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Compile Data Set for Download or QSAR

Found 951 hits with Last Name = 'suzuki' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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4.60n/an/an/an/an/an/an/an/a



Tokushima Research Institute

Curated by PDSP Ki Database




Life Sci 42: 1941-54 (1988)


Article DOI: 10.1016/0024-3205(88)90493-6
BindingDB Entry DOI: 10.7270/Q23J3BF5
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM82065
PNG
(CAS_163839 | NSC_163839 | OPC-4392)
Show SMILES Cc1cccc(N2CCN(CCCOc3ccc4ccc(=O)[nH]c4c3)CC2)c1C
Show InChI InChI=1S/C24H29N3O2/c1-18-5-3-6-23(19(18)2)27-14-12-26(13-15-27)11-4-16-29-21-9-7-20-8-10-24(28)25-22(20)17-21/h3,5-10,17H,4,11-16H2,1-2H3,(H,25,28)
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5.80n/an/an/an/an/an/an/an/a



Tokushima Research Institute

Curated by PDSP Ki Database




Life Sci 42: 1941-54 (1988)


Article DOI: 10.1016/0024-3205(88)90493-6
BindingDB Entry DOI: 10.7270/Q23J3BF5
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM11638
PNG
(CHEMBL26 | Compound 7 | N-[(1-ethylpyrrolidin-2-yl...)
Show SMILES CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
Show InChI InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
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150n/an/an/an/an/an/an/an/a



Tokushima Research Institute

Curated by PDSP Ki Database




Life Sci 42: 1941-54 (1988)


Article DOI: 10.1016/0024-3205(88)90493-6
BindingDB Entry DOI: 10.7270/Q23J3BF5
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192809
PNG
(CHEMBL3941914)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1
Show InChI InChI=1/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34)
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n/an/a 0.220n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192811
PNG
(CHEMBL3971502)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(Cl)cn2)n1
Show InChI InChI=1/C24H23ClN8OS2/c1-13-21(36-14(2)29-13)19-12-35-24(30-19)31-20-6-3-15(7-26-20)22(34)33-17-4-5-18(33)11-32(10-17)23-27-8-16(25)9-28-23/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,26,30,31)
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n/an/a 0.300n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192807
PNG
(CHEMBL3984947)
Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/OCC(F)(F)F)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r|
Show InChI InChI=1/C23H23F3N6O2S2/c1-12-20(36-13(2)28-12)18-10-35-22(29-18)30-19-6-3-14(9-27-19)21(33)32-16-4-5-17(32)8-15(7-16)31-34-11-23(24,25)26/h3,6,9-10,16-17H,4-5,7-8,11H2,1-2H3,(H,27,29,30)/b31-15-/t16-,17+/s2
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n/an/a 0.360n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192809
PNG
(CHEMBL3941914)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ncc(cn2)C(F)(F)F)n1
Show InChI InChI=1/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34)
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n/an/a 0.400n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of hypotonicity-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192804
PNG
(CHEMBL3933401)
Show SMILES COC(=O)N1CCN(C(C1)C(F)(F)F)C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1
Show InChI InChI=1/C21H21F3N6O3S2/c1-11-17(35-12(2)26-11)14-10-34-19(27-14)28-16-5-4-13(8-25-16)18(31)30-7-6-29(20(32)33-3)9-15(30)21(22,23)24/h4-5,8,10,15H,6-7,9H2,1-3H3,(H,25,27,28)
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n/an/a 0.570n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50195224
PNG
(CHEMBL3916240)
Show SMILES Cl.Cl.CC(C)CN([C@H]1CCCNC1)C(=O)c1cnc(nc1NCc1ccco1)C(C)(C)C |r|
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n/an/a 0.580n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin expressed in FreeStyle 293 expression system using recombinant human angiotensinogen as substrate preincubated ...


Bioorg Med Chem 24: 5771-5780 (2016)


