Compile Data Set for Download or QSAR

Found 1600 hits with Last Name = 'imoto' and Initial = 'm'   

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
Endothelin receptor type B (Sus scrofa)	BDBM50000558 (CHEMBL437472 | ET-1 | Endothelin -1 | Endothelin 1...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](CO)C(=O)N[C@H]2CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC2=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C109H159N25O32S5/c1-12-56(9)87(107(163)125-76(109(165)166)39-60-43-113-65-24-18-17-23-63(60)65)134-108(164)88(57(10)13-2)133-99(155)75(42-85(143)144)123-94(150)70(36-54(5)6)118-97(153)73(40-61-44-112-52-114-61)121-103(159)80-49-169-168-48-64(111)89(145)126-77(45-135)102(158)131-81-50-170-171-51-82(105(161)132-86(55(7)8)106(162)124-72(38-59-26-28-62(138)29-27-59)95(151)120-71(96(152)130-80)37-58-21-15-14-16-22-58)129-91(147)67(30-31-83(139)140)116-90(146)66(25-19-20-33-110)115-98(154)74(41-84(141)142)122-92(148)68(32-34-167-11)117-93(149)69(35-53(3)4)119-100(156)78(46-136)127-101(157)79(47-137)128-104(81)160/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,113,135-138H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,156)(H,120,151)(H,121,159)(H,122,148)(H,123,150)(H,124,162)(H,125,163)(H,126,145)(H,127,157)(H,128,160)(H,129,147)(H,130,152)(H,131,158)(H,132,161)(H,133,155)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,64+,66-,67-,68-,69+,70-,71-,72+,73-,74+,75-,76-,77+,78-,79+,80-,81-,82+,86-,87-,88-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.00800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Sus scrofa)	BDBM50000558 (CHEMBL437472 | ET-1 | Endothelin -1 | Endothelin 1...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](CO)C(=O)N[C@H]2CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC2=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C109H159N25O32S5/c1-12-56(9)87(107(163)125-76(109(165)166)39-60-43-113-65-24-18-17-23-63(60)65)134-108(164)88(57(10)13-2)133-99(155)75(42-85(143)144)123-94(150)70(36-54(5)6)118-97(153)73(40-61-44-112-52-114-61)121-103(159)80-49-169-168-48-64(111)89(145)126-77(45-135)102(158)131-81-50-170-171-51-82(105(161)132-86(55(7)8)106(162)124-72(38-59-26-28-62(138)29-27-59)95(151)120-71(96(152)130-80)37-58-21-15-14-16-22-58)129-91(147)67(30-31-83(139)140)116-90(146)66(25-19-20-33-110)115-98(154)74(41-84(141)142)122-92(148)68(32-34-167-11)117-93(149)69(35-53(3)4)119-100(156)78(46-136)127-101(157)79(47-137)128-104(81)160/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,113,135-138H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,156)(H,120,151)(H,121,159)(H,122,148)(H,123,150)(H,124,162)(H,125,163)(H,126,145)(H,127,157)(H,128,160)(H,129,147)(H,130,152)(H,131,158)(H,132,161)(H,133,155)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,64+,66-,67-,68-,69+,70-,71-,72+,73-,74+,75-,76-,77+,78-,79+,80-,81-,82+,86-,87-,88-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET1 binding to the Endothelin A receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair
Endothelin receptor type B (Sus scrofa)	BDBM50287890 (CHEMBL427778 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-His-Leu...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C77H105N15O21/c1-11-41(7)64(75(110)89-58(77(112)113)33-47-36-79-51-21-17-16-20-50(47)51)92-76(111)65(42(8)12-2)91-73(108)57(35-62(99)100)87-70(105)53(30-39(3)4)85-72(107)56(34-48-37-78-38-80-48)84-66(101)43(9)82-69(104)54(31-45-18-14-13-15-19-45)86-71(106)55(32-46-22-24-49(93)25-23-46)88-74(109)63(40(5)6)90-67(102)44(10)81-68(103)52(26-28-60(95)96)83-59(94)27-29-61(97)98/h13-25,36-44,52-58,63-65,79,93H,11-12,26-35H2,1-10H3,(H,78,80)(H,81,103)(H,82,104)(H,83,94)(H,84,101)(H,85,107)(H,86,106)(H,87,105)(H,88,109)(H,89,110)(H,90,102)(H,91,108)(H,92,111)(H,95,96)(H,97,98)(H,99,100)(H,112,113)/t41-,42-,43-,44-,52-,53-,54-,55-,56-,57-,58-,63-,64-,65-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair
