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Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'criscione' and Initial = 'l'   
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
Renin


(Homo sapiens (Human))
BDBM50022582
PNG
(CHEMBL53139 | Diastereomer-5-[2-[2-Benzyl-3-(2-met...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C
Show InChI InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30?,32-,33-,34-,35?/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of Human kideny renin


J Med Chem 31: 1839-46 (1988)


BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50089055
PNG
(CHEMBL273811 | N*2*-(4-Ethanesulfonylmethyl-phenyl...)
Show SMILES CCS(=O)(=O)Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1
Show InChI InChI=1S/C23H22N4O2S/c1-2-30(28,29)16-17-12-14-19(15-13-17)25-23-26-21-11-7-6-10-20(21)22(27-23)24-18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H2,24,25,26,27)
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n/an/a 0.600n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonistic activity against neuropeptide Y receptor type 5 subtype stably expressed in LM(tk-)cells


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50089048
PNG
(CHEMBL18163 | N,N-Dimethyl-C-[4-(4-phenylamino-qui...)
Show SMILES CN(C)S(=O)(=O)Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1
Show InChI InChI=1S/C23H23N5O2S/c1-28(2)31(29,30)16-17-12-14-19(15-13-17)25-23-26-21-11-7-6-10-20(21)22(27-23)24-18-8-4-3-5-9-18/h3-15H,16H2,1-2H3,(H2,24,25,26,27)
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n/an/a 0.900n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonistic activity against neuropeptide Y receptor type 5 subtype stably expressed in LM(tk-)cells


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022582
PNG
(CHEMBL53139 | Diastereomer-5-[2-[2-Benzyl-3-(2-met...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C
Show InChI InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30?,32-,33-,34-,35?/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of marmoset plasma renin


J Med Chem 31: 1839-46 (1988)


BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Neuropeptide Y receptor type 5


(Rat 6B)
BDBM50089038
PNG
(CGP 71683 | CGP-71683A | CHEMBL17645 | N-{[(1r,4r)...)
Show SMILES Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 |wU:6.5,wD:9.9,(2.92,.42,;2.94,-1.13,;4.28,-1.89,;4.29,-3.44,;5.63,-4.22,;6.96,-3.45,;8.29,-4.21,;9.63,-3.44,;10.96,-4.22,;10.95,-5.76,;12.28,-6.54,;13.77,-6.13,;14.86,-7.21,;13.98,-8.47,;15.7,-5.91,;16.12,-8.05,;17.24,-7,;18.73,-7.45,;19.09,-8.94,;17.97,-9.99,;18.33,-11.48,;17.22,-12.56,;15.73,-12.11,;15.38,-10.62,;16.49,-9.56,;9.62,-6.51,;8.29,-5.75,;2.95,-4.23,;1.61,-3.45,;.26,-4.23,;-1.07,-3.46,;-1.07,-1.9,;.26,-1.13,;1.61,-1.9,)|
Show InChI InChI=1S/C26H29N5O2S/c27-25-22-9-3-4-10-23(22)30-26(31-25)28-16-18-12-14-19(15-13-18)17-29-34(32,33)24-11-5-7-20-6-1-2-8-21(20)24/h1-11,18-19,29H,12-17H2,(H3,27,28,30,31)/t18-,19-
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n/an/a 1.40n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Compound was tested for rat Neuropeptide Y receptor type 5


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022582
PNG
(CHEMBL53139 | Diastereomer-5-[2-[2-Benzyl-3-(2-met...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C
Show InChI InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30?,32-,33-,34-,35?/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of Human plasma renin


J Med Chem 31: 1839-46 (1988)


BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50089069
PNG
(CHEMBL17632 | N-[4-(4-Phenylamino-quinazolin-2-yla...)
Show SMILES CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccccc2)c2ccccc2n1 |wU:9.12,wD:6.5,(17,-10.36,;16.58,-8.88,;18,-9.04,;15.26,-9.64,;16.58,-7.34,;15.26,-6.57,;13.94,-7.34,;12.59,-6.57,;11.24,-7.34,;11.27,-8.89,;12.61,-9.64,;13.94,-8.88,;9.94,-9.67,;8.6,-8.89,;8.6,-7.34,;7.25,-6.58,;7.25,-5.05,;8.57,-4.26,;8.55,-2.74,;9.87,-1.96,;11.22,-2.72,;11.24,-4.26,;9.9,-5.04,;5.93,-7.36,;4.6,-6.59,;3.26,-7.36,;3.26,-8.9,;4.6,-9.68,;5.93,-8.9,;7.27,-9.67,)|
Show InChI InChI=1S/C22H27N5O2S/c1-30(28,29)23-15-16-11-13-18(14-12-16)25-22-26-20-10-6-5-9-19(20)21(27-22)24-17-7-3-2-4-8-17/h2-10,16,18,23H,11-15H2,1H3,(H2,24,25,26,27)/t16-,18-
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n/an/a 2n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonistic activity against neuropeptide Y receptor type 5 subtype stably expressed in LM(tk-)cells


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022582
PNG
(CHEMBL53139 | Diastereomer-5-[2-[2-Benzyl-3-(2-met...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C
Show InChI InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30?,32-,33-,34-,35?/m0/s1
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n/an/a 2n/an/an/an/a7.2n/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of marmoset plasma renin


J Med Chem 31: 1839-46 (1988)


BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50022582
PNG
(CHEMBL53139 | Diastereomer-5-[2-[2-Benzyl-3-(2-met...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C
Show InChI InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30?,32-,33-,34-,35?/m0/s1
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n/an/a 2n/an/an/an/a7.2n/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine plasma renin


J Med Chem 31: 1839-46 (1988)


BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (Human))
BDBM50022586
PNG
(5-[2-[2-Benzyl-3-(2-methyl-propane-2-sulfinyl)-pro...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)CS(=O)C(C)(C)C)C(C)C
Show InChI InChI=1S/C39H63N5O5S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(25-50(49)39(4,5)6)20-28-15-11-9-12-16-28/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30-,32+,33+,34+,35?,50?/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2


J Med Chem 31: 1839-46 (1988)


BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50049186
PNG
((S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-b...)
Show SMILES CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Angiotensin II receptor, type 1 in the absence of bovine serum albumin (BSA)


Bioorg Med Chem Lett 4: 29-34 (1994)


Article DOI: 10.1016/S0960-894X(01)81117-3
BindingDB Entry DOI: 10.7270/Q25Q4W14
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50089060
PNG
(CHEMBL273597 | Naphthalene-1-sulfonic acid [4-(4-a...)
Show SMILES Nc1nc(N[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 |wU:5.4,wD:8.8,(4.65,-3.89,;4.65,-5.44,;6,-6.2,;6,-7.77,;7.33,-8.54,;8.68,-7.77,;8.66,-6.23,;10.01,-5.46,;11.34,-6.23,;12.67,-5.48,;14,-6.25,;15.33,-7.02,;15.31,-5.48,;15.31,-8.56,;16.87,-7.02,;17.2,-5.51,;18.69,-5.07,;19.81,-6.11,;19.46,-7.61,;20.6,-8.65,;20.25,-10.15,;18.78,-10.61,;17.66,-9.56,;17.99,-8.05,;11.34,-7.77,;10.01,-8.54,;4.67,-8.54,;3.32,-7.77,;1.97,-8.56,;.64,-7.77,;.64,-6.23,;1.97,-5.46,;3.32,-6.23,)|
Show InChI InChI=1S/C25H27N5O2S/c26-24-21-9-3-4-10-22(21)29-25(30-24)28-19-14-12-17(13-15-19)16-27-33(31,32)23-11-5-7-18-6-1-2-8-20(18)23/h1-11,17,19,27H,12-16H2,(H3,26,28,29,30)/t17-,19-
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n/an/a 2.70n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonistic activity against neuropeptide Y receptor type 5 subtype stably expressed in LM(tk-)cells


