Compile Data Set for Download or QSAR
Found 1287 with Last Name = 'hattori' and Initial = 'k'
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50165949(C-Phenyl-N-{3-[2-((S)-5-phenyl-4-phenyl-oxazol-2-y...)
Show SMILES O=C(NS(=O)(=O)Cc1ccccc1)c1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
Show InChI InChI=1S/C36H32N2O4S/c39-35(38-43(40,41)25-26-13-4-1-5-14-26)31-21-12-15-27(24-31)23-30-20-10-11-22-32(30)36-37-33(28-16-6-2-7-17-28)34(42-36)29-18-8-3-9-19-29/h1-9,12-19,21-22,24,30H,10-11,20,23,25H2,(H,38,39)/t30-/m0/s1
Affinity DataKi:  0.300nMAssay Description:Inhibition of [3H]-PGE-2 binding to human prostanoid EP4 receptorMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50165945(CHEMBL371394 | N-Benzyloxy-3-[(S)-2-(4,5-diphenyl-...)
Show SMILES O=C(NOCc1ccccc1)c1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
Show InChI InChI=1S/C36H32N2O3/c39-35(38-40-25-26-13-4-1-5-14-26)31-21-12-15-27(24-31)23-30-20-10-11-22-32(30)36-37-33(28-16-6-2-7-17-28)34(41-36)29-18-8-3-9-19-29/h1-9,12-19,21-22,24,30H,10-11,20,23,25H2,(H,38,39)/t30-/m0/s1
Affinity DataKi:  0.680nMAssay Description:Inhibition of [3H]-PGE-2 binding to human prostanoid EP4 receptorMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Rattus norvegicus)
Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50165949(C-Phenyl-N-{3-[2-((S)-5-phenyl-4-phenyl-oxazol-2-y...)
Show SMILES O=C(NS(=O)(=O)Cc1ccccc1)c1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
Show InChI InChI=1S/C36H32N2O4S/c39-35(38-43(40,41)25-26-13-4-1-5-14-26)31-21-12-15-27(24-31)23-30-20-10-11-22-32(30)36-37-33(28-16-6-2-7-17-28)34(42-36)29-18-8-3-9-19-29/h1-9,12-19,21-22,24,30H,10-11,20,23,25H2,(H,38,39)/t30-/m0/s1
Affinity DataKi:  0.740nMAssay Description:Inhibition of rat prostanoid EP4 receptorMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50165948(6-{(S)-2-[(Benzofuran-2-carbonyl)-amino]-5-benzylo...)
Show SMILES OC(=O)CCCCCNC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C28H33N3O7/c32-25(33)15-5-2-8-16-29-26(34)22(31-27(35)24-18-21-12-6-7-14-23(21)38-24)13-9-17-30-28(36)37-19-20-10-3-1-4-11-20/h1,3-4,6-7,10-12,14,18,22H,2,5,8-9,13,15-17,19H2,(H,29,34)(H,30,36)(H,31,35)(H,32,33)/t22-/m0/s1
Affinity DataKi:  0.910nMAssay Description:Inhibition of [3H]-PGE-2 binding to human prostanoid EP4 receptorMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220612(3-amino-N-(((1s,4s)-4-(2-phenoxyethyl)cyclohexyl)m...)
Show SMILES Nc1[nH]ncc1C(=O)NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1
Show InChI InChI=1S/C19H26N4O2/c20-18-17(13-22-23-18)19(24)21-12-15-8-6-14(7-9-15)10-11-25-16-4-2-1-3-5-16/h1-5,13-15H,6-12H2,(H,21,24)(H3,20,22,23)/t14-,15+
Affinity DataKi:  3.70nMAssay Description:Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220606(CHEMBL249093 | N-(((1s,4s)-4-(2-phenoxyethyl)cyclo...)