Endothelin receptor type B (Sus scrofa)	BDBM50287885 (CHEMBL405377 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-His-Leu...) Show SMILES CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C75H103N15O19/c1-11-41(7)63(74(107)90-64(42(8)12-2)73(106)87-57(75(108)109)33-47-35-77-51-21-17-16-20-50(47)51)88-59(93)37-78-67(100)53(30-39(3)4)84-71(104)56(34-48-36-76-38-79-48)83-65(98)43(9)81-69(102)54(31-45-18-14-13-15-19-45)85-70(103)55(32-46-22-24-49(91)25-23-46)86-72(105)62(40(5)6)89-66(99)44(10)80-68(101)52(26-28-60(94)95)82-58(92)27-29-61(96)97/h13-25,35-36,38-44,52-57,62-64,77,91H,11-12,26-34,37H2,1-10H3,(H,76,79)(H,78,100)(H,80,101)(H,81,102)(H,82,92)(H,83,98)(H,84,104)(H,85,103)(H,86,105)(H,87,106)(H,88,93)(H,89,99)(H,90,107)(H,94,95)(H,96,97)(H,108,109)/t41-,42-,43-,44-,52-,53-,54-,55-,56-,57-,62-,63-,64-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50031962 (3-(5,7-Dimethyl-2-propyl-imidazo[4,5-b]pyridin-3-y...) Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1 Show InChI InChI=1S/C28H25N7O/c1-4-7-24-30-25-16(2)12-17(3)29-28(25)35(24)15-18-10-11-21-22(13-18)26(36)20-9-6-5-8-19(20)14-23(21)27-31-33-34-32-27/h5-6,8-14H,4,7,15H2,1-3H3,(H,31,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1				J Med Chem 38: 2728-41 (1995) BindingDB Entry DOI: 10.7270/Q23B5Z5Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50031954 (3-(2-Cyclopropyl-5,7-dimethyl-imidazo[4,5-b]pyridi...) Show SMILES Cc1cc(C)c2nc(C3CC3)n(Cc3ccc4c(cc5ccccc5c(=O)c4c3)-c3nnn[nH]3)c2n1 Show InChI InChI=1S/C28H23N7O/c1-15-11-16(2)29-28-24(15)30-27(18-8-9-18)35(28)14-17-7-10-21-22(12-17)25(36)20-6-4-3-5-19(20)13-23(21)26-31-33-34-32-26/h3-7,10-13,18H,8-9,14H2,1-2H3,(H,31,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1				J Med Chem 38: 2728-41 (1995) BindingDB Entry DOI: 10.7270/Q23B5Z5Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50031953 (3-(2-Ethyl-6-methoxy-[1,5]naphthyridin-4-yloxymeth...) Show SMILES CCc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2nc(OC)ccc2n1 Show InChI InChI=1S/C28H22N6O3/c1-3-18-14-24(26-23(29-18)10-11-25(30-26)36-2)37-15-16-8-9-20-21(12-16)27(35)19-7-5-4-6-17(19)13-22(20)28-31-33-34-32-28/h4-14H,3,15H2,1-2H3,(H,31,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1				J Med Chem 38: 2728-41 (1995) BindingDB Entry DOI: 10.7270/Q23B5Z5Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50031957 (5,7-Dimethyl-2-propyl-3-[11-(1H-tetrazol-5-yl)-5H-...) Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(Cc3ccccc3C=C2c2nnn[nH]2)c1 |c:30| Show InChI InChI=1S/C28H27N7/c1-4-7-25-30-26-17(2)12-18(3)29-28(26)35(25)16-19-10-11-23-22(13-19)14-20-8-5-6-9-21(20)15-24(23)27-31-33-34-32-27/h5-6,8-13,15H,4,7,14,16H2,1-3H3,(H,31,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1				J Med Chem 38: 2728-41 (1995) BindingDB Entry DOI: 10.7270/Q23B5Z5Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50031960 (3-(2-Ethyl-quinolin-4-yloxymethyl)-11-(1H-tetrazol...) Show SMILES CCc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2ccccc2n1 Show InChI InChI=1S/C28H21N5O2/c1-2-19-15-26(22-9-5-6-10-25(22)29-19)35-16-17-11-12-21-23(13-17)27(34)20-8-4-3-7-18(20)14-24(21)28-30-32-33-31-28/h3-15H,2,16H2,1H3,(H,30,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1				J Med Chem 38: 2728-41 (1995) BindingDB Entry DOI: 10.7270/Q23B5Z5Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50031961 (3-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl...) Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1 Show InChI InChI=1S/C27H23N7O/c1-4-23-29-24-15(2)11-16(3)28-27(24)34(23)14-17-9-10-20-21(12-17)25(35)19-8-6-5-7-18(19)13-22(20)26-30-32-33-31-26/h5-13H,4,14H2,1-3H3,(H,30,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1				J Med Chem 38: 2728-41 (1995) BindingDB Entry DOI: 10.7270/Q23B5Z5Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50031955 (5,7-Dimethyl-2-propyl-3-[11-(1H-tetrazol-5-yl)-dib...) Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(Oc3ccccc3C=C2c2nnn[nH]2)c1 |c:30| Show InChI InChI=1S/C27H25N7O/c1-4-7-24-29-25-16(2)12-17(3)28-27(25)34(24)15-18-10-11-20-21(26-30-32-33-31-26)14-19-8-5-6-9-22(19)35-23(20)13-18/h5-6,8-14H,4,7,15H2,1-3H3,(H,30,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1				J Med Chem 38: 2728-41 (1995) BindingDB Entry DOI: 10.7270/Q23B5Z5Q