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50089038
PNG
(CGP 71683 | CGP-71683A | CHEMBL17645 | N-{[(1r,4r)...)
Show SMILES Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 |wU:6.5,wD:9.9,(2.92,.42,;2.94,-1.13,;4.28,-1.89,;4.29,-3.44,;5.63,-4.22,;6.96,-3.45,;8.29,-4.21,;9.63,-3.44,;10.96,-4.22,;10.95,-5.76,;12.28,-6.54,;13.77,-6.13,;14.86,-7.21,;13.98,-8.47,;15.7,-5.91,;16.12,-8.05,;17.24,-7,;18.73,-7.45,;19.09,-8.94,;17.97,-9.99,;18.33,-11.48,;17.22,-12.56,;15.73,-12.11,;15.38,-10.62,;16.49,-9.56,;9.62,-6.51,;8.29,-5.75,;2.95,-4.23,;1.61,-3.45,;.26,-4.23,;-1.07,-3.46,;-1.07,-1.9,;.26,-1.13,;1.61,-1.9,)|
Show InChI InChI=1S/C26H29N5O2S/c27-25-22-9-3-4-10-23(22)30-26(31-25)28-16-18-12-14-19(15-13-18)17-29-34(32,33)24-11-5-7-20-6-1-2-8-21(20)24/h1-11,18-19,29H,12-17H2,(H3,27,28,30,31)/t18-,19-
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n/an/a 2.90n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Compound was tested for human Neuropeptide Y receptor type 5


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50089036
PNG
(CHEMBL278881 | Naphthalene-1-sulfonic acid {4-[2-(...)
Show SMILES Nc1nc(NCC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 |wU:7.6,wD:10.10,(3.44,-3.9,;3.45,-5.44,;4.79,-6.21,;4.81,-7.77,;6.14,-8.54,;7.47,-7.77,;8.56,-8.87,;9.89,-8.1,;9.89,-6.56,;11.23,-5.79,;12.56,-6.56,;13.91,-5.79,;15.22,-6.58,;16.55,-7.35,;16.54,-5.81,;16.54,-8.89,;18.08,-7.35,;18.43,-5.86,;19.9,-5.4,;21.03,-6.44,;20.7,-7.94,;21.82,-8.98,;21.49,-10.48,;20,-10.94,;18.88,-9.89,;19.23,-8.4,;12.55,-8.1,;11.22,-8.87,;3.46,-8.55,;2.12,-7.77,;.77,-8.56,;-.56,-7.78,;-.56,-6.23,;.77,-5.46,;2.12,-6.23,)|
Show InChI InChI=1S/C27H31N5O2S/c28-26-23-9-3-4-10-24(23)31-27(32-26)29-17-16-19-12-14-20(15-13-19)18-30-35(33,34)25-11-5-7-21-6-1-2-8-22(21)25/h1-11,19-20,30H,12-18H2,(H3,28,29,31,32)/t19-,20-
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n/an/a 2.90n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonistic activity against neuropeptide Y receptor type 5 subtype stably expressed in LM(tk-)cells


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50089038
PNG
(CGP 71683 | CGP-71683A | CHEMBL17645 | N-{[(1r,4r)...)
Show SMILES Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 |wU:6.5,wD:9.9,(2.92,.42,;2.94,-1.13,;4.28,-1.89,;4.29,-3.44,;5.63,-4.22,;6.96,-3.45,;8.29,-4.21,;9.63,-3.44,;10.96,-4.22,;10.95,-5.76,;12.28,-6.54,;13.77,-6.13,;14.86,-7.21,;13.98,-8.47,;15.7,-5.91,;16.12,-8.05,;17.24,-7,;18.73,-7.45,;19.09,-8.94,;17.97,-9.99,;18.33,-11.48,;17.22,-12.56,;15.73,-12.11,;15.38,-10.62,;16.49,-9.56,;9.62,-6.51,;8.29,-5.75,;2.95,-4.23,;1.61,-3.45,;.26,-4.23,;-1.07,-3.46,;-1.07,-1.9,;.26,-1.13,;1.61,-1.9,)|
Show InChI InChI=1S/C26H29N5O2S/c27-25-22-9-3-4-10-23(22)30-26(31-25)28-16-18-12-14-19(15-13-18)17-29-34(32,33)24-11-5-7-20-6-1-2-8-21(20)24/h1-11,18-19,29H,12-17H2,(H3,27,28,30,31)/t18-,19-
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n/an/a 2.90n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Compound was tested for its antagonistic activity against Neuropeptide Y receptor Y5 subtype stably expressed in LM(tk-)cells