Show SMILES O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1cn[nH]c1
Show InChI InChI=1S/C19H25N3O2/c23-19(17-13-21-22-14-17)20-12-16-8-6-15(7-9-16)10-11-24-18-4-2-1-3-5-18/h1-5,13-16H,6-12H2,(H,20,23)(H,21,22)/t15-,16+
Affinity DataKi:  4.20nMAssay Description:Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membraneMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Rattus norvegicus)
Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50165948(6-{(S)-2-[(Benzofuran-2-carbonyl)-amino]-5-benzylo...)
Show SMILES OC(=O)CCCCCNC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C28H33N3O7/c32-25(33)15-5-2-8-16-29-26(34)22(31-27(35)24-18-21-12-6-7-14-23(21)38-24)13-9-17-30-28(36)37-19-20-10-3-1-4-11-20/h1,3-4,6-7,10-12,14,18,22H,2,5,8-9,13,15-17,19H2,(H,29,34)(H,30,36)(H,31,35)(H,32,33)/t22-/m0/s1
Affinity DataKi:  5.10nMAssay Description:Inhibition of rat prostanoid EP4 receptorMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50165946(3-[(S)-2-(4,5-Diphenyl-oxazol-2-yl)-cyclohex-2-eny...)
Show SMILES OC(=O)c1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
Show InChI InChI=1S/C29H25NO3/c31-29(32)24-16-9-10-20(19-24)18-23-15-7-8-17-25(23)28-30-26(21-11-3-1-4-12-21)27(33-28)22-13-5-2-6-14-22/h1-6,9-14,16-17,19,23H,7-8,15,18H2,(H,31,32)/t23-/m0/s1
Affinity DataKi:  5.5nMAssay Description:Inhibition of [3H]-PGE-2 binding to human prostanoid EP4 receptorMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220611(6-hydroxy-N-(((1s,4s)-4-(2-phenoxyethyl)cyclohexyl...)
Show SMILES O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1ccc(=O)[nH]n1
Show InChI InChI=1S/C20H25N3O3/c24-19-11-10-18(22-23-19)20(25)21-14-16-8-6-15(7-9-16)12-13-26-17-4-2-1-3-5-17/h1-5,10-11,15-16H,6-9,12-14H2,(H,21,25)(H,23,24)/t15-,16+
Affinity DataKi:  5.60nMAssay Description:Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220592(CHEMBL248875 | N-(3-phenethoxybenzyl)-4-hydroxyben...)
Show SMILES Oc1ccc(cc1)C(=O)NCc1cccc(OCCc2ccccc2)c1
Show InChI InChI=1S/C22H21NO3/c24-20-11-9-19(10-12-20)22(25)23-16-18-7-4-8-21(15-18)26-14-13-17-5-2-1-3-6-17/h1-12,15,24H,13-14,16H2,(H,23,25)
Affinity DataKi:  5.60nMAssay Description:Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220608(2-oxo-N-(((1s,4s)-4-(2-phenoxyethyl)cyclohexyl)met...)
Show SMILES O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C25H30N2O3/c28-24-13-11-20-16-21(10-12-23(20)27-24)25(29)26-17-19-8-6-18(7-9-19)14-15-30-22-4-2-1-3-5-22/h1-5,10,12,16,18-19H,6-9,11,13-15,17H2,(H,26,29)(H,27,28)/t18-,19+
Affinity DataKi:  5.90nMAssay Description:Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membraneMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50168287(CHEMBL363800 | Sodium; {3-[(1R,2S,6S)-1-(4,5-diphe...)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCC[C@@H]3O[C@]23c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
Show InChI InChI=1S/C30H27NO5/c32-26(33)19-34-24-15-7-9-20(18-24)17-23-14-8-16-25-30(23,36-25)29-31-27(21-10-3-1-4-11-21)28(35-29)22-12-5-2-6-13-22/h1-7,9-13,15,18,23,25H,8,14,16-17,19H2,(H,32,33)/p-1/t23-,25-,30+/m0/s1
Affinity DataKi:  6.10nMAssay Description:Inhibition of [3H]-Iloprost binding to human Prostanoid IP receptorMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM23954(5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydro...)