Article DOI: 10.1016/j.bmc.2016.09.030
BindingDB Entry DOI: 10.7270/Q22V2J24
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434413
PNG
(CHEMBL2387447)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NCC(C)(C)C |r|
Show InChI InChI=1S/C25H41ClN4O3/c1-7-17(23(33)28-15-24(2,3)4)12-21(31)19(27)13-29-14-22(32)30(16-25(29,5)6)20-11-9-8-10-18(20)26/h8-11,17,19,21,31H,7,12-16,27H2,1-6H3,(H,28,33)/t17-,19+,21+/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434435
PNG
(CHEMBL2387557)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ccc(F)cn1 |r|
Show InChI InChI=1S/C26H35ClFN5O3/c1-16(2)18(25(36)31-23-10-9-17(28)12-30-23)11-22(34)20(29)13-32-14-24(35)33(15-26(32,3)4)21-8-6-5-7-19(21)27/h5-10,12,16,18,20,22,34H,11,13-15,29H2,1-4H3,(H,30,31,36)/t18-,20-,22-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434425
PNG
(CHEMBL2387567)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:4.4,2.2,28.29,wD:6.6,35.38,TLB:27:28:38.34.35:32.31.30,27:28:30:38.35.37,36:35:28:32.31.30,THB:34:33:30:38.35.37,34:35:28.33.32:30,37:35:28:32.31.30,37:31:28:38.34.35,(14.26,-52.83,;12.92,-53.6,;12.92,-55.14,;11.59,-55.9,;10.25,-55.13,;10.26,-53.59,;8.92,-55.9,;7.59,-55.13,;8.92,-57.44,;7.58,-58.21,;6.25,-57.44,;4.91,-58.21,;3.57,-57.44,;4.92,-59.75,;6.25,-60.52,;7.58,-59.75,;9.06,-60.14,;7.97,-61.23,;3.58,-60.53,;2.24,-59.76,;.92,-60.53,;.91,-62.08,;2.25,-62.85,;3.58,-62.08,;4.92,-62.85,;14.25,-55.91,;14.25,-57.45,;15.59,-55.14,;16.92,-55.91,;18.12,-54.64,;18.11,-53.15,;19.46,-52.67,;18.42,-53.9,;18.42,-55.49,;19.83,-56.06,;20.84,-54.78,;22.17,-55.55,;20.85,-53.25,;19.45,-55.13,)|
Show InChI InChI=1S/C30H45ClN4O4/c1-4-19(28(38)33-27-20-9-18-10-21(27)14-30(39,12-18)13-20)11-25(36)23(32)15-34-16-26(37)35(17-29(34,2)3)24-8-6-5-7-22(24)31/h5-8,18-21,23,25,27,36,39H,4,9-17,32H2,1-3H3,(H,33,38)/t18?,19-,20?,21?,23+,25+,27-,30-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192820
PNG
(CHEMBL3950646)
Show SMILES Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)N2C3CCC2CN(C3)c2ccc(Cl)cn2)n1
Show InChI InChI=1/C25H24ClN7OS2/c1-14-23(36-15(2)29-14)20-13-35-25(30-20)31-21-7-3-16(9-27-21)24(34)33-18-5-6-19(33)12-32(11-18)22-8-4-17(26)10-28-22/h3-4,7-10,13,18-19H,5-6,11-12H2,1-2H3,(H,27,30,31)
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n/an/a 0.900n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50387262
PNG
(CHEMBL2048702)
Show SMILES CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(C)C |r|
Show InChI InChI=1S/C25H41ClN4O3/c1-6-7-12-28-24(33)18(17(2)3)13-22(31)20(27)14-29-15-23(32)30(16-25(29,4)5)21-11-9-8-10-19(21)26/h8-11,17-18,20,22,31H,6-7,12-16,27H2,1-5H3,(H,28,33)/t18-,20-,22-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192808
PNG
(CHEMBL3915150)
Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/OC)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r|
Show InChI InChI=1/C22H24N6O2S2/c1-12-20(32-13(2)24-12)18-11-31-22(25-18)26-19-7-4-14(10-23-19)21(29)28-16-5-6-17(28)9-15(8-16)27-30-3/h4,7,10-11,16-17H,5-6,8-9H2,1-3H3,(H,23,25,26)/b27-15-/t16-,17+/s2
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Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434429
PNG
(CHEMBL2387563)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NCC(CC)(CC)CO |r|
Show InChI InChI=1S/C27H45ClN4O4/c1-6-19(25(36)30-16-27(7-2,8-3)18-33)13-23(34)21(29)14-31-15-24(35)32(17-26(31,4)5)22-12-10-9-11-20(22)28/h9-12,19,21,23,33-34H,6-8,13-18,29H2,1-5H3,(H,30,36)/t19-,21+,23+/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434434
PNG
(CHEMBL2387558)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ccc(F)cn1 |r|
Show InChI InChI=1S/C25H33ClFN5O3/c1-4-16(24(35)30-22-10-9-17(27)12-29-22)11-21(33)19(28)13-31-14-23(34)32(15-25(31,2)3)20-8-6-5-7-18(20)26/h5-10,12,16,19,21,33H,4,11,13-15,28H2,1-3H3,(H,29,30,35)/t16-,19+,21+/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434414
PNG
(CHEMBL2387446)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NCC(C)(C)C |r|
Show InChI InChI=1S/C26H43ClN4O3/c1-17(2)18(24(34)29-15-25(3,4)5)12-22(32)20(28)13-30-14-23(33)31(16-26(30,6)7)21-11-9-8-10-19(21)27/h8-11,17-18,20,22,32H,12-16,28H2,1-7H3,(H,29,34)/t18-,20-,22-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434412
PNG
(CHEMBL2387448)
Show SMILES C[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NCC(C)(C)C |r|