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022582
PNG
(CHEMBL53139 | Diastereomer-5-[2-[2-Benzyl-3-(2-met...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C
Show InChI InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30?,32-,33-,34-,35?/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2


J Med Chem 31: 1839-46 (1988)


BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50089070
PNG
(4-Methyl-N-[4-(4-phenylamino-quinazolin-2-ylamino)...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccccc2)c2ccccc2n1 |wU:15.19,wD:12.12,(17.79,-13.14,;17.4,-11.66,;18.48,-10.56,;18.07,-9.09,;16.61,-8.7,;15.52,-9.79,;15.91,-11.26,;16.21,-7.22,;14.86,-7.98,;17.62,-7.38,;16.21,-5.68,;14.86,-4.91,;13.54,-5.68,;12.19,-4.91,;10.86,-5.68,;10.87,-7.23,;12.21,-7.98,;13.54,-7.22,;9.54,-8.01,;8.21,-7.23,;8.19,-5.68,;6.86,-4.91,;6.84,-3.38,;8.17,-2.59,;8.16,-1.07,;9.49,-.29,;10.83,-1.05,;10.84,-2.59,;9.51,-3.37,;5.53,-5.7,;4.19,-4.93,;2.86,-5.7,;2.86,-7.24,;4.19,-8.02,;5.53,-7.24,;6.87,-8.01,)|
Show InChI InChI=1S/C28H31N5O2S/c1-20-11-17-24(18-12-20)36(34,35)29-19-21-13-15-23(16-14-21)31-28-32-26-10-6-5-9-25(26)27(33-28)30-22-7-3-2-4-8-22/h2-12,17-18,21,23,29H,13-16,19H2,1H3,(H2,30,31,32,33)/t21-,23-
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n/an/a 4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonistic activity against neuropeptide Y receptor type 5 subtype stably expressed in LM(tk-)cells


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022588
PNG
(CHEMBL291787 | {2-[1-(4-Butylcarbamoyl-1-cyclohexy...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CP(=O)(OCC)OCC)C(C)C
Show InChI InChI=1S/C39H64N5O7P/c1-6-9-20-41-38(47)33(28(4)5)24-36(45)34(22-30-18-14-11-15-19-30)43-39(48)35(23-32-25-40-27-42-32)44-37(46)31(21-29-16-12-10-13-17-29)26-52(49,50-7-2)51-8-3/h10,12-13,16-17,25,27-28,30-31,33-36,45H,6-9,11,14-15,18-24,26H2,1-5H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t31?,33-,34-,35-,36?/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2


J Med Chem 31: 1839-46 (1988)


BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022587
PNG
(5-[2-(2-tert-Butylsulfanylmethyl-3-phenyl-propiony...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CSC(C)(C)C)Cc1ccccc1)C(C)C
Show InChI InChI=1S/C39H63N5O4S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(25-49-39(4,5)6)20-28-15-11-9-12-16-28/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30-,32+,33+,34+,35?/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2


J Med Chem 31: 1839-46 (1988)


BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50089065
PNG
(CHEMBL279408 | N*2*-(4-Diethylamino-phenyl)-N*4*-p...)
Show SMILES CCN(CC)c1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1
Show InChI InChI=1S/C24H25N5/c1-3-29(4-2)20-16-14-19(15-17-20)26-24-27-22-13-9-8-12-21(22)23(28-24)25-18-10-6-5-7-11-18/h5-17H,3-4H2,1-2H3,(H2,25,26,27,28)
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n/an/a 4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonistic activity against neuropeptide Y receptor type 5 subtype stably expressed in LM(tk-)cells