Show SMILES CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C/CCCC(O)=O
Show InChI InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
Affinity DataKi:  6.5nMAssay Description:Ability to inhibit binding of [3H]iloprost to cloned human prostaglandin I2 receptorMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM23954(5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydro...)
Show SMILES CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C/CCCC(O)=O
Show InChI InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1
Affinity DataKi:  6.5nMAssay Description:In vitro Prostacyclin (PGI-2) receptor binding assay was determined based on displacement of [3H]-Iloprost radioligand from cloned human IP receptorMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220603(4-hydroxy-N-(((1s,4s)-4-(phenoxymethyl)cyclohexyl)...)
Show SMILES Oc1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](COc2ccccc2)CC1
Show InChI InChI=1S/C21H25NO3/c23-19-12-10-18(11-13-19)21(24)22-14-16-6-8-17(9-7-16)15-25-20-4-2-1-3-5-20/h1-5,10-13,16-17,23H,6-9,14-15H2,(H,22,24)/t16-,17+
Affinity DataKi:  6.80nMAssay Description:Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220602(CHEMBL249307 | N-(((1s,4s)-4-(2-phenoxyethyl)cyclo...)
Show SMILES O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1cc[nH]c1
Show InChI InChI=1S/C20H26N2O2/c23-20(18-10-12-21-15-18)22-14-17-8-6-16(7-9-17)11-13-24-19-4-2-1-3-5-19/h1-5,10,12,15-17,21H,6-9,11,13-14H2,(H,22,23)/t16-,17+
Affinity DataKi:  6.80nMAssay Description:Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membraneMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50165951(6-{(S)-2-[(Benzofuran-2-carbonyl)-amino]-6-benzylo...)
Show SMILES OC(=O)CCCCCNC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C29H35N3O7/c33-26(34)16-5-2-9-17-30-27(35)23(32-28(36)25-19-22-13-6-7-15-24(22)39-25)14-8-10-18-31-29(37)38-20-21-11-3-1-4-12-21/h1,3-4,6-7,11-13,15,19,23H,2,5,8-10,14,16-18,20H2,(H,30,35)(H,31,37)(H,32,36)(H,33,34)/t23-/m0/s1
Affinity DataKi:  8.40nMAssay Description:Inhibition of [3H]-PGE-2 binding to human prostanoid EP4 receptorMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220595(3,5-difluoro-4-hydroxy-N-(((1s,4s)-4-(2-phenoxyeth...)
Show SMILES Oc1c(F)cc(cc1F)C(=O)NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1
Show InChI InChI=1S/C22H25F2NO3/c23-19-12-17(13-20(24)21(19)26)22(27)25-14-16-8-6-15(7-9-16)10-11-28-18-4-2-1-3-5-18/h1-5,12-13,15-16,26H,6-11,14H2,(H,25,27)/t15-,16+
Affinity DataKi:  8.5nMAssay Description:Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membraneMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50167887((R)-2-(6-((diphenylcarbamoyloxy)methyl)-6-hydroxy-...)
Show SMILES OC(=O)COc1cccc2C[C@@](O)(COC(=O)N(c3ccccc3)c3ccccc3)CCc12
Show InChI InChI=1S/C26H25NO6/c28-24(29)17-32-23-13-7-8-19-16-26(31,15-14-22(19)23)18-33-25(30)27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,31H,14-18H2,(H,28,29)/t26-/m1/s1
Affinity DataKi:  8.90nMAssay Description:Displacement of [3H]iloprost from human Prostanoid IP receptorMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220591(CHEMBL249909 | N-(((1s,4s)-4-(2-phenoxyethyl)cyclo...)