Show InChI InChI=1S/C24H39ClN4O3/c1-16(22(32)27-14-23(2,3)4)11-20(30)18(26)12-28-13-21(31)29(15-24(28,5)6)19-10-8-7-9-17(19)25/h7-10,16,18,20,30H,11-15,26H2,1-6H3,(H,27,32)/t16-,18+,20+/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434427
PNG
(CHEMBL2387565)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NCC1(CO)CCCCC1 |r|
Show InChI InChI=1S/C28H45ClN4O4/c1-4-20(26(37)31-17-28(19-34)12-8-5-9-13-28)14-24(35)22(30)15-32-16-25(36)33(18-27(32,2)3)23-11-7-6-10-21(23)29/h6-7,10-11,20,22,24,34-35H,4-5,8-9,12-19,30H2,1-3H3,(H,31,37)/t20-,22+,24+/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192779
PNG
(CHEMBL3957347)
Show SMILES [H][C@]12CC[C@]([H])(C\C(C1)=N/OC[C@@H](O)C(F)(F)F)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1 |r|
Show InChI InChI=1/C24H25F3N6O3S2/c1-12-21(38-13(2)29-12)18-11-37-23(30-18)31-20-6-3-14(9-28-20)22(35)33-16-4-5-17(33)8-15(7-16)32-36-10-19(34)24(25,26)27/h3,6,9,11,16-17,19,34H,4-5,7-8,10H2,1-2H3,(H,28,30,31)/b32-15-/t16-,17+,19+/s2
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Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434411
PNG
(CHEMBL2387449)
Show SMILES C[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1C)C(=O)NCC(C)(C)C |r|
Show InChI InChI=1S/C25H41FN4O3/c1-16-8-9-18(26)11-20(16)30-15-25(6,7)29(13-22(30)32)12-19(27)21(31)10-17(2)23(33)28-14-24(3,4)5/h8-9,11,17,19,21,31H,10,12-15,27H2,1-7H3,(H,28,33)/t17-,19+,21+/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434423
PNG
(CHEMBL2387569)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@@](O)(C3)C2 |r,wU:4.4,2.2,28.29,35.38,wD:6.6,TLB:32:33:38:30.31.37,32:31:28.33.34:38,36:35:28:30.32.31,THB:27:28:30.32.31:34.35.38,27:28:38:30.31.37,37:31:28:34.35.38,37:35:28:30.32.31,(14.52,-3.69,;13.18,-4.46,;13.18,-6,;11.84,-6.77,;10.51,-5.99,;10.51,-4.45,;9.18,-6.76,;7.84,-5.99,;9.17,-8.3,;7.84,-9.07,;6.5,-8.3,;5.16,-9.07,;3.83,-8.31,;5.17,-10.61,;6.51,-11.38,;7.83,-10.61,;9.32,-11.01,;8.23,-12.09,;3.84,-11.39,;2.5,-10.62,;1.17,-11.4,;1.17,-12.94,;2.5,-13.71,;3.84,-12.94,;5.18,-13.71,;14.51,-6.77,;14.51,-8.31,;15.85,-6,;17.18,-6.77,;18.38,-5.5,;19.7,-5.99,;21.1,-5.64,;20.09,-6.92,;18.68,-6.35,;18.68,-4.76,;19.71,-3.53,;19.7,-1.99,;21.11,-4.11,;18.37,-4.01,)|
Show InChI InChI=1S/C30H45ClN4O4/c1-4-19(28(38)33-27-20-9-18-10-21(27)14-30(39,12-18)13-20)11-25(36)23(32)15-34-16-26(37)35(17-29(34,2)3)24-8-6-5-7-22(24)31/h5-8,18-21,23,25,27,36,39H,4,9-17,32H2,1-3H3,(H,33,38)/t18?,19-,20?,21?,23+,25+,27-,30+/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434428
PNG
(CHEMBL2387564)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NCC1(CO)CCCC1 |r|
Show InChI InChI=1S/C27H43ClN4O4/c1-4-19(25(36)30-16-27(18-33)11-7-8-12-27)13-23(34)21(29)14-31-15-24(35)32(17-26(31,2)3)22-10-6-5-9-20(22)28/h5-6,9-10,19,21,23,33-34H,4,7-8,11-18,29H2,1-3H3,(H,30,36)/t19-,21+,23+/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434424
PNG
(CHEMBL2387568)
Show SMILES C[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:3.3,1.0,27.28,wD:5.5,34.37,TLB:26:27:37.33.34:31.30.29,26:27:29:37.34.36,35:34:27:31.30.29,THB:33:32:29:37.34.36,33:34:27.32.31:29,36:34:27:31.30.29,36:30:27:37.33.34,(36.05,-54.18,;36.05,-55.72,;34.71,-56.49,;33.38,-55.72,;33.38,-54.18,;32.04,-56.49,;30.71,-55.71,;32.04,-58.03,;30.71,-58.79,;29.37,-58.03,;28.03,-58.8,;26.7,-58.03,;28.04,-60.33,;29.38,-61.1,;30.7,-60.33,;32.19,-60.73,;31.1,-61.82,;26.7,-61.11,;25.37,-60.35,;24.04,-61.12,;24.04,-62.66,;25.37,-63.43,;26.71,-62.66,;28.04,-63.43,;37.38,-56.49,;37.38,-58.03,;38.71,-55.73,;40.05,-56.5,;41.24,-55.22,;41.23,-53.74,;42.58,-53.26,;41.54,-54.49,;41.55,-56.08,;42.95,-56.64,;43.97,-55.37,;45.29,-56.13,;43.98,-53.84,;42.57,-55.71,)|
Show InChI InChI=1S/C29H43ClN4O4/c1-17(27(37)32-26-19-9-18-10-20(26)13-29(38,11-18)12-19)8-24(35)22(31)14-33-15-25(36)34(16-28(33,2)3)23-7-5-4-6-21(23)30/h4-7,17-20,22,24,26,35,38H,8-16,31H2,1-3H3,(H,32,37)/t17-,18?,19?,20?,22+,24+,26-,29-/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50195228
PNG
(CHEMBL3925242)
Show SMILES Cl.Cl.CC(C)CN(C1CCCNC1)C(=O)c1cnc(nc1NCc1ccco1)C(C)(C)C
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin expressed in FreeStyle 293 expression system using recombinant human angiotensinogen as substrate preincubated ...