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50089063
PNG
(Acetic acid 4-(4-phenylamino-quinazolin-2-ylamino)...)
Show SMILES CC(=O)O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccccc2)c2ccccc2n1 |wU:7.10,wD:4.3,(16.66,-8.87,;16.66,-7.34,;17.99,-6.57,;15.34,-6.58,;13.99,-7.36,;12.66,-6.58,;11.31,-7.36,;11.34,-8.91,;12.66,-9.66,;13.99,-8.89,;9.99,-9.68,;8.66,-8.91,;8.66,-7.36,;7.31,-6.59,;7.31,-5.06,;8.64,-4.26,;8.61,-2.74,;9.94,-1.96,;11.29,-2.72,;11.29,-4.26,;9.96,-5.05,;5.99,-7.37,;4.64,-6.61,;3.31,-7.37,;3.31,-8.92,;4.64,-9.7,;5.99,-8.92,;7.34,-9.68,)|
Show InChI InChI=1S/C22H24N4O2/c1-15(27)28-18-13-11-17(12-14-18)24-22-25-20-10-6-5-9-19(20)21(26-22)23-16-7-3-2-4-8-16/h2-10,17-18H,11-14H2,1H3,(H2,23,24,25,26)/t17-,18-
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n/an/a 6n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonistic activity against neuropeptide Y receptor type 5 subtype stably expressed in LM(tk-)cells


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022584
PNG
(2-Benzyl-5,5-dimethyl-4-oxo-hexanoic acid [1-(4-bu...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(CC(=O)C(C)(C)C)Cc1ccccc1)C(C)C
Show InChI InChI=1S/C40H63N5O5/c1-7-8-19-42-38(49)32(27(2)3)24-35(46)33(21-29-17-13-10-14-18-29)44-39(50)34(23-31-25-41-26-43-31)45-37(48)30(22-36(47)40(4,5)6)20-28-15-11-9-12-16-28/h9,11-12,15-16,25-27,29-30,32-35,46H,7-8,10,13-14,17-24H2,1-6H3,(H,41,43)(H,42,49)(H,44,50)(H,45,48)/t30?,32-,33-,34-,35?/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2


J Med Chem 31: 1839-46 (1988)


BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50282368
PNG
(CHEMBL116298 | Pentanoic acid ((S)-1-carbamoyl-2-m...)
Show SMILES CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C24H30N6O2/c1-4-5-10-21(31)30(22(16(2)3)23(25)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)24-26-28-29-27-24/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H2,25,32)(H,26,27,28,29)/t22-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Angiotensin II receptor, type 1 in the absence of bovine serum albumin (BSA)


Bioorg Med Chem Lett 4: 29-34 (1994)


Article DOI: 10.1016/S0960-894X(01)81117-3
BindingDB Entry DOI: 10.7270/Q25Q4W14
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022590
PNG
(2,2-Dimethyl-propionic acid 1-[1-(4-butylcarbamoyl...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(C)(OC(=O)C(C)(C)C)c1ccccc1)C(C)C
Show InChI InChI=1S/C39H61N5O6/c1-8-9-20-41-34(46)30(26(2)3)23-33(45)31(21-27-16-12-10-13-17-27)43-35(47)32(22-29-24-40-25-42-29)44-36(48)39(7,28-18-14-11-15-19-28)50-37(49)38(4,5)6/h11,14-15,18-19,24-27,30-33,45H,8-10,12-13,16-17,20-23H2,1-7H3,(H,40,42)(H,41,46)(H,43,47)(H,44,48)/t30-,31-,32-,33?,39?/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2


J Med Chem 31: 1839-46 (1988)


BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50009714
PNG
(CHEMBL191 | {2-Butyl-5-chloro-3-[2'-(2H-tetrazol-5...)
Show SMILES CCCCC1=NC(Cl)C(CO)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4|
Show InChI InChI=1S/C22H25ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,19,21,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Angiotensin II receptor, type 1 in the absence of bovine serum albumin (BSA)


Bioorg Med Chem Lett 4: 29-34 (1994)