					More data for this Ligand-Target Pair
Endothelin receptor type B (Sus scrofa)	BDBM50287883 (CHEMBL412003 | Suc-Glu-Ala-Gly-Tyr-Phe-Ala-His-Leu...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C74H99N15O21/c1-9-39(5)62(72(107)87-56(74(109)110)31-45-34-76-49-19-15-14-18-48(45)49)89-73(108)63(40(6)10-2)88-71(106)55(33-61(97)98)86-68(103)51(28-38(3)4)84-70(105)54(32-46-35-75-37-78-46)83-65(100)42(8)80-67(102)53(29-43-16-12-11-13-17-43)85-69(104)52(30-44-20-22-47(90)23-21-44)82-58(92)36-77-64(99)41(7)79-66(101)50(24-26-59(93)94)81-57(91)25-27-60(95)96/h11-23,34-35,37-42,50-56,62-63,76,90H,9-10,24-33,36H2,1-8H3,(H,75,78)(H,77,99)(H,79,101)(H,80,102)(H,81,91)(H,82,92)(H,83,100)(H,84,105)(H,85,104)(H,86,103)(H,87,107)(H,88,106)(H,89,108)(H,93,94)(H,95,96)(H,97,98)(H,109,110)/t39-,40-,41-,42+,50-,51-,52-,53-,54-,55-,56-,62-,63-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50214707 (9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...) Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 0.025 mM i...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50214707 (9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...) Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 0.02...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelin receptor type B (Sus scrofa)	BDBM50287882 (CHEMBL412065 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-Gly-Leu...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C73H101N13O21/c1-11-39(7)61(71(104)83-54(73(106)107)33-45-35-74-48-21-17-16-20-47(45)48)86-72(105)62(40(8)12-2)85-69(102)53(34-59(94)95)81-67(100)50(30-37(3)4)79-56(89)36-75-63(96)41(9)76-66(99)51(31-43-18-14-13-15-19-43)80-68(101)52(32-44-22-24-46(87)25-23-44)82-70(103)60(38(5)6)84-64(97)42(10)77-65(98)49(26-28-57(90)91)78-55(88)27-29-58(92)93/h13-25,35,37-42,49-54,60-62,74,87H,11-12,26-34,36H2,1-10H3,(H,75,96)(H,76,99)(H,77,98)(H,78,88)(H,79,89)(H,80,101)(H,81,100)(H,82,103)(H,83,104)(H,84,97)(H,85,102)(H,86,105)(H,90,91)(H,92,93)(H,94,95)(H,106,107)/t39-,40-,41-,42-,49-,50-,51-,52-,53-,54-,60-,61-,62-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair
Endothelin receptor type B (Sus scrofa)	BDBM50071433 ((S)-2-{(R)-3-Biphenyl-4-yl-2-[(3,5-dimethyl-benzoy...) Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C36H35N3O4/c1-23-17-24(2)19-28(18-23)35(41)39(3)33(20-25-13-15-27(16-14-25)26-9-5-4-6-10-26)34(40)38-32(36(42)43)21-29-22-37-31-12-8-7-11-30(29)31/h4-19,22,32-33,37H,20-21H2,1-3H3,(H,38,40)(H,42,43)/t32-,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50214707 (9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...) Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of human PNP in presence of 0.025 mM phosphate				Bioorg Med Chem Lett 17: 4173-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.054 BindingDB Entry DOI: 10.7270/Q29P31CS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50214707 (9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...) Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf PNP in presence of 0.025 mM phosphate				Bioorg Med Chem Lett 17: 4173-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.054 BindingDB Entry DOI: 10.7270/Q29P31CS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50031964 (3-[(5-Ethyl-pyrazolo[1,5-a]pyrimidin-7-ylamino)-me...) Show SMILES CCc1cc(NCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)n2nccc2n1 Show InChI InChI=1S/C25H20N8O/c1-2-17-13-23(33-22(28-17)9-10-27-33)26-14-15-7-8-19-20(11-15)24(34)18-6-4-3-5-16(18)12-21(19)25-29-31-32-30-25/h3-13,26H,2,14H2,1H3,(H,29,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1				J Med Chem 38: 2728-41 (1995) BindingDB Entry DOI: 10.7270/Q23B5Z5Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50031956 (3-(2-Ethyl-5,6,7,8-tetrahydro-quinolin-4-yloxymeth...) Show SMILES CCc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2CCCCc2n1 Show InChI InChI=1S/C28H25N5O2/c1-2-19-15-26(22-9-5-6-10-25(22)29-19)35-16-17-11-12-21-23(13-17)27(34)20-8-4-3-7-18(20)14-24(21)28-30-32-33-31-28/h3-4,7-8,11-15H,2,5-6,9-10,16H2,1H3,(H,30,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1				J Med Chem 38: 2728-41 (1995) BindingDB Entry DOI: 10.7270/Q23B5Z5Q
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50139906 (CHEMBL414991 | DPhe-His-Leu-Leu-Arg-Glu-Val-Leu-Gl...) Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)C(CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCC)NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(C)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](N)Cc2ccccc2)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N1)C(=O)CN[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O Show InChI InChI=1S/C164H275N49O41/c1-24-28-43-100(122(215)80-183-101(57-62-128(222)223)139(232)213-132(90(18)27-4)161(254)212-131(133(170)226)89(17)26-3)190-153(246)115(70-84(7)8)206-146(239)103(45-33-35-64-165)195-144(237)107(49-39-67-181-163(173)174)199-159(252)121(77-125(169)218)209-147(240)104-46-34-36-65-179-126(219)61-56-112(142(235)188-95(23)137(230)203-119(157(250)196-104)75-97-78-177-81-184-97)202-148(241)110(54-59-123(167)216)192-136(229)94(22)189-152(245)114(69-83(5)6)205-150(243)111(55-60-124(168)217)201-149(242)113(58-63-129(224)225)193-135(228)93(21)187-141(234)106(48-38-66-180-162(171)172)191-134(227)92(20)186-140(233)102(44-29-25-2)194-143(236)105(47-37-51-127(220)221)197-155(248)118(73-87(13)14)210-160(253)130(88(15)16)211-151(244)109(53-52-91(19)214)200-145(238)108(50-40-68-182-164(175)176)198-154(247)116(71-85(9)10)207-156(249)117(72-86(11)12)208-158(251)120(76-98-79-178-82-185-98)204-138(231)99(166)74-96-41-31-30-32-42-96/h30-32,41-42,78-79,81-90,92-95,99-121,130-132,183H,24-29,33-40,43-77,80,165-166H2,1-23H3,(H2,167,216)(H2,168,217)(H2,169,218)(H2,170,226)(H,177,184)(H,178,185)(H,179,219)(H,186,233)(H,187,234)(H,188,235)(H,189,245)(H,190,246)(H,191,227)(H,192,229)(H,193,228)(H,194,236)(H,195,237)(H,196,250)(H,197,248)(H,198,247)(H,199,252)(H,200,238)(H,201,242)(H,202,241)(H,203,230)(H,204,231)(H,205,243)(H,206,239)(H,207,249)(H,208,251)(H,209,240)(H,210,253)(H,211,244)(H,212,254)(H,213,232)(H,220,221)(H,222,223)(H,224,225)(H4,171,172,180)(H4,173,174,181)(H4,175,176,182)/t89-,90-,92-,93-,94-,95-,99+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114?,115-,116?,117?,118-,119-,120-,121-,130-,131-,132-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.				J Med Chem 47: 1075-8 (2004) Article DOI: 10.1021/jm034180+ BindingDB Entry DOI: 10.7270/Q28P5ZXK
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50031959 (2-Butyl-5-chloro-3-[5-oxo-11-(1H-tetrazol-5-yl)-5H...) Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1 Show InChI InChI=1S/C25H21ClN6O3/c1-2-3-8-20-27-23(26)21(25(34)35)32(20)13-14-9-10-17-18(11-14)22(33)16-7-5-4-6-15(16)12-19(17)24-28-30-31-29-24/h4-7,9-12H,2-3,8,13H2,1H3,(H,34,35)(H,28,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1				J Med Chem 38: 2728-41 (1995) BindingDB Entry DOI: 10.7270/Q23B5Z5Q