Show SMILES O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1ccn[nH]1
Show InChI InChI=1S/C19H25N3O2/c23-19(18-10-12-21-22-18)20-14-16-8-6-15(7-9-16)11-13-24-17-4-2-1-3-5-17/h1-5,10,12,15-16H,6-9,11,13-14H2,(H,20,23)(H,21,22)/t15-,16+
Affinity DataKi:  8.90nMAssay Description:Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220598(6-oxo-N-(((1s,4s)-4-(2-phenoxyethyl)cyclohexyl)met...)
Show SMILES O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)C1NNC(=O)C=C1
Show InChI InChI=1S/C20H27N3O3/c24-19-11-10-18(22-23-19)20(25)21-14-16-8-6-15(7-9-16)12-13-26-17-4-2-1-3-5-17/h1-5,10-11,15-16,18,22H,6-9,12-14H2,(H,21,25)(H,23,24)/t15-,16+,18?
Affinity DataKi:  11nMAssay Description:Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membraneMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50167890(CHEMBL190497 | FR-193262 | Sodium; {(R)-5-[(R)-2-(...)
Show SMILES [O-]C(=O)COc1cccc2[C@@H](CCCc12)N1CCC[C@@H]1c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O4/c34-28(35)20-36-27-18-8-14-23-24(27)15-7-16-25(23)33-19-9-17-26(33)31-32-29(21-10-3-1-4-11-21)30(37-31)22-12-5-2-6-13-22/h1-6,8,10-14,18,25-26H,7,9,15-17,19-20H2,(H,34,35)/p-1/t25-,26-/m1/s1
Affinity DataKi:  12nMAssay Description:Displacement of [3H]iloprost from human Prostanoid IP receptorMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50167890(CHEMBL190497 | FR-193262 | Sodium; {(R)-5-[(R)-2-(...)
Show SMILES [O-]C(=O)COc1cccc2[C@@H](CCCc12)N1CCC[C@@H]1c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H30N2O4/c34-28(35)20-36-27-18-8-14-23-24(27)15-7-16-25(23)33-19-9-17-26(33)31-32-29(21-10-3-1-4-11-21)30(37-31)22-12-5-2-6-13-22/h1-6,8,10-14,18,25-26H,7,9,15-17,19-20H2,(H,34,35)/p-1/t25-,26-/m1/s1
Affinity DataKi:  12nMAssay Description:Ability to inhibit binding of [3H]iloprost to cloned human prostaglandin I2 receptorMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220599(3,5-difluoro-4-hydroxy-N-(((1s,4s)-4-(phenoxymethy...)
Show SMILES Oc1c(F)cc(cc1F)C(=O)NC[C@H]1CC[C@@H](COc2ccccc2)CC1
Show InChI InChI=1S/C21H23F2NO3/c22-18-10-16(11-19(23)20(18)25)21(26)24-12-14-6-8-15(9-7-14)13-27-17-4-2-1-3-5-17/h1-5,10-11,14-15,25H,6-9,12-13H2,(H,24,26)/t14-,15+
Affinity DataKi:  12nMAssay Description:Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220610(CHEMBL250108 | N-(((1s,4s)-4-(phenoxymethyl)cycloh...)
Show SMILES O=C(NC[C@H]1CC[C@@H](COc2ccccc2)CC1)c1cn[nH]c1
Show InChI InChI=1S/C18H23N3O2/c22-18(16-11-20-21-12-16)19-10-14-6-8-15(9-7-14)13-23-17-4-2-1-3-5-17/h1-5,11-12,14-15H,6-10,13H2,(H,19,22)(H,20,21)/t14-,15+
Affinity DataKi:  14nMAssay Description:Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220597(CHEMBL398356 | N-(((1s,4s)-4-(2-phenoxyethyl)cyclo...)
Show SMILES O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H27N3O2/c27-23(19-10-11-22-20(14-19)16-25-26-22)24-15-18-8-6-17(7-9-18)12-13-28-21-4-2-1-3-5-21/h1-5,10-11,14,16-18H,6-9,12-13,15H2,(H,24,27)(H,25,26)/t17-,18+
Affinity DataKi:  15nMAssay Description:Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220601(CHEMBL400917 | N-benzyl-3-{[(4-hydroxybenzoyl)amin...)