Article DOI: 10.1016/S0960-894X(01)81117-3
BindingDB Entry DOI: 10.7270/Q25Q4W14
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022859
PNG
(CHEMBL407670 | Pro-His-Pro-Phe-His-Leu[CH2NH]Val-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C60H91N17O10/c1-7-37(6)51(58(84)74-47(26-40-29-63-33-68-40)55(81)71-44(60(86)87)17-11-12-20-61)76-57(83)50(36(4)5)66-31-42(23-35(2)3)70-53(79)46(25-39-28-62-32-67-39)72-54(80)45(24-38-15-9-8-10-16-38)73-56(82)49-19-14-22-77(49)59(85)48(27-41-30-64-34-69-41)75-52(78)43-18-13-21-65-43/h8-10,15-16,28-30,32-37,42-51,65-66H,7,11-14,17-27,31,61H2,1-6H3,(H,62,67)(H,63,68)(H,64,69)(H,70,79)(H,71,81)(H,72,80)(H,73,82)(H,74,84)(H,75,78)(H,76,83)(H,86,87)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2


J Med Chem 31: 1839-46 (1988)


BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022589
PNG
(CHEMBL435178 | {1-[1-(4-{1-[1-Carbamoyl-2-(3H-imid...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1S/C44H68N10O8/c1-10-27(6)37(42(60)51-33(38(45)56)18-29-21-46-23-48-29)54-39(57)31(26(4)5)20-36(55)32(16-25(2)3)50-41(59)35(19-30-22-47-24-49-30)52-40(58)34(17-28-14-12-11-13-15-28)53-43(61)62-44(7,8)9/h11-15,21-27,31-37,55H,10,16-20H2,1-9H3,(H2,45,56)(H,46,48)(H,47,49)(H,50,59)(H,51,60)(H,52,58)(H,53,61)(H,54,57)/t27-,31-,32-,33-,34-,35-,36?,37-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2


J Med Chem 31: 1839-46 (1988)


BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50089066
PNG
(CHEMBL276768 | Naphthalene-1-sulfonic acid (4-{[(4...)
Show SMILES CN(C[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1)c1nc(N)c2ccccc2n1 |wU:3.2,wD:6.6,(3.13,-4.29,;3.13,-2.75,;4.46,-1.99,;5.79,-2.75,;7.14,-1.98,;8.47,-2.76,;8.45,-4.3,;9.78,-5.07,;11.27,-4.67,;12.6,-5.44,;12.58,-6.98,;12.58,-3.9,;14.13,-5.44,;14.47,-3.94,;15.95,-3.48,;17.08,-4.53,;16.73,-6.02,;17.86,-7.07,;17.52,-8.57,;16.05,-9.03,;14.93,-7.98,;15.26,-6.48,;7.12,-5.06,;5.79,-4.29,;1.78,-1.98,;1.78,-.43,;.43,.34,;.43,1.88,;-.9,-.44,;-2.24,.33,;-3.58,-.44,;-3.58,-1.99,;-2.24,-2.78,;-.9,-1.99,;.45,-2.76,)|
Show InChI InChI=1S/C27H31N5O2S/c1-32(27-30-24-11-5-4-10-23(24)26(28)31-27)18-20-15-13-19(14-16-20)17-29-35(33,34)25-12-6-8-21-7-2-3-9-22(21)25/h2-12,19-20,29H,13-18H2,1H3,(H2,28,30,31)/t19-,20-
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n/an/a 16n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonistic activity against neuropeptide Y receptor type 5 subtype stably expressed in LM(tk-)cells


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022581
PNG
(2,2-Dimethyl-propionic acid 1-[1-(4-butylcarbamoyl...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(C)(OC(=O)C(C)(C)C)c1ccccc1)C(C)C
Show InChI InChI=1S/C36H57N5O6/c1-10-11-17-38-31(43)27(24(4)5)20-30(42)28(18-23(2)3)40-32(44)29(19-26-21-37-22-39-26)41-33(45)36(9,25-15-13-12-14-16-25)47-34(46)35(6,7)8/h12-16,21-24,27-30,42H,10-11,17-20H2,1-9H3,(H,37,39)(H,38,43)(H,40,44)(H,41,45)/t27-,28-,29-,30?,36?/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2


