target,target_id,target_uniprot,target_species,ligand,ligand_id,ligand_species,ligand_pubchem_cid,smiles,inchi,inchikey,type,action,action_comment,endogenous,primary_target,concentration_range,affinity_parameter,affinity_high,affinity_median,affinity_low,original_affinity_units,original_affinity_low_nm,original_affinity_median_nm,original_affinity_high_nm,original_affinity_relation,assay_description,receptor_site,ligand_context,pubmed_id MAS1,150,P30554,Mouse,angiotensin-(1-7),582,"Human, Mouse, Rat",123805,CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1[nH]cnc1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CCCN=C(N)N)Cc1ccc(cc1)O)C,"InChI=1S/C41H62N12O11/c1-5-22(4)33(38(61)50-29(17-24-19-45-20-47-24)39(62)53-15-7-9-30(53)40(63)64)52-36(59)28(16-23-10-12-25(54)13-11-23)49-37(60)32(21(2)3)51-35(58)27(8-6-14-46-41(43)44)48-34(57)26(42)18-31(55)56/h10-13,19-22,26-30,32-33,54H,5-9,14-18,42H2,1-4H3,(H,45,47)(H,48,57)(H,49,60)(H,50,61)(H,51,58)(H,52,59)(H,55,56)(H,63,64)(H4,43,44,46)/t22-,26-,27-,28-,29-,30-,32-,33-/m0/s1",PVHLMTREZMEJCG-GDTLVBQBSA-N,Agonist,Agonist,,,,,pIC50,,8.16,,IC50,,6.9,,=,,,,12829792, MAS1,150,P30554,Mouse,angiotensin-(1-7),582,"Human, Mouse, Rat",123805,CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1[nH]cnc1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)CCCN=C(N)N)Cc1ccc(cc1)O)C,"InChI=1S/C41H62N12O11/c1-5-22(4)33(38(61)50-29(17-24-19-45-20-47-24)39(62)53-15-7-9-30(53)40(63)64)52-36(59)28(16-23-10-12-25(54)13-11-23)49-37(60)32(21(2)3)51-35(58)27(8-6-14-46-41(43)44)48-34(57)26(42)18-31(55)56/h10-13,19-22,26-30,32-33,54H,5-9,14-18,42H2,1-4H3,(H,45,47)(H,48,57)(H,49,60)(H,50,61)(H,51,58)(H,52,59)(H,55,56)(H,63,64)(H4,43,44,46)/t22-,26-,27-,28-,29-,30-,32-,33-/m0/s1",PVHLMTREZMEJCG-GDTLVBQBSA-N,Agonist,Agonist,,,,,pKi,,7.31,,Ki,,49.2,,=,,,,21670420, MAS1,150,P30554,Mouse,neuropeptide FF,1479,"Human, Mouse, Rat",123797,,,,Agonist,Full agonist,,,,,pEC50,,6.4,,EC50,,400.0,,=,,,,11551509, MAS1,150,P30554,Mouse,"[125I]angiotensin-(1-7) (human, mouse, rat)",5578,,123805,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O,"InChI=1S/C41H62N12O11/c1-5-22(4)33(38(61)50-29(17-24-19-45-20-47-24)39(62)53-15-7-9-30(53)40(63)64)52-36(59)28(16-23-10-12-25(54)13-11-23)49-37(60)32(21(2)3)51-35(58)27(8-6-14-46-41(43)44)48-34(57)26(42)18-31(55)56/h10-13,19-22,26-30,32-33,54H,5-9,14-18,42H2,1-4H3,(H,45,47)(H,48,57)(H,49,60)(H,50,61)(H,51,58)(H,52,59)(H,55,56)(H,63,64)(H4,43,44,46)/t22-,26-,27-,28-,29-,30-,32-,33-/m0/s1",PVHLMTREZMEJCG-GDTLVBQBSA-N,Agonist,Full agonist,,,,,pKd,,9.08,,Kd,,0.83,,=,,,,12829792, MAS1,150,P30554,Mouse,AVE 