Show SMILES Oc1ccc(cc1)C(=O)NCc1cccc(c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C22H20N2O3/c25-20-11-9-18(10-12-20)21(26)24-15-17-7-4-8-19(13-17)22(27)23-14-16-5-2-1-3-6-16/h1-13,25H,14-15H2,(H,23,27)(H,24,26)
Affinity DataKi:  15nMAssay Description:Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membraneMore data for this Ligand-Target Pair
TargetCoagulation factor VII(Homo sapiens (Human))
Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50272503((2R,3S)-3-Methyl-2-phenylmethanesulfonylamino-pent...)
Show SMILES CC[C@H](C)[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C26H37N5O4S2/c1-4-18(2)23(31-37(34,35)17-20-8-6-5-7-9-20)26(33)30-22(14-15-36-3)25(32)29-16-19-10-12-21(13-11-19)24(27)28/h5-13,18,22-23,31H,4,14-17H2,1-3H3,(H3,27,28)(H,29,32)(H,30,33)/t18-,22-,23+/m0/s1
Affinity DataKi:  15nMAssay Description:Inhibition of human factor 7a-tissue factor complexMore data for this Ligand-Target Pair
TargetCoagulation factor XI(Homo sapiens (Human))
Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50272558(4-({(1S,2S)-1-[(S)-1-(4-Carbamimidoyl-benzylcarbam...)
Show SMILES CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccc(cc1)C(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H36N6O7S/c1-3-16(2)23(33-41(39,40)15-18-6-10-20(11-7-18)27(37)38)26(36)32-21(12-13-22(28)34)25(35)31-14-17-4-8-19(9-5-17)24(29)30/h4-11,16,21,23,33H,3,12-15H2,1-2H3,(H2,28,34)(H3,29,30)(H,31,35)(H,32,36)(H,37,38)/t16-,21-,23-/m0/s1
Affinity DataKi:  17nMAssay Description:Inhibition of human factor 11aMore data for this Ligand-Target Pair
TargetCoagulation factor VII(Homo sapiens (Human))
Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50272539(3-({(1S,2S)-1-[(S)-1-(4-Carbamimidoyl-benzylcarbam...)
Show SMILES CC[C@H](C)[C@H](NS(=O)(=O)Cc1cccc(c1)C(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H36N6O7S/c1-3-16(2)23(33-41(39,40)15-18-5-4-6-20(13-18)27(37)38)26(36)32-21(11-12-22(28)34)25(35)31-14-17-7-9-19(10-8-17)24(29)30/h4-10,13,16,21,23,33H,3,11-12,14-15H2,1-2H3,(H2,28,34)(H3,29,30)(H,31,35)(H,32,36)(H,37,38)/t16-,21-,23-/m0/s1
Affinity DataKi:  18nMAssay Description:Inhibition of human factor 7a-tissue factor complexMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220607(2-oxo-N-(((1s,4s)-4-(phenoxymethyl)cyclohexyl)meth...)
Show SMILES O=C(NC[C@H]1CC[C@@H](COc2ccccc2)CC1)c1ccc2NC(=O)CCc2c1
Show InChI InChI=1S/C24H28N2O3/c27-23-13-11-19-14-20(10-12-22(19)26-23)24(28)25-15-17-6-8-18(9-7-17)16-29-21-4-2-1-3-5-21/h1-5,10,12,14,17-18H,6-9,11,13,15-16H2,(H,25,28)(H,26,27)/t17-,18+
Affinity DataKi:  18nMAssay Description:Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membraneMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 2B(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50220590(4-hydroxy-N-(((1s,4s)-4-(2-phenoxyethyl)cyclohexyl...)