Bioorg Med Chem 24: 5771-5780 (2016)


Article DOI: 10.1016/j.bmc.2016.09.030
BindingDB Entry DOI: 10.7270/Q22V2J24
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)
BDBM50434421
PNG
(CHEMBL2387571)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O |r,wU:4.4,2.2,wD:6.6,TLB:27:28:34.37.35:30.31.32,27:28:32:34.35.36,37:35:28.29.30:32,38:35:28:30.31.32,THB:37:29:32:34.35.36,36:35:28:30.31.32,36:31:28:34.37.35,(14.47,-18.32,;13.13,-19.09,;13.13,-20.63,;11.8,-21.4,;10.46,-20.63,;10.47,-19.09,;9.13,-21.39,;7.8,-20.62,;9.13,-22.93,;7.79,-23.7,;6.46,-22.93,;5.12,-23.7,;3.78,-22.94,;5.13,-25.24,;6.46,-26.01,;7.79,-25.24,;9.27,-25.64,;8.19,-26.73,;3.79,-26.02,;2.45,-25.26,;1.13,-26.03,;1.12,-27.57,;2.46,-28.34,;3.79,-27.57,;5.13,-28.34,;14.47,-21.4,;14.46,-22.94,;15.8,-20.63,;17.13,-21.41,;18.63,-20.99,;18.63,-19.39,;19.67,-18.17,;18.32,-18.64,;18.33,-20.13,;19.66,-20.62,;21.05,-20.27,;21.07,-18.74,;20.04,-21.55,;22.38,-21.04,;23.71,-20.27,;22.38,-22.58,)|
Show InChI InChI=1S/C31H46ClN5O4/c1-4-19(28(40)35-27-20-9-18-10-21(27)14-31(12-18,13-20)29(34)41)11-25(38)23(33)15-36-16-26(39)37(17-30(36,2)3)24-8-6-5-7-22(24)32/h5-8,18-21,23,25,27,38H,4,9-17,33H2,1-3H3,(H2,34,41)(H,35,40)/t18?,19-,20?,21?,23+,25+,27?,31?/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in cynomolgus monkey plasma after 1 hr by RIA