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50214705 (5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...) Show SMILES Nc1nc2n(CCCCC(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf PNP in presence of 0.025 mM phosphate				Bioorg Med Chem Lett 17: 4173-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.054 BindingDB Entry DOI: 10.7270/Q29P31CS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50031965 (2-Ethyl-4-[5-oxo-11-(1H-tetrazol-5-yl)-5H-dibenzo[...) Show SMILES CCc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2cc(ccc2n1)C(O)=O Show InChI InChI=1S/C29H21N5O4/c1-2-19-14-26(24-13-18(29(36)37)8-10-25(24)30-19)38-15-16-7-9-21-22(11-16)27(35)20-6-4-3-5-17(20)12-23(21)28-31-33-34-32-28/h3-14H,2,15H2,1H3,(H,36,37)(H,31,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1				J Med Chem 38: 2728-41 (1995) BindingDB Entry DOI: 10.7270/Q23B5Z5Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50031966 (2-Ethoxy-3-[5-oxo-11-(1H-tetrazol-5-yl)-5H-dibenzo...) Show SMILES CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1 Show InChI InChI=1S/C27H20N6O4/c1-2-37-27-28-22-9-5-8-19(26(35)36)23(22)33(27)14-15-10-11-18-20(12-15)24(34)17-7-4-3-6-16(17)13-21(18)25-29-31-32-30-25/h3-13H,2,14H2,1H3,(H,35,36)(H,29,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1				J Med Chem 38: 2728-41 (1995) BindingDB Entry DOI: 10.7270/Q23B5Z5Q
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50214705 (5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...) Show SMILES Nc1nc2n(CCCCC(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 0.025 mM i...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50031950 (2,6-Dimethyl-4-{[5-oxo-11-(1H-tetrazol-5-yl)-5H-di...) Show SMILES CCOC(=O)c1c(C)nc(C)cc1NCc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1 Show InChI InChI=1S/C27H24N6O3/c1-4-36-27(35)24-16(3)29-15(2)11-23(24)28-14-17-9-10-20-21(12-17)25(34)19-8-6-5-7-18(19)13-22(20)26-30-32-33-31-26/h5-13H,4,14H2,1-3H3,(H,28,29)(H,30,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1				J Med Chem 38: 2728-41 (1995) BindingDB Entry DOI: 10.7270/Q23B5Z5Q
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50078977 (1-(3-{3-[N'-(4-Hydroxy-phenyl)-guanidino]-2-oxo-2,...) Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(N=C(N)Nc3ccc(O)cc3)C2=O)c1 |w:23.23| Show InChI InChI=1S/C28H32N6O3/c1-18(2)30-28(37)32-22-8-5-6-19(16-22)17-34-25-9-4-3-7-20(25)10-15-24(26(34)36)33-27(29)31-21-11-13-23(35)14-12-21/h3-9,11-14,16,18,24,35H,10,15,17H2,1-2H3,(H3,29,31,33)(H2,30,32,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Company, Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...				J Med Chem 42: 2621-32 (1999) Article DOI: 10.1021/jm990044m BindingDB Entry DOI: 10.7270/Q2XK8DRQ
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50139920 (Ac-(Glu-Aib-Glu-Lys)-Leu-Arg-Lys-Leu-Cha-Asp-Ile-I...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)[C@@H](C)CC)C(N)=O Show InChI InChI=1S/C70H112N18O21/c1-9-37(5)56(58(72)98)87-69(109)57(38(6)10-2)88-68(108)51(35-55(96)97)86-66(106)49(33-41-19-12-11-13-20-41)84-64(104)47(31-36(3)4)82-60(100)42(21-14-16-28-71)78-59(99)44(23-18-30-76-70(73)74)80-65(105)48(32-39(7)89)83-61(101)43-22-15-17-29-75-52(91)26-24-45(77-40(8)90)62(102)85-50(34-54(94)95)67(107)81-46(63(103)79-43)25-27-53(92)93/h11-13,19-20,36-38,42-51,56-57H,9-10,14-18,21-35,71H2,1-8H3,(H2,72,98)(H,75,91)(H,77,90)(H,78,99)(H,79,103)(H,80,105)(H,81,107)(H,82,100)(H,83,101)(H,84,104)(H,85,102)(H,86,106)(H,87,109)(H,88,108)(H,92,93)(H,94,95)(H,96,97)(H4,73,74,76)/t37-,38-,42-,43-,44-,45+,46-,47-,48-,49-,50-,51-,56-,57-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.				J Med Chem 47: 1075-8 (2004) Article DOI: 10.1021/jm034180+ BindingDB Entry DOI: 10.7270/Q28P5ZXK