Show SMILES Oc1ccc(cc1)C(=O)NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1
Show InChI InChI=1S/C22H27NO3/c24-20-12-10-19(11-13-20)22(25)23-16-18-8-6-17(7-9-18)14-15-26-21-4-2-1-3-5-21/h1-5,10-13,17-18,24H,6-9,14-16H2,(H,23,25)/t17-,18+
Affinity DataKi:  20nMAssay Description:Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membraneMore data for this Ligand-Target Pair
TargetCoagulation factor VII(Homo sapiens (Human))
Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50272576(3-({(1S,2S)-1-[(S)-1-(4-Carbamimidoyl-benzylcarbam...)
Show SMILES CC[C@H](C)[C@H](NS(=O)(=O)Cc1cccc(c1)C(O)=O)C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H37N5O6S2/c1-4-17(2)23(32-40(37,38)16-19-6-5-7-21(14-19)27(35)36)26(34)31-22(12-13-39-3)25(33)30-15-18-8-10-20(11-9-18)24(28)29/h5-11,14,17,22-23,32H,4,12-13,15-16H2,1-3H3,(H3,28,29)(H,30,33)(H,31,34)(H,35,36)/t17-,22-,23-/m0/s1
Affinity DataKi:  20nMAssay Description:Inhibition of human factor 7a-tissue factor complexMore data for this Ligand-Target Pair
TargetCoagulation factor VII(Homo sapiens (Human))
Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50272480((S)-2-((2R,3S)-3-Methyl-2-phenylmethanesulfonylami...)
Show SMILES CC[C@H](C)[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C26H36N6O5S/c1-3-17(2)23(32-38(36,37)16-19-7-5-4-6-8-19)26(35)31-21(13-14-22(27)33)25(34)30-15-18-9-11-20(12-10-18)24(28)29/h4-12,17,21,23,32H,3,13-16H2,1-2H3,(H2,27,33)(H3,28,29)(H,30,34)(H,31,35)/t17-,21-,23+/m0/s1
Affinity DataKi:  25nMAssay Description:Inhibition of human factor 7a-tissue factor complexMore data for this Ligand-Target Pair
TargetCoagulation factor VII(Homo sapiens (Human))
Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50272560(3-({(1S,2R)-1-[(S)-1-(4-Carbamimidoyl-benzylcarbam...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NS(=O)(=O)Cc1cccc(c1)C(O)=O)[C@@H](C)O)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H33N5O7S2/c1-15(31)21(30-39(36,37)14-17-4-3-5-19(12-17)25(34)35)24(33)29-20(10-11-38-2)23(32)28-13-16-6-8-18(9-7-16)22(26)27/h3-9,12,15,20-21,30-31H,10-11,13-14H2,1-2H3,(H3,26,27)(H,28,32)(H,29,33)(H,34,35)/t15-,20+,21+/m1/s1
Affinity DataKi:  30nMAssay Description:Inhibition of human factor 7a-tissue factor complexMore data for this Ligand-Target Pair
TargetCoagulation factor XI(Homo sapiens (Human))
Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50272539(3-({(1S,2S)-1-[(S)-1-(4-Carbamimidoyl-benzylcarbam...)
Show SMILES CC[C@H](C)[C@H](NS(=O)(=O)Cc1cccc(c1)C(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H36N6O7S/c1-3-16(2)23(33-41(39,40)15-18-5-4-6-20(13-18)27(37)38)26(36)32-21(11-12-22(28)34)25(35)31-14-17-7-9-19(10-8-17)24(29)30/h4-10,13,16,21,23,33H,3,11-12,14-15H2,1-2H3,(H2,28,34)(H3,29,30)(H,31,35)(H,32,36)(H,37,38)/t16-,21-,23-/m0/s1
Affinity DataKi:  33nMAssay Description:Inhibition of human factor 11aMore data for this Ligand-Target Pair
TargetCoagulation factor VII(Homo sapiens (Human))
Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50272558(4-({(1S,2S)-1-[(S)-1-(4-Carbamimidoyl-benzylcarbam...)