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434426
PNG
(CHEMBL2387566)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:5.5,3.3,29.30,wD:36.39,7.7,TLB:28:29:39.35.36:33.32.31,28:29:31:39.36.38,37:36:29:33.32.31,THB:35:34:31:39.36.38,35:36:29.34.33:31,38:36:29:33.32.31,38:32:29:39.35.36,(39.25,-40.47,;37.92,-41.24,;36.58,-40.47,;37.91,-42.78,;36.58,-43.55,;35.25,-42.78,;35.25,-41.24,;33.91,-43.55,;32.58,-42.77,;33.91,-45.09,;32.58,-45.86,;31.24,-45.09,;29.9,-45.86,;28.56,-45.09,;29.91,-47.4,;31.25,-48.16,;32.57,-47.39,;34.05,-47.79,;32.97,-48.88,;28.57,-48.17,;27.24,-47.41,;25.91,-48.18,;25.91,-49.72,;27.24,-50.5,;28.58,-49.72,;29.91,-50.49,;39.25,-43.55,;39.25,-45.09,;40.58,-42.79,;41.92,-43.55,;43.12,-42.28,;43.11,-40.79,;44.45,-40.31,;43.41,-41.55,;43.41,-43.13,;44.83,-43.7,;45.83,-42.42,;47.28,-42.94,;45.85,-40.89,;44.44,-42.77,)|
Show InChI InChI=1S/C31H47ClN4O4/c1-18(2)22(29(39)34-28-20-9-19-10-21(28)14-31(40,12-19)13-20)11-26(37)24(33)15-35-16-27(38)36(17-30(35,3)4)25-8-6-5-7-23(25)32/h5-8,18-22,24,26,28,37,40H,9-17,33H2,1-4H3,(H,34,39)/t19?,20?,21?,22-,24-,26-,28-,31-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434421
PNG
(CHEMBL2387571)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NC1C2CC3CC1CC(C3)(C2)C(N)=O |r,wU:4.4,2.2,wD:6.6,TLB:27:28:34.37.35:30.31.32,27:28:32:34.35.36,37:35:28.29.30:32,38:35:28:30.31.32,THB:37:29:32:34.35.36,36:35:28:30.31.32,36:31:28:34.37.35,(14.47,-18.32,;13.13,-19.09,;13.13,-20.63,;11.8,-21.4,;10.46,-20.63,;10.47,-19.09,;9.13,-21.39,;7.8,-20.62,;9.13,-22.93,;7.79,-23.7,;6.46,-22.93,;5.12,-23.7,;3.78,-22.94,;5.13,-25.24,;6.46,-26.01,;7.79,-25.24,;9.27,-25.64,;8.19,-26.73,;3.79,-26.02,;2.45,-25.26,;1.13,-26.03,;1.12,-27.57,;2.46,-28.34,;3.79,-27.57,;5.13,-28.34,;14.47,-21.4,;14.46,-22.94,;15.8,-20.63,;17.13,-21.41,;18.63,-20.99,;18.63,-19.39,;19.67,-18.17,;18.32,-18.64,;18.33,-20.13,;19.66,-20.62,;21.05,-20.27,;21.07,-18.74,;20.04,-21.55,;22.38,-21.04,;23.71,-20.27,;22.38,-22.58,)|
Show InChI InChI=1S/C31H46ClN5O4/c1-4-19(28(40)35-27-20-9-18-10-21(27)14-31(12-18,13-20)29(34)41)11-25(38)23(33)15-36-16-26(39)37(17-30(36,2)3)24-8-6-5-7-22(24)32/h5-8,18-21,23,25,27,38H,4,9-17,33H2,1-3H3,(H2,34,41)(H,35,40)/t18?,19-,20?,21?,23+,25+,27?,31?/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434446
PNG
(CHEMBL2387546)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C27H37ClN4O3/c1-18(2)20(26(35)30-19-10-6-5-7-11-19)14-24(33)22(29)15-31-16-25(34)32(17-27(31,3)4)23-13-9-8-12-21(23)28/h5-13,18,20,22,24,33H,14-17,29H2,1-4H3,(H,30,35)/t20-,22-,24-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434441
PNG
(CHEMBL2387551)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H36ClFN4O3/c1-17(2)20(26(36)31-19-11-9-18(29)10-12-19)13-24(34)22(30)14-32-15-25(35)33(16-27(32,3)4)23-8-6-5-7-21(23)28/h5-12,17,20,22,24,34H,13-16,30H2,1-4H3,(H,31,36)/t20-,22-,24-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50387268
PNG
(CHEMBL2048571)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NCC(C)(C)C(N)=O |r|
Show InChI InChI=1S/C26H42ClN5O4/c1-16(2)17(23(35)30-14-25(3,4)24(29)36)11-21(33)19(28)12-31-13-22(34)32(15-26(31,5)6)20-10-8-7-9-18(20)27/h7-10,16-17,19,21,33H,11-15,28H2,1-6H3,(H2,29,36)(H,30,35)/t17-,19-,21-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin


(Homo sapiens (Human))
BDBM50434438
PNG
(CHEMBL2387554)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C27H37ClN4O4/c1-5-18(26(35)30-19-10-12-20(36-4)13-11-19)14-24(33)22(29)15-31-16-25(34)32(17-27(31,2)3)23-9-7-6-8-21(23)28/h6-13,18,22,24,33H,5,14-17,29H2,1-4H3,(H,30,35)/t18-,22+,24+/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434448
PNG
(CHEMBL2387544)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,3.3,29.30,wD:7.7,32.34,(38.68,-25.48,;37.35,-26.25,;36.01,-25.48,;37.34,-27.79,;36.01,-28.56,;34.68,-27.79,;34.68,-26.25,;33.34,-28.56,;32.01,-27.78,;33.34,-30.1,;32.01,-30.86,;30.67,-30.09,;29.33,-30.87,;27.99,-30.1,;29.34,-32.4,;30.68,-33.17,;32,-32.4,;33.48,-32.8,;32.4,-33.89,;28,-33.18,;26.67,-32.42,;25.34,-33.19,;25.34,-34.73,;26.67,-35.5,;28.01,-34.73,;29.34,-35.5,;38.68,-28.56,;38.68,-30.1,;40.01,-27.8,;41.34,-28.57,;42.67,-27.79,;44,-28.57,;44,-30.11,;45.33,-30.89,;42.66,-30.87,;41.33,-30.1,)|
Show InChI InChI=1S/C27H43ClN4O4/c1-17(2)20(26(36)30-18-9-11-19(33)12-10-18)13-24(34)22(29)14-31-15-25(35)32(16-27(31,3)4)23-8-6-5-7-21(23)28/h5-8,17-20,22,24,33-34H,9-16,29H2,1-4H3,(H,30,36)/t18-,19-,20-,22-,24-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434419
PNG
(CHEMBL2387573)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:4.4,2.2,29.30,wD:6.6,36.39,TLB:28:29:39.35.36:33.32.31,28:29:31:39.36.38,37:36:29:33.32.31,THB:35:34:31:39.36.38,35:36:29.34.33:31,37:36:29.34.33:31,38:36:29:33.32.31,38:32:29:39.35.36,(16.54,-32.48,;15.2,-33.24,;15.2,-34.78,;13.87,-35.55,;12.53,-34.78,;12.54,-33.24,;11.2,-35.55,;9.87,-34.78,;11.2,-37.09,;9.86,-37.86,;8.52,-37.09,;7.19,-37.86,;5.85,-37.09,;7.2,-39.4,;8.53,-40.17,;9.85,-39.4,;11.34,-39.79,;10.25,-40.88,;5.86,-40.17,;4.52,-39.41,;3.19,-40.18,;1.86,-39.41,;3.19,-41.73,;4.53,-42.5,;5.86,-41.72,;7.2,-42.49,;16.53,-35.56,;16.53,-37.1,;17.87,-34.79,;19.2,-35.56,;20.4,-34.28,;20.39,-32.8,;21.74,-32.32,;20.7,-33.55,;20.7,-35.14,;22.11,-35.7,;23.12,-34.43,;24.2,-35.51,;23.13,-32.9,;21.73,-34.77,)|
Show InChI InChI=1S/C30H44ClFN4O4/c1-4-18(28(39)34-27-19-7-17-8-20(27)13-30(40,11-17)12-19)9-25(37)23(33)14-35-15-26(38)36(16-29(35,2)3)24-10-21(32)5-6-22(24)31/h5-6,10,17-20,23,25,27,37,40H,4,7-9,11-16,33H2,1-3H3,(H,34,39)/t17?,18-,19?,20?,23+,25+,27-,30-/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434416
PNG
(CHEMBL2387444)
Show SMILES CC(C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(C)C |r|
Show InChI InChI=1S/C25H41ClN4O3/c1-16(2)12-28-24(33)18(17(3)4)11-22(31)20(27)13-29-14-23(32)30(15-25(29,5)6)21-10-8-7-9-19(21)26/h7-10,16-18,20,22,31H,11-15,27H2,1-6H3,(H,28,33)/t18-,20-,22-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434442
PNG
(CHEMBL2387550)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ccncc1 |r|
Show InChI InChI=1S/C26H36ClN5O3/c1-17(2)19(25(35)30-18-9-11-29-12-10-18)13-23(33)21(28)14-31-15-24(34)32(16-26(31,3)4)22-8-6-5-7-20(22)27/h5-12,17,19,21,23,33H,13-16,28H2,1-4H3,(H,29,30,35)/t19-,21-,23-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434407
PNG
(CHEMBL2387453)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NCC(C)(C)CO |r|
Show InChI InChI=1S/C25H41ClN4O4/c1-6-17(23(34)28-14-24(2,3)16-31)11-21(32)19(27)12-29-13-22(33)30(15-25(29,4)5)20-10-8-7-9-18(20)26/h7-10,17,19,21,31-32H,6,11-16,27H2,1-5H3,(H,28,34)/t17-,19+,21+/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434440
PNG
(CHEMBL2387552)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H34ClFN4O3/c1-4-17(25(35)30-19-11-9-18(28)10-12-19)13-23(33)21(29)14-31-15-24(34)32(16-26(31,2)3)22-8-6-5-7-20(22)27/h5-12,17,21,23,33H,4,13-16,29H2,1-3H3,(H,30,35)/t17-,21+,23+/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434417
PNG