0991,5579,,9851724,CCNC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1c(nc(c1C=O)OC)c1ccccc1)CC(C)C,"InChI=1S/C29H32N4O5S2/c1-5-30-29(35)32-40(36,37)28-24(16-23(39-28)15-19(2)3)21-13-11-20(12-14-21)17-33-25(18-34)27(38-4)31-26(33)22-9-7-6-8-10-22/h6-14,16,18-19H,5,15,17H2,1-4H3,(H2,30,32,35)",QTOZBSNPDCWHPV-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pIC50,,7.32,,IC50,,47.5,,=,,,,15326087, MAS1,150,P30554,Mouse,[D-Ala7]-angiotensin(1-7),6081,,,,,,Antagonist,Antagonist,,,,,pIC50,,9.52,,IC50,,0.3,,=,,,,12829792, MAS1,150,P30554,Mouse,[D-Ala7]-angiotensin(1-7),6081,,,,,,Antagonist,Antagonist,,,,,pKi,,8.3,,Ki,,4.96,,=,,,,21670420, MAS1,150,P12526,Rat,MBP7,7038,,155817498,CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)O,"InChI=1S/C41H78N16O11/c1-21(2)18-28(56-36(64)27(13-14-31(44)59)52-32(60)23(5)51-33(61)24(43)10-6-7-15-42)37(65)54-25(11-8-16-49-40(45)46)34(62)53-26(12-9-17-50-41(47)48)35(63)55-29(19-22(3)4)38(66)57-30(20-58)39(67)68/h21-30,58H,6-20,42-43H2,1-5H3,(H2,44,59)(H,51,61)(H,52,60)(H,53,62)(H,54,65)(H,55,63)(H,56,64)(H,57,66)(H,67,68)(H4,45,46,49)(H4,47,48,50)/t23-,24-,25-,26-,27-,28-,29-,30-/m0/s1",NZCFITBCFLGDFN-JEDGRRCBSA-N,Agonist,Full agonist,,,,,pEC50,,4.44,,EC50,,36410.0,,=,,,,16336942, MAS1,150,P04201,Human,AR234960,7039,,89560738,COc1cc(ccc1S(=O)(=O)N1CC(C(C1)c1cccc(c1)F)CN1CCN(CC1)c1ccccn1)[N+](=O)[O-],"InChI=1S/C27H30FN5O5S/c1-38-25-16-23(33(34)35)8-9-26(25)39(36,37)32-18-21(24(19-32)20-5-4-6-22(28)15-20)17-30-11-13-31(14-12-30)27-7-2-3-10-29-27/h2-10,15-16,21,24H,11-14,17-19H2,1H3",TUSCHIFEASZBBF-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pEC50,6.46,,6.14,EC50,720.0,,350.0,=,,,,22003054, MAS1,150,P12526,Rat,AR234960,7039,,89560738,COc1cc(ccc1S(=O)(=O)N1CC(C(C1)c1cccc(c1)F)CN1CCN(CC1)c1ccccn1)[N+](=O)[O-],"InChI=1S/C27H30FN5O5S/c1-38-25-16-23(33(34)35)8-9-26(25)39(36,37)32-18-21(24(19-32)20-5-4-6-22(28)15-20)17-30-11-13-31(14-12-30)27-7-2-3-10-29-27/h2-10,15-16,21,24H,11-14,17-19H2,1H3",TUSCHIFEASZBBF-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pEC50,6.77,,5.77,EC50,1710.0,,170.0,=,,,,22003054, MAS1,150,P04201,Human,CGEN-857,7040,,155817499,CSCC[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)O)C(C)C,"InChI=1S/C94H144N32O21S2/c1-48(2)35-64(81(136)121-68(36-53-19-10-9-11-20-53)90(145)125-32-17-26-71(125)87(142)112-50(5)74(129)110-51(6)75(130)117-66(38-55-41-102-46-108-55)84(139)116-63(25-16-31-106-94(100)101)89(144)126-33-18-27-72(126)91(146)147)120-88(143)73(49(3)4)124-76(131)52(7)111-78(133)60(23-14-29-104-92(96)97)115-85(140)69(44-128)122-82(137)65(37-54-40-107-59-22-13-12-21-57(54)59)118-79(134)61(24-15-30-105-93(98)99)114-83(138)67(39-56-42-103-47-109-56)119-86(141)70(45-148)123-80(135)62(28-34-149-8)113-77(132)58(95)43-127/h9-13,19-22,40-42,46-52,58,60-73,107,127-128,148H,14-18,23-39,43-45,95H2,1-8H3,(H,102,108)(H,103,109)(H,110,129)(H,111,133)(H,112,142)(H,113,132)(H,114,138)(H,115,140)(H,116,139)(H,117,130)(H,118,134)(H,119,141)(H,120,143)(H,121,136)(H,122,137)(H,123,135)(H,124,131)(H,146,147)(H4,96,97,104)(H4,98,99,105)(H4,100,101,106)/t50-,51-,52-,58-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1",HPWUNEYLOMSFEY-HVUBXCGRSA-N,Agonist,Full