Show SMILES CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccc(cc1)C(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H36N6O7S/c1-3-16(2)23(33-41(39,40)15-18-6-10-20(11-7-18)27(37)38)26(36)32-21(12-13-22(28)34)25(35)31-14-17-4-8-19(9-5-17)24(29)30/h4-11,16,21,23,33H,3,12-15H2,1-2H3,(H2,28,34)(H3,29,30)(H,31,35)(H,32,36)(H,37,38)/t16-,21-,23-/m0/s1
Affinity DataKi:  35nMAssay Description:Inhibition of human factor 7a-tissue factor complexMore data for this Ligand-Target Pair
TargetCoagulation factor VII(Homo sapiens (Human))
Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50272502((2R,3S)-3-Methyl-2-(propane-1-sulfonylamino)-penta...)
Show SMILES CCCS(=O)(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C22H37N5O4S2/c1-5-13-33(30,31)27-19(15(3)6-2)22(29)26-18(11-12-32-4)21(28)25-14-16-7-9-17(10-8-16)20(23)24/h7-10,15,18-19,27H,5-6,11-14H2,1-4H3,(H3,23,24)(H,25,28)(H,26,29)/t15-,18-,19+/m0/s1
Affinity DataKi:  35nMAssay Description:Inhibition of human factor 7a-tissue factor complexMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50168291(CHEMBL363350 | Sodium; {3-[(S)-2-(4,5-diphenyl-oxa...)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
Show InChI InChI=1S/C29H25NO4/c31-26(32)19-33-24-15-7-9-20(18-24)17-23-14-8-16-25(23)29-30-27(21-10-3-1-4-11-21)28(34-29)22-12-5-2-6-13-22/h1-7,9-13,15-16,18,23H,8,14,17,19H2,(H,31,32)/p-1/t23-/m0/s1
Affinity DataKi:  41nMAssay Description:Inhibition of [3H]-Iloprost binding to human Prostanoid IP receptorMore data for this Ligand-Target Pair
TargetCoagulation factor VII(Homo sapiens (Human))
Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50272537((2R,3R)-N-[(S)-1-(4-Carbamimidoyl-benzylcarbamoyl)...)
Show SMILES CSCC[C@H](NC(=O)[C@H](NS(=O)(=O)Cc1ccccc1)[C@@H](C)O)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H33N5O5S2/c1-16(30)21(29-36(33,34)15-18-6-4-3-5-7-18)24(32)28-20(12-13-35-2)23(31)27-14-17-8-10-19(11-9-17)22(25)26/h3-11,16,20-21,29-30H,12-15H2,1-2H3,(H3,25,26)(H,27,31)(H,28,32)/t16-,20+,21-/m1/s1
Affinity DataKi:  42nMAssay Description:Inhibition of human factor 7a-tissue factor complexMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50165943((S)-2-{(S)-5-Benzyloxycarbonylamino-2-[(1H-indole-...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C31H32N4O6/c36-28(35-27(30(38)39)18-21-10-3-1-4-11-21)25(34-29(37)26-19-23-14-7-8-15-24(23)33-26)16-9-17-32-31(40)41-20-22-12-5-2-6-13-22/h1-8,10-15,19,25,27,33H,9,16-18,20H2,(H,32,40)(H,34,37)(H,35,36)(H,38,39)/t25-,27-/m0/s1
Affinity DataKi:  43nMAssay Description:Inhibition of [3H]-PGE-2 binding to human prostanoid EP4 receptorMore data for this Ligand-Target Pair
TargetCoagulation factor VII(Homo sapiens (Human))
Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50272538(2-({(1S,2S)-1-[(S)-1-(4-Carbamimidoyl-benzylcarbam...)