(CHEMBL2387575)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:4.4,2.2,29.30,wD:6.6,36.39,TLB:28:29:39.35.36:33.32.31,28:29:31:39.36.38,37:36:29:33.32.31,THB:35:34:31:39.36.38,35:36:29.34.33:31,37:36:29.34.33:31,38:36:29:33.32.31,38:32:29:39.35.36,(15.69,-45.87,;14.36,-46.64,;14.35,-48.18,;13.02,-48.95,;11.69,-48.17,;11.69,-46.63,;10.35,-48.94,;9.02,-48.17,;10.35,-50.48,;9.01,-51.25,;7.68,-50.48,;6.34,-51.25,;5,-50.49,;6.35,-52.79,;7.68,-53.56,;9.01,-52.79,;10.49,-53.19,;9.41,-54.27,;5.01,-53.57,;3.68,-52.8,;2.35,-53.57,;1.01,-52.81,;2.34,-55.12,;3.68,-55.89,;5.02,-55.12,;6.35,-55.89,;15.69,-48.95,;15.68,-50.49,;17.02,-48.18,;18.35,-48.95,;19.55,-47.68,;19.54,-46.19,;20.89,-45.71,;19.85,-46.94,;19.85,-48.53,;21.26,-49.1,;22.27,-47.82,;23.36,-48.91,;22.28,-46.29,;20.88,-48.17,)|
Show InChI InChI=1S/C31H47FN4O4/c1-5-20(29(39)34-28-21-8-19-9-22(28)14-31(40,12-19)13-21)10-26(37)24(33)15-35-16-27(38)36(17-30(35,3)4)25-11-23(32)7-6-18(25)2/h6-7,11,19-22,24,26,28,37,40H,5,8-10,12-17,33H2,1-4H3,(H,34,39)/t19?,20-,21?,22?,24+,26+,28-,31-/m1/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434433
PNG
(CHEMBL2387559)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ncc(F)cc1F |r|
Show InChI InChI=1S/C26H34ClF2N5O3/c1-15(2)17(25(37)32-24-19(29)9-16(28)11-31-24)10-22(35)20(30)12-33-13-23(36)34(14-26(33,3)4)21-8-6-5-7-18(21)27/h5-9,11,15,17,20,22,35H,10,12-14,30H2,1-4H3,(H,31,32,37)/t17-,20-,22-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192817
PNG
(CHEMBL3924485)
Show SMILES COC(=O)N1CC2CCC(C1)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1
Show InChI InChI=1/C22H24N6O3S2/c1-12-19(33-13(2)24-12)17-11-32-21(25-17)26-18-7-4-14(8-23-18)20(29)28-15-5-6-16(28)10-27(9-15)22(30)31-3/h4,7-8,11,15-16H,5-6,9-10H2,1-3H3,(H,23,25,26)
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n/an/a 1.70n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434408
PNG
(CHEMBL2387452)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NCC(C)(C)CO |r|
Show InChI InChI=1S/C26H43ClN4O4/c1-17(2)18(24(35)29-14-25(3,4)16-32)11-22(33)20(28)12-30-13-23(34)31(15-26(30,5)6)21-10-8-7-9-19(21)27/h7-10,17-18,20,22,32-33H,11-16,28H2,1-6H3,(H,29,35)/t18-,20-,22-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434418
PNG
(CHEMBL2387574)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:5.5,3.3,30.31,wD:7.7,37.40,TLB:29:30:40.36.37:34.33.32,29:30:32:40.37.39,38:37:30:34.33.32,THB:36:35:32:40.37.39,36:37:30.35.34:32,38:37:30.35.34:32,39:37:30:34.33.32,39:33:30:40.36.37,(38.43,-31.11,;37.09,-31.88,;35.76,-31.1,;37.09,-33.42,;35.75,-34.18,;34.42,-33.41,;34.42,-31.87,;33.09,-34.18,;31.75,-33.41,;33.08,-35.72,;31.75,-36.49,;30.41,-35.72,;29.07,-36.49,;27.74,-35.72,;29.08,-38.03,;30.42,-38.8,;31.74,-38.03,;33.23,-38.42,;32.14,-39.51,;27.75,-38.81,;26.41,-38.04,;25.08,-38.81,;23.75,-38.04,;25.08,-40.36,;26.41,-41.13,;27.75,-40.36,;29.09,-41.12,;38.42,-34.19,;38.42,-35.73,;39.76,-33.42,;41.09,-34.19,;42.29,-32.91,;42.28,-31.43,;43.62,-30.95,;42.58,-32.18,;42.59,-33.77,;43.99,-34.34,;45.01,-33.06,;46.09,-34.15,;45.02,-31.53,;43.61,-33.41,)|
Show InChI InChI=1S/C32H49FN4O4/c1-18(2)24(30(40)35-29-21-8-20-9-22(29)14-32(41,12-20)13-21)11-27(38)25(34)15-36-16-28(39)37(17-31(36,4)5)26-10-23(33)7-6-19(26)3/h6-7,10,18,20-22,24-25,27,29,38,41H,8-9,11-17,34H2,1-5H3,(H,35,40)/t20?,21?,22?,24-,25-,27-,29-,32-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50192781
PNG
(CHEMBL3985107)
Show SMILES COC(=O)N1CC2CCCC(C1)N2C(=O)c1ccc(Nc2nc(cs2)-c2sc(C)nc2C)nc1
Show InChI InChI=1/C23H26N6O3S2/c1-13-20(34-14(2)25-13)18-12-33-22(26-18)27-19-8-7-15(9-24-19)21(30)29-16-5-4-6-17(29)11-28(10-16)23(31)32-3/h7-9,12,16-17H,4-6,10-11H2,1-3H3,(H,24,26,27)
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n/an/a 1.80n/an/an/an/an/an/a



