4,49,50,53)(H4,51,52,54)/t27-,31-,32-,33-,34-,35+,38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays.				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50010534 (2-[2-(2-{2-[3-(4-Hydroxy-phenyl)-2-methylamino-pro...) Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC Show InChI InChI=1S/C50H81N15O9/c1-8-56-44(70)37(24-30(2)3)64-47(73)40(17-13-23-58-50(53)54)65(7)48(74)35(16-12-22-57-49(51)52)62-45(71)38(25-31(4)5)63-46(72)39(27-32-14-10-9-11-15-32)61-42(68)29-59-41(67)28-60-43(69)36(55-6)26-33-18-20-34(66)21-19-33/h9-11,14-15,18-21,30-31,35-40,55,66H,8,12-13,16-17,22-29H2,1-7H3,(H,56,70)(H,59,67)(H,60,69)(H,61,68)(H,62,71)(H,63,72)(H,64,73)(H4,51,52,57)(H4,53,54,58)/t35-,36-,37-,38-,39+,40-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays.				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50010542 (2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...) Show SMILES CNC(Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)NC(Cc1ccc(cc1)[N+]([O-])=O)C(=O)NC(CC(C)C)C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)NC(CC(C)C)C(N)=O Show InChI InChI=1S/C47H74N16O11/c1-26(2)20-34(40(48)67)61-43(70)33(9-7-19-55-47(51)52)59-42(69)32(8-6-18-54-46(49)50)60-44(71)36(21-27(3)4)62-45(72)37(23-28-10-14-30(15-11-28)63(73)74)58-39(66)25-56-38(65)24-57-41(68)35(53-5)22-29-12-16-31(64)17-13-29/h10-17,26-27,32-37,53H,6-9,18-25H2,1-5H3,(H18,48,49,50,51,52,54,55,56,57,58,59,60,61,62,64,65,66,67,68,69,70,71,72)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays.				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50010537 (2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...) Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-27(2)22-35(40(49)66)62-43(69)34(15-11-21-56-48(52)53)60-42(68)33(14-10-20-55-47(50)51)61-45(71)37(23-28(3)4)63-46(72)38(25-30-12-8-7-9-13-30)59-39(65)26-57-41(67)29(5)58-44(70)36(54-6)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,27-29,33-38,54,64H,10-11,14-15,20-26H2,1-6H3,(H2,49,66)(H,57,67)(H,58,70)(H,59,65)(H,60,68)(H,61,71)(H,62,69)(H,63,72)(H4,50,51,55)(H4,52,53,56)/t29-,33-,34-,35-,36-,37-,38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays.				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50010536 (2-[5-Guanidino-2-(5-guanidino-2-{2-[2-(2-{2-[3-(4-...) Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C47H75N15O9/c1-27(2)21-34(40(48)66)61-43(69)33(14-10-20-55-47(51)52)59-42(68)32(13-9-19-54-46(49)50)60-44(70)36(22-28(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-39(65)26-56-38(64)25-57-41(67)35(53-5)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,27-28,32-37,53,63H,9-10,13-14,19-26H2,1-5H3,(H2,48,66)(H,56,64)(H,57,67)(H,58,65)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,49,50,54)(H4,51,52,55)/t32-,33-,34-,35-,36-,37+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays.				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50010535 (2-{5-Guanidino-2-[(5-guanidino-2-{2-[2-(2-{2-[3-(4...) Show SMILES CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N(C)[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C48H77N15O9/c1-28(2)22-34(41(49)67)61-45(71)38(15-11-21-56-48(52)53)63(6)46(72)33(14-10-20-55-47(50)51)60-43(69)36(23-29(3)4)62-44(70)37(25-30-12-8-7-9-13-30)59-40(66)27-57-39(65)26-58-42(68)35(54-5)24-31-16-18-32(64)19-17-31/h7-9,12-13,16-19,28-29,33-38,54,64H,10-11,14-15,20-27H2,1-6H3,(H2,49,67)(H,57,65)(H,58,68)(H,59,66)(H,60,69)(H,61,71)(H,62,70)(H4,50,51,55)(H4,52,53,56)/t33-,34-,35-,36-,37+,38-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays.				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor delta 1 of guinea pig brain membrane using [3H]-DPDPE as the radioligand using competition binding assays.				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor kappa 1 of guinea pig brain membrane using [3H]U69,593 as the radioligand using competition binding assays...				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Type-2 angiotensin II receptor (RAT)	BDBM50287290 (CHEMBL34866 | KRH-594 | Potassium; 2-[5-ethyl-3-[2...) Show SMILES CCc1nn(Cc2ccc(cc2)-c2ccccc2-c2nnn[nH]2)c(=NC(=O)C2=C(CCC2)C([O-])=O)s1 |w:24.27,t:30| Show InChI InChI=1S/C25H23N7O3S/c1-2-21-29-32(25(36-21)26-23(33)19-8-5-9-20(19)24(34)35)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-30-31-28-22/h3-4,6-7,10-13H,2,5,8-9,14H2,1H3,(H,34,35)(H,27,28,30,31)/p-1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shinshu University Curated by PDSP Ki Database									Fundam Clin Pharmacol 16: 317-23 (2002) Article DOI: 10.1046/j.1472-8206.2002.00076.x BindingDB Entry DOI: 10.7270/Q2697259
					More data for this Ligand-Target Pair
Type-2 angiotensin II receptor (RAT)	BDBM50006909 (2-Butyl-5-chloro-3-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shinshu University Curated by PDSP Ki Database									Fundam Clin Pharmacol 16: 317-23 (2002) Article DOI: 10.1046/j.1472-8206.2002.00076.x BindingDB Entry DOI: 10.7270/Q2697259