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50139907 (Ac-(Glu-Ala-Glu-Lys)-Leu-Arg-Lys-Leu-Cha-Asp-Ile-I...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)[C@@H](C)CC)C(N)=O Show InChI InChI=1S/C68H117N19O19/c1-9-36(5)54(56(71)95)86-67(106)55(37(6)10-2)87-66(105)49(34-53(93)94)85-64(103)47(32-40-19-12-11-13-20-40)83-63(102)46(31-35(3)4)82-60(99)41(21-14-16-28-69)79-59(98)43(23-18-30-75-68(72)73)81-65(104)48(33-50(70)89)84-61(100)42-22-15-17-29-74-51(90)26-24-44(77-39(8)88)58(97)76-38(7)57(96)78-45(62(101)80-42)25-27-52(91)92/h35-38,40-49,54-55H,9-34,69H2,1-8H3,(H2,70,89)(H2,71,95)(H,74,90)(H,76,97)(H,77,88)(H,78,96)(H,79,98)(H,80,101)(H,81,104)(H,82,99)(H,83,102)(H,84,100)(H,85,103)(H,86,106)(H,87,105)(H,91,92)(H,93,94)(H4,72,73,75)/t36-,37-,38+,41-,42-,43-,44+,45-,46-,47-,48-,49-,54-,55-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.				J Med Chem 47: 1075-8 (2004) Article DOI: 10.1021/jm034180+ BindingDB Entry DOI: 10.7270/Q28P5ZXK
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50031951 (2-Ethoxy-3-[11-(1H-tetrazol-5-yl)-dibenzo[b,f]oxep...) Show SMILES CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc2c(Oc3ccccc3C=C2c2nnn[nH]2)c1 |c:31| Show InChI InChI=1S/C26H20N6O4/c1-2-35-26-27-20-8-5-7-18(25(33)34)23(20)32(26)14-15-10-11-17-19(24-28-30-31-29-24)13-16-6-3-4-9-21(16)36-22(17)12-15/h3-13H,2,14H2,1H3,(H,33,34)(H,28,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1				J Med Chem 38: 2728-41 (1995) BindingDB Entry DOI: 10.7270/Q23B5Z5Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50031949 (3-(2-Methyl-5,6,7,8-tetrahydro-quinolin-4-yloxymet...) Show SMILES Cc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2CCCCc2n1 Show InChI InChI=1S/C27H23N5O2/c1-16-12-25(21-8-4-5-9-24(21)28-16)34-15-17-10-11-20-22(13-17)26(33)19-7-3-2-6-18(19)14-23(20)27-29-31-32-30-27/h2-3,6-7,10-14H,4-5,8-9,15H2,1H3,(H,29,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1				J Med Chem 38: 2728-41 (1995) BindingDB Entry DOI: 10.7270/Q23B5Z5Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50031963 (2,6-Dimethyl-4-[5-oxo-11-(1H-tetrazol-5-yl)-5H-dib...) Show SMILES CCOC(=O)c1c(C)nc(C)cc1OCc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1 Show InChI InChI=1S/C27H23N5O4/c1-4-35-27(34)24-16(3)28-15(2)11-23(24)36-14-17-9-10-20-21(12-17)25(33)19-8-6-5-7-18(19)13-22(20)26-29-31-32-30-26/h5-13H,4,14H2,1-3H3,(H,29,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. Curated by ChEMBL					Assay Description Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1				J Med Chem 38: 2728-41 (1995) BindingDB Entry DOI: 10.7270/Q23B5Z5Q
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50214707 (9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...) Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM inorg...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Endothelin receptor type B (Sus scrofa)	BDBM50287878 (CGP-49941 | CHEMBL305615 | N-{(R)-1-[2-(1H-Indol-3...) Show SMILES CN([C@H](Cc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12)C(=O)c1cc(C)cc(C)c1 Show InChI InChI=1S/C29H31N3O2/c1-20-15-21(2)17-24(16-20)29(34)32(3)27(18-22-9-5-4-6-10-22)28(33)30-14-13-23-19-31-26-12-8-7-11-25(23)26/h4-12,15-17,19,27,31H,13-14,18H2,1-3H3,(H,30,33)/t27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50078965 (1-Benzothiazol-6-yl-3-{1-[3-(3-isopropyl-ureido)-b...) Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4ncsc4c3)C2=O)c1 Show InChI InChI=1S/C29H30N6O3S/c1-18(2)31-28(37)32-21-8-5-6-19(14-21)16-35-25-9-4-3-7-20(25)10-12-24(27(35)36)34-29(38)33-22-11-13-23-26(15-22)39-17-30-23/h3-9,11,13-15,17-18,24H,10,12,16H2,1-2H3,(H2,31,32,37)(H2,33,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Company, Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...				J Med Chem 42: 2621-32 (1999) Article DOI: 10.1021/jm990044m BindingDB Entry DOI: 10.7270/Q2XK8DRQ
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50308521 (9-[6',6'-Difluoro-6'-(diethylphosphono)hexyl]-9-de...) Show SMILES CCOP(=O)(OCC)C(F)(F)CCCCCc1c[nH]c2c1nc(N)[nH]c2=O Show InChI InChI=1S/C16H25F2N4O4P/c1-3-25-27(24,26-4-2)16(17,18)9-7-5-6-8-11-10-20-13-12(11)21-15(19)22-14(13)23/h10,20H,3-9H2,1-2H3,(H3,19,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair
Endothelin receptor type B (Sus scrofa)	BDBM50287888 (CHEMBL407559 | Suc-Glu-Ala-Val-Tyr-Phe-Gly-His-Leu...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C76H103N15O21/c1-10-41(7)64(74(109)88-57(76(111)112)32-46-35-78-50-20-16-15-19-49(46)50)91-75(110)65(42(8)11-2)90-72(107)56(34-62(99)100)86-69(104)52(29-39(3)4)84-71(106)55(33-47-36-77-38-80-47)83-59(94)37-79-67(102)53(30-44-17-13-12-14-18-44)85-70(105)54(31-45-21-23-48(92)24-22-45)87-73(108)63(40(5)6)89-66(101)43(9)81-68(103)51(25-27-60(95)96)82-58(93)26-28-61(97)98/h12-24,35-36,38-43,51-57,63-65,78,92H,10-11,25-34,37H2,1-9H3,(H,77,80)(H,79,102)(H,81,103)(H,82,93)(H,83,94)(H,84,106)(H,85,105)(H,86,104)(H,87,108)(H,88,109)(H,89,101)(H,90,107)(H,91,110)(H,95,96)(H,97,98)(H,99,100)(H,111,112)/t41-,42-,43-,51-,52-,53-,54-,55-,56-,57-,63-,64-,65-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50139905 (Ac-(Glu-Ala-Glu-Lys)-Leu-Arg-Lys-Leu-Phe-Asp-Ile-I...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)[C@@H](C)CC)C(N)=O Show InChI InChI=1S/C68H117N19O19/c1-9-36(5)54(56(71)95)86-67(106)55(37(6)10-2)87-66(105)49(34-53(93)94)85-64(103)47(32-40-19-12-11-13-20-40)83-63(102)46(31-35(3)4)82-60(99)41(21-14-16-28-69)79-59(98)43(23-18-30-75-68(72)73)81-65(104)48(33-50(70)89)84-61(100)42-22-15-17-29-74-51(90)26-24-44(77-39(8)88)58(97)76-38(7)57(96)78-45(62(101)80-42)25-27-52(91)92/h35-38,40-49,54-55H,9-34,69H2,1-8H3,(H2,70,89)(H2,71,95)(H,74,90)(H,76,97)(H,77,88)(H,78,96)(H,79,98)(H,80,101)(H,81,104)(H,82,99)(H,83,102)(H,84,100)(H,85,103)(H,86,106)(H,87,105)(H,91,92)(H,93,94)(H4,72,73,75)/t36-,37-,38-,41-,42-,43-,44+,45-,46-,47-,48-,49-,54-,55-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity at human CRF1 receptor (CRFR1) on HeLA cell membranes.				J Med Chem 47: 1075-8 (2004) Article DOI: 10.1021/jm034180+ BindingDB Entry DOI: 10.7270/Q28P5ZXK
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50415479 (CHEMBL601619) Show SMILES CCOP(=O)(OCC)C(F)(F)CCCCCCCc1c[nH]c2c1nc(N)[nH]c2=O Show InChI InChI=1S/C18H29F2N4O4P/c1-3-27-29(26,28-4-2)18(19,20)11-9-7-5-6-8-10-13-12-22-15-14(13)23-17(21)24-16(15)25/h12,22H,3-11H2,1-2H3,(H3,21,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of human erythrocyte PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50308521 (9-[6',6'-Difluoro-6'-(diethylphosphono)hexyl]-9-de...) Show SMILES CCOP(=O)(OCC)C(F)(F)CCCCCc1c[nH]c2c1nc(N)[nH]c2=O Show InChI InChI=1S/C16H25F2N4O4P/c1-3-25-27(24,26-4-2)16(17,18)9-7-5-6-8-11-10-20-13-12(11)21-15(19)22-14(13)23/h10,20H,3-9H2,1-2H3,(H3,19,21,22,23)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM inorg...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50214708 (6-(2-amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyri...) Show SMILES Nc1nc2c(CCCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C12H17F2N4O4P/c13-12(14,23(20,21)22)5-3-1-2-4-7-6-16-9-8(7)17-11(15)18-10(9)19/h6,16H,1-5H2,(H2,20,21,22)(H3,15,17,18,19)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf PNP in presence of 1 mM phosphate				Bioorg Med Chem Lett 17: 4173-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.054 BindingDB Entry DOI: 10.7270/Q29P31CS
					More data for this Ligand-Target Pair
Endothelin receptor type B (Sus scrofa)	BDBM50287886 (CHEMBL405796 | Suc-Glu-Ala-Val-Tyr-Phe-Ala-His-Gly...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)CCC(O)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C73H97N15O21/c1-9-38(5)61(71(106)85-54(73(108)109)30-44-33-75-48-19-15-14-18-47(44)48)88-72(107)62(39(6)10-2)87-69(104)53(32-59(96)97)81-56(91)35-76-65(100)52(31-45-34-74-36-77-45)82-63(98)40(7)79-67(102)50(28-42-16-12-11-13-17-42)83-68(103)51(29-43-20-22-46(89)23-21-43)84-70(105)60(37(3)4)86-64(99)41(8)78-66(101)49(24-26-57(92)93)80-55(90)25-27-58(94)95/h11-23,33-34,36-41,49-54,60-62,75,89H,9-10,24-32,35H2,1-8H3,(H,74,77)(H,76,100)(H,78,101)(H,79,102)(H,80,90)(H,81,91)(H,82,98)(H,83,103)(H,84,105)(H,85,106)(H,86,99)(H,87,104)(H,88,107)(H,92,93)(H,94,95)(H,96,97)(H,108,109)/t38-,39-,40-,41-,49-,50-,51-,52-,53-,54-,60-,61-,62-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to inhibit [125I]ET-3 binding to the Endothelin B receptor from porcine lung membranes was evaluated				Bioorg Med Chem Lett 6: 2323-2328 (1996) Article DOI: 10.1016/0960-894X(96)00421-0 BindingDB Entry DOI: 10.7270/Q21J9B8K