Shionogi& Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 assessed as inhibition of 4alpha-PDD-induced activation


Bioorg Med Chem Lett 26: 4936-4941 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.014
BindingDB Entry DOI: 10.7270/Q2154K06
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)
BDBM50434423
PNG
(CHEMBL2387569)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@@](O)(C3)C2 |r,wU:4.4,2.2,28.29,35.38,wD:6.6,TLB:32:33:38:30.31.37,32:31:28.33.34:38,36:35:28:30.32.31,THB:27:28:30.32.31:34.35.38,27:28:38:30.31.37,37:31:28:34.35.38,37:35:28:30.32.31,(14.52,-3.69,;13.18,-4.46,;13.18,-6,;11.84,-6.77,;10.51,-5.99,;10.51,-4.45,;9.18,-6.76,;7.84,-5.99,;9.17,-8.3,;7.84,-9.07,;6.5,-8.3,;5.16,-9.07,;3.83,-8.31,;5.17,-10.61,;6.51,-11.38,;7.83,-10.61,;9.32,-11.01,;8.23,-12.09,;3.84,-11.39,;2.5,-10.62,;1.17,-11.4,;1.17,-12.94,;2.5,-13.71,;3.84,-12.94,;5.18,-13.71,;14.51,-6.77,;14.51,-8.31,;15.85,-6,;17.18,-6.77,;18.38,-5.5,;19.7,-5.99,;21.1,-5.64,;20.09,-6.92,;18.68,-6.35,;18.68,-4.76,;19.71,-3.53,;19.7,-1.99,;21.11,-4.11,;18.37,-4.01,)|
Show InChI InChI=1S/C30H45ClN4O4/c1-4-19(28(38)33-27-20-9-18-10-21(27)14-30(39,12-18)13-20)11-25(36)23(32)15-34-16-26(37)35(17-29(34,2)3)24-8-6-5-7-22(24)31/h5-8,18-21,23,25,27,36,39H,4,9-17,32H2,1-3H3,(H,33,38)/t18?,19-,20?,21?,23+,25+,27-,30+/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in cynomolgus monkey plasma after 1 hr by RIA


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434450
PNG
(CHEMBL2387542)
Show SMILES COC(=O)C(C)(C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(C)C |r|
Show InChI InChI=1S/C27H43ClN4O5/c1-17(2)18(24(35)30-15-26(3,4)25(36)37-7)12-22(33)20(29)13-31-14-23(34)32(16-27(31,5)6)21-11-9-8-10-19(21)28/h8-11,17-18,20,22,33H,12-16,29H2,1-7H3,(H,30,35)/t18-,20-,22-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434445
PNG
(CHEMBL2387547)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ccccn1 |r|
Show InChI InChI=1S/C26H36ClN5O3/c1-17(2)18(25(35)30-23-11-7-8-12-29-23)13-22(33)20(28)14-31-15-24(34)32(16-26(31,3)4)21-10-6-5-9-19(21)27/h5-12,17-18,20,22,33H,13-16,28H2,1-4H3,(H,29,30,35)/t18-,20-,22-/m0/s1
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434437
PNG
(CHEMBL2387555)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)Nc1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C27H35ClF2N4O3/c1-16(2)18(26(37)32-17-9-10-20(29)21(30)11-17)12-24(35)22(31)13-33-14-25(36)34(15-27(33,3)4)23-8-6-5-7-19(23)28/h5-11,16,18,22,24,35H,12-15,31H2,1-4H3,(H,32,37)/t18-,22-,24-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50434420
PNG
(CHEMBL2387572)
Show SMILES CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1cc(F)ccc1Cl)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2 |r,wU:5.5,3.3,30.31,wD:7.7,37.40,TLB:29:30:40.36.37:34.33.32,29:30:32:40.37.39,38:37:30:34.33.32,THB:36:35:32:40.37.39,36:37:30.35.34:32,38:37:30.35.34:32,39:37:30:34.33.32,39:33:30:40.36.37,(40.42,-16.49,;39.09,-17.26,;37.76,-16.49,;39.09,-18.8,;37.75,-19.57,;36.42,-18.8,;36.42,-17.26,;35.08,-19.56,;33.75,-18.79,;35.08,-21.1,;33.75,-21.87,;32.41,-21.1,;31.07,-21.87,;29.74,-21.11,;31.08,-23.41,;32.42,-24.18,;33.74,-23.41,;35.23,-23.81,;34.14,-24.9,;29.74,-24.19,;28.41,-23.43,;27.08,-24.2,;25.75,-23.43,;27.08,-25.74,;28.41,-26.51,;29.75,-25.74,;31.08,-26.51,;40.42,-19.57,;40.42,-21.11,;41.75,-18.8,;43.09,-19.58,;44.28,-18.3,;44.27,-16.81,;45.62,-16.34,;44.58,-17.56,;44.59,-19.16,;45.99,-19.72,;47.01,-18.44,;48.09,-19.53,;47.02,-16.91,;45.61,-18.79,)|
Show InChI InChI=1S/C31H46ClFN4O4/c1-17(2)22(29(40)35-28-19-7-18-8-20(28)13-31(41,11-18)12-19)10-26(38)24(34)14-36-15-27(39)37(16-30(36,3)4)25-9-21(33)5-6-23(25)32/h5-6,9,17-20,22,24,26,28,38,41H,7-8,10-16,34H2,1-4H3,(H,35,40)/t18?,19?,20?,22-,24-,26-,28-,31-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys (DABCYL)-Arg as substrate incubated for 10 min...


Bioorg Med Chem 21: 3175-96 (2013)


Article DOI: 10.1016/j.bmc.2013.03.022
BindingDB Entry DOI: 10.7270/Q2GT5PJK
More data for this
Ligand-Target Pair
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