					More data for this Ligand-Target Pair
Type-2 angiotensin II receptor (RAT)	BDBM50240609 (2-Ethoxy-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmet...) Show SMILES CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shinshu University Curated by PDSP Ki Database									Fundam Clin Pharmacol 16: 317-23 (2002) Article DOI: 10.1046/j.1472-8206.2002.00076.x BindingDB Entry DOI: 10.7270/Q2697259
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50010532 (13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...) Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1 Show InChI InChI=1S/C47H73N15O9S2/c1-5-53-40(66)33(21-27(2)3)59-44(70)37(14-10-20-55-47(51)52)62(4)45(71)32(13-9-19-54-46(49)50)58-43(69)36-26-73-72-25-35(60-39(65)31(48)22-29-15-17-30(63)18-16-29)41(67)56-24-38(64)57-34(42(68)61-36)23-28-11-7-6-8-12-28/h6-8,11-12,15-18,27,31-37,63H,5,9-10,13-14,19-26,48H2,1-4H3,(H,53,66)(H,56,67)(H,57,64)(H,58,69)(H,59,70)(H,60,65)(H,61,68)(H4,49,50,54)(H4,51,52,55)/t31-,32-,33-,34+,35-,36+,37-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.00700	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]-DAGO as the radioligand using competition binding assays.				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50421639 (CHEMBL2110195) Show SMILES CC(C)(C)C(=O)N\C(=C/c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O Show InChI InChI=1S/C21H20Cl2N2O4/c1-21(2,3)20(29)25-16(19(27)28)11-12-7-9-13(10-8-12)24-18(26)17-14(22)5-4-6-15(17)23/h4-11H,1-3H3,(H,24,26)(H,25,29)(H,27,28)/b16-11-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of VLA-4 to VCAM-1 binding				Bioorg Med Chem Lett 13: 805-8 (2003) BindingDB Entry DOI: 10.7270/Q25M670J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50010532 (13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...) Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1 Show InChI InChI=1S/C47H73N15O9S2/c1-5-53-40(66)33(21-27(2)3)59-44(70)37(14-10-20-55-47(51)52)62(4)45(71)32(13-9-19-54-46(49)50)58-43(69)36-26-73-72-25-35(60-39(65)31(48)22-29-15-17-30(63)18-16-29)41(67)56-24-38(64)57-34(42(68)61-36)23-28-11-7-6-8-12-28/h6-8,11-12,15-18,27,31-37,63H,5,9-10,13-14,19-26,48H2,1-4H3,(H,53,66)(H,56,67)(H,57,64)(H,58,69)(H,59,70)(H,60,65)(H,61,68)(H4,49,50,54)(H4,51,52,55)/t31-,32-,33-,34+,35-,36+,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD)				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50010532 (13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...) Show SMILES CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1 Show InChI InChI=1S/C47H73N15O9S2/c1-5-53-40(66)33(21-27(2)3)59-44(70)37(14-10-20-55-47(51)52)62(4)45(71)32(13-9-19-54-46(49)50)58-43(69)36-26-73-72-25-35(60-39(65)31(48)22-29-15-17-30(63)18-16-29)41(67)56-24-38(64)57-34(42(68)61-36)23-28-11-7-6-8-12-28/h6-8,11-12,15-18,27,31-37,63H,5,9-10,13-14,19-26,48H2,1-4H3,(H,53,66)(H,56,67)(H,57,64)(H,58,69)(H,59,70)(H,60,65)(H,61,68)(H4,49,50,54)(H4,51,52,55)/t31-,32-,33-,34+,35-,36+,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD).				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111261 ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...) Show SMILES CCN(C)c1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C22H20Cl2N4O5/c1-3-28(2)18-17(19(29)20(18)30)27-15(22(32)33)8-11-4-6-12(7-5-11)26-21(31)16-13(23)9-25-10-14(16)24/h4-7,9-10,15,27H,3,8H2,1-2H3,(H,26,31)(H,32,33)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50010538 (2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C46H73N15O9/c1-5-27(4)38(39(48)65)61-42(68)33(14-10-20-54-46(51)52)58-41(67)32(13-9-19-53-45(49)50)59-43(69)34(21-26(2)3)60-44(70)35(23-28-11-7-6-8-12-28)57-37(64)25-55-36(63)24-56-40(66)31(47)22-29-15-17-30(62)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,62H,5,9-10,13-14,19-25,47H2,1-4H3,(H2,48,65)(H,55,63)(H,56,66)(H,57,64)(H,58,67)(H,59,69)(H,60,70)(H,61,68)(H4,49,50,53)(H4,51,52,54)/t27-,31-,32-,33-,34-,35+,38-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Opioid receptor mu 1 of guinea pig ileum (GPI)				J Med Chem 33: 206-12 (1990) BindingDB Entry DOI: 10.7270/Q2QV3KG6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50111241 ((S)-3-{4-[(3,5-Dichloro-pyridine-4-carbonyl)-amino...) Show SMILES CCCN(C)c1c(N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c(=O)c1=O Show InChI InChI=1S/C23H22Cl2N4O5/c1-3-8-29(2)19-18(20(30)21(19)31)28-16(23(33)34)9-12-4-6-13(7-5-12)27-22(32)17-14(24)10-26-11-15(17)25/h4-7,10-11,16,28H,3,8-9H2,1-2H3,(H,27,32)(H,33,34)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Celltech R&D Ltd Curated by ChEMBL					Assay Description Inhibition of binding of Very late antigen 4/vascular cell adhesion molecule 1 in a protein-based ligand binding assay				Bioorg Med Chem Lett 12: 1051-4 (2002) BindingDB Entry DOI: 10.7270/Q24T6HQ1
					More data for this Ligand-Target Pair

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