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50415479 (CHEMBL601619) Show SMILES CCOP(=O)(OCC)C(F)(F)CCCCCCCc1c[nH]c2c1nc(N)[nH]c2=O Show InChI InChI=1S/C18H29F2N4O4P/c1-3-27-29(26,28-4-2)18(19,20)11-9-7-5-6-8-10-13-12-22-15-14(13)23-17(21)24-16(15)25/h12,22H,3-11H2,1-2H3,(H3,21,23,24,25)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM inorg...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50415479 (CHEMBL601619) Show SMILES CCOP(=O)(OCC)C(F)(F)CCCCCCCc1c[nH]c2c1nc(N)[nH]c2=O Show InChI InChI=1S/C18H29F2N4O4P/c1-3-27-29(26,28-4-2)18(19,20)11-9-7-5-6-8-10-13-12-22-15-14(13)23-17(21)24-16(15)25/h12,22H,3-11H2,1-2H3,(H3,21,23,24,25)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 1 mM inorg...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50214707 (9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...) Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Inhibition of bovine PNP using 7-methylguanosine as substrate by spectrophotometric based coupled assay				Bioorg Med Chem 20: 6758-69 (2012) Article DOI: 10.1016/j.bmc.2012.08.045 BindingDB Entry DOI: 10.7270/Q23N24H7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50214705 (5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...) Show SMILES Nc1nc2n(CCCCC(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrofluorimetric method in presence of 1...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50079009 (1-(3-{3-[N'-(4-Hydroxy-phenyl)-N''-methyl-guanidin...) Show SMILES CNC(Nc1ccc(O)cc1)=NC1CCc2ccccc2N(Cc2cccc(NC(=O)NC(C)C)c2)C1=O |w:11.12| Show InChI InChI=1S/C29H34N6O3/c1-19(2)31-29(38)33-23-9-6-7-20(17-23)18-35-26-10-5-4-8-21(26)11-16-25(27(35)37)34-28(30-3)32-22-12-14-24(36)15-13-22/h4-10,12-15,17,19,25,36H,11,16,18H2,1-3H3,(H2,30,32,34)(H2,31,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Company, Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...				J Med Chem 42: 2621-32 (1999) Article DOI: 10.1021/jm990044m BindingDB Entry DOI: 10.7270/Q2XK8DRQ
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50078970 (1-(2-Fluoro-phenyl)-3-{1-[3-(3-isopropyl-ureido)-b...) Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccccc3F)C2=O)c1 Show InChI InChI=1S/C28H30FN5O3/c1-18(2)30-27(36)31-21-10-7-8-19(16-21)17-34-25-13-6-3-9-20(25)14-15-24(26(34)35)33-28(37)32-23-12-5-4-11-22(23)29/h3-13,16,18,24H,14-15,17H2,1-2H3,(H2,30,31,36)(H2,32,33,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Company, Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...				J Med Chem 42: 2621-32 (1999) Article DOI: 10.1021/jm990044m BindingDB Entry DOI: 10.7270/Q2XK8DRQ
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50079012 (1-Benzo[b]thiophen-6-yl-3-{1-[3-(3-isopropyl-ureid...) Show SMILES CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC(NC(=O)Nc3ccc4ccsc4c3)C2=O)c1 Show InChI InChI=1S/C30H31N5O3S/c1-19(2)31-29(37)32-23-8-5-6-20(16-23)18-35-26-9-4-3-7-21(26)11-13-25(28(35)36)34-30(38)33-24-12-10-22-14-15-39-27(22)17-24/h3-10,12,14-17,19,25H,11,13,18H2,1-2H3,(H2,31,32,37)(H2,33,34,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Company, Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity towards Neuropeptide Y receptor type 1 was determined as potency to displace [125I]-peptide YY binding to human neuroblasto...				J Med Chem 42: 2621-32 (1999) Article DOI: 10.1021/jm990044m BindingDB Entry DOI: 10.7270/Q2XK8DRQ
					More data for this Ligand-Target Pair

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