agonist,,,,,pEC50,,6.0,,EC50,,1000.0,,=,,,,18854305|20479330, MAS1,150,P04201,Human,CGEN-856,7041,,155817500,CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O,"InChI=1S/C135H217N45O32S/c1-10-74(8)107(179-125(207)100(70-213)178-121(203)94(63-78-41-45-80(181)46-42-78)161-103(184)68-159-111(193)91(58-71(2)3)172-109(191)82(138)61-76-28-13-11-14-29-76)127(209)176-96(64-79-43-47-81(182)48-44-79)123(205)174-93(60-73(6)7)120(202)175-97(65-102(139)183)124(206)170-88(37-24-54-155-133(146)147)116(198)164-84(32-17-19-49-136)112(194)165-86(35-22-52-153-131(142)143)114(196)163-83(34-21-51-152-130(140)141)110(192)158-69-104(185)162-98(66-105(186)187)128(210)180-57-27-40-101(180)126(208)160-75(9)108(190)171-95(62-77-30-15-12-16-31-77)122(204)168-85(33-18-20-50-137)113(195)166-87(36-23-53-154-132(144)145)115(197)167-89(38-25-55-156-134(148)149)117(199)173-92(59-72(4)5)119(201)169-90(39-26-56-157-135(150)151)118(200)177-99(129(211)212)67-106(188)189/h11-16,28-31,41-48,71-75,82-101,107,181-182,213H,10,17-27,32-40,49-70,136-138H2,1-9H3,(H2,139,183)(H,158,192)(H,159,193)(H,160,208)(H,161,184)(H,162,185)(H,163,196)(H,164,198)(H,165,194)(H,166,195)(H,167,197)(H,168,204)(H,169,201)(H,170,206)(H,171,190)(H,172,191)(H,173,199)(H,174,205)(H,175,202)(H,176,209)(H,177,200)(H,178,203)(H,179,207)(H,186,187)(H,188,189)(H,211,212)(H4,140,141,152)(H4,142,143,153)(H4,144,145,154)(H4,146,147,155)(H4,148,149,156)(H4,150,151,157)/t74-,75-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,107-/m0/s1",SNXBDZJJBKGJKY-CBQXUBDJSA-N,Agonist,Full agonist,,,,,pEC50,,6.24,,EC50,,570.0,,=,,,,18854305|20479330, MAS1,150,P04201,Human,AR244555,7042,,59004159,C=CCCN1CCC2(CC1)CN(c1c2cc(Cl)cc1)C(=O)c1c(F)cccc1F,"InChI=1S/C23H23ClF2N2O/c1-2-3-11-27-12-9-23(10-13-27)15-28(20-8-7-16(24)14-17(20)23)22(29)21-18(25)5-4-6-19(21)26/h2,4-8,14H,1,3,9-13,15H2",QKPSTNGNDWHYCH-UHFFFAOYSA-N,Antagonist,Inverse agonist,,,,,pIC50,,6.73,,IC50,,186.0,,=,,,,22003054, MAS1,150,P12526,Rat,AR244555,7042,,59004159,C=CCCN1CCC2(CC1)CN(c1c2cc(Cl)cc1)C(=O)c1c(F)cccc1F,"InChI=1S/C23H23ClF2N2O/c1-2-3-11-27-12-9-23(10-13-27)15-28(20-8-7-16(24)14-17(20)23)22(29)21-18(25)5-4-6-19(21)26/h2,4-8,14H,1,3,9-13,15H2",QKPSTNGNDWHYCH-UHFFFAOYSA-N,Antagonist,Inverse agonist,,,,,pIC50,,6.46,,IC50,,348.0,,=,,,,22003054, MAS1,150,P04201,Human,AR305352,7043,,,,,,Antagonist,Inverse agonist,,,,,pIC50,,6.78,,IC50,,166.0,,=,,,,22003054, MAS1,150,P12526,Rat,AR305352,7043,,,,,,Antagonist,Inverse agonist,,,,,pIC50,,6.49,,IC50,,320.0,,=,,,,22003054, MAS1,150,P04201,Human,AR234958,11279,,154733032,COc1cc(ccc1S(=O)(=O)N1CC(C(C1)c1cccc(c1)F)CN1CCN(CC1)c1ccc(cc1)F)[N+](=O)[O-],"InChI=1S/C28H30F2N4O5S/c1-39-27-16-25(34(35)36)9-10-28(27)40(37,38)33-18-21(26(19-33)20-3-2-4-23(30)15-20)17-31-11-13-32(14-12-31)24-7-5-22(29)6-8-24/h2-10,15-16,21,26H,11-14,17-19H2,1H3",YSSZKXGYBVLEJP-UHFFFAOYSA-N,Agonist,Agonist,,,,,pEC50,,7.02,,EC50,,96.0,,=,,,,29928987, MAS1,150,P04201,Human,AR291903,11280,,15983171,Fc1cccc(c1C(=O)N1CC2(c3c1ccc(c3)C(C)(C)C)CCN(CC2)CCC(F)(F)F)F,"InChI=1S/C26H29F5N2O/c1-24(2,3)17-7-8-21-18(15-17)25(9-12-32(13-10-25)14-11-26(29,30)31)16-33(21)23(34)22-19(27)5-4-6-20(22)28/h4-8,15H,9-14,16H2,1-3H3",PKSMEKUMTYWBCL-UHFFFAOYSA-N,Antagonist,Inverse agonist,,,,,pEC50,,8.0,,EC50,,10.0,,=,,,,29928987,