Show SMILES CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccccc1C(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H36N6O7S/c1-3-16(2)23(33-41(39,40)15-19-6-4-5-7-20(19)27(37)38)26(36)32-21(12-13-22(28)34)25(35)31-14-17-8-10-18(11-9-17)24(29)30/h4-11,16,21,23,33H,3,12-15H2,1-2H3,(H2,28,34)(H3,29,30)(H,31,35)(H,32,36)(H,37,38)/t16-,21-,23-/m0/s1
Affinity DataKi:  43nMAssay Description:Inhibition of human factor 7a-tissue factor complexMore data for this Ligand-Target Pair
TargetProstaglandin E2 receptor EP4 subtype(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50165944(CHEMBL189378 | {3-[(S)-2-(4,5-Diphenyl-oxazol-2-yl...)
Show SMILES OC(=O)Cc1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
Show InChI InChI=1S/C30H27NO3/c32-27(33)20-22-11-9-10-21(18-22)19-25-16-7-8-17-26(25)30-31-28(23-12-3-1-4-13-23)29(34-30)24-14-5-2-6-15-24/h1-6,9-15,17-18,25H,7-8,16,19-20H2,(H,32,33)/t25-/m0/s1
Affinity DataKi:  50nMAssay Description:Inhibition of [3H]-PGE-2 binding to human prostanoid EP4 receptorMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50370452(CHEMBL132589 | FR-181157)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1/t24-/m0/s1
Affinity DataKi:  54nMAssay Description:Ability to inhibit binding of [3H]iloprost to cloned human prostaglandin I2 receptorMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50136234(CHEMBL132589 | FR-181157 | Sodium; {3-[(R)-2-(4,5-...)
Show SMILES [O-]C(=O)COc1cccc(CC2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1
Affinity DataKi:  54nMAssay Description:Inhibition of [3H]-Iloprost binding to human prostanoid IP receptorMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50136234(CHEMBL132589 | FR-181157 | Sodium; {3-[(R)-2-(4,5-...)
Show SMILES [O-]C(=O)COc1cccc(CC2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1
Affinity DataKi:  54nMAssay Description:Inhibition of [3H]-Iloprost binding to human Prostanoid IP receptorMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50136234(CHEMBL132589 | FR-181157 | Sodium; {3-[(R)-2-(4,5-...)
Show SMILES [O-]C(=O)COc1cccc(CC2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1
Affinity DataKi:  54nMAssay Description:In vitro Prostacyclin (PGI-2) receptor binding assay was determined based on displacement of [3H]-Iloprost radioligand from cloned human IP receptorMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50370452(CHEMBL132589 | FR-181157)
Show SMILES [O-]C(=O)COc1cccc(C[C@@H]2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1/t24-/m0/s1
Affinity DataKi:  54nMAssay Description:Displacement of [3H]iloprost from human Prostanoid IP receptorMore data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50272503((2R,3S)-3-Methyl-2-phenylmethanesulfonylamino-pent...)
Show SMILES CC[C@H](C)[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C26H37N5O4S2/c1-4-18(2)23(31-37(34,35)17-20-8-6-5-7-9-20)26(33)30-22(14-15-36-3)25(32)29-16-19-10-12-21(13-11-19)24(27)28/h5-13,18,22-23,31H,4,14-17H2,1-3H3,(H3,27,28)(H,29,32)(H,30,33)/t18-,22-,23+/m0/s1
Affinity DataKi:  55nMAssay Description:Inhibition of human thrombinMore data for this Ligand-Target Pair
TargetProstacyclin receptor(Homo sapiens (Human))
Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50136234(CHEMBL132589 | FR-181157 | Sodium; {3-[(R)-2-(4,5-...)
Show SMILES [O-]C(=O)COc1cccc(CC2CCCC=C2c2nc(c(o2)-c2ccccc2)-c2ccccc2)c1
Show InChI InChI=1S/C30H27NO4/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33)/p-1
Affinity DataKi:  60nMAssay Description:Displacement of [3H]iloprost from cloned human PGI2 receptorMore data for this Ligand-Target Pair
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