J Med Chem 31: 1839-46 (1988)


BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022585
PNG
(5-[2-[2-(2,2-Dimethyl-propionylamino)-3-phenyl-pro...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1S/C44H68N10O7/c1-10-27(6)37(42(60)51-33(38(45)56)18-29-21-46-23-48-29)54-39(57)31(26(4)5)20-36(55)32(16-25(2)3)50-41(59)35(19-30-22-47-24-49-30)52-40(58)34(53-43(61)44(7,8)9)17-28-14-12-11-13-15-28/h11-15,21-27,31-37,55H,10,16-20H2,1-9H3,(H2,45,56)(H,46,48)(H,47,49)(H,50,59)(H,51,60)(H,52,58)(H,53,61)(H,54,57)/t27-,31-,32-,33-,34-,35-,36?,37-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2


J Med Chem 31: 1839-46 (1988)


BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50089050
PNG
(CHEMBL16936 | N*2*-(4-Cyclohexyl-phenyl)-N*4*-phen...)
Show SMILES C1CCC(CC1)c1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1
Show InChI InChI=1S/C26H26N4/c1-3-9-19(10-4-1)20-15-17-22(18-16-20)28-26-29-24-14-8-7-13-23(24)25(30-26)27-21-11-5-2-6-12-21/h2,5-8,11-19H,1,3-4,9-10H2,(H2,27,28,29,30)
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n/an/a 20n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonistic activity against neuropeptide Y receptor type 5 subtype stably expressed in LM(tk-)cells


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50022591
PNG
(2,2-Dimethyl-propionic acid 1-[1-(4-{1-[1-carbamoy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(C)(OC(=O)C(C)(C)C)c1ccccc1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1S/C44H67N9O8/c1-11-27(6)36(40(58)51-33(37(45)55)18-29-21-46-23-48-29)53-38(56)31(26(4)5)20-35(54)32(17-25(2)3)50-39(57)34(19-30-22-47-24-49-30)52-41(59)44(10,28-15-13-12-14-16-28)61-42(60)43(7,8)9/h12-16,21-27,31-36,54H,11,17-20H2,1-10H3,(H2,45,55)(H,46,48)(H,47,49)(H,50,57)(H,51,58)(H,52,59)(H,53,56)/t27-,31-,32-,33-,34-,35?,36-,44?/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2


J Med Chem 31: 1839-46 (1988)


BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50282372
PNG
((S)-2-{Pentanoyl-[2'-(1H-tetrazol-5-yl)-biphenyl-4...)
Show SMILES CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H](C)C(O)=O
Show InChI InChI=1S/C22H25N5O3/c1-3-4-9-20(28)27(15(2)22(29)30)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)21-23-25-26-24-21/h5-8,10-13,15H,3-4,9,14H2,1-2H3,(H,29,30)(H,23,24,25,26)/t15-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Angiotensin II receptor, type 1 in the absence of bovine serum albumin (BSA)


Bioorg Med Chem Lett 4: 29-34 (1994)


Article DOI: 10.1016/S0960-894X(01)81117-3
BindingDB Entry DOI: 10.7270/Q25Q4W14
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor B


(RAT)
BDBM50009714
PNG
(CHEMBL191 | {2-Butyl-5-chloro-3-[2'-(2H-tetrazol-5...)
Show SMILES CCCCC1=NC(Cl)C(CO)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4|
Show InChI InChI=1S/C22H25ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,19,21,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)
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n/an/a 26n/an/an/an/an/an/a



Ciba Geigy Limited

Curated by ChEMBL


Assay Description
Binding affinity against angiotensin II receptor in rat smooth muscle cell preparations


J Med Chem 34: 3105-14 (1991)


BindingDB Entry DOI: 10.7270/Q27S7MRP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50089058
PNG
(CHEMBL276551 | Naphthalene-1-sulfonic acid [6-(4-a...)
Show SMILES Nc1nc(NCCCCCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12
Show InChI InChI=1S/C24H27N5O2S/c25-23-20-13-5-6-14-21(20)28-24(29-23)26-16-7-1-2-8-17-27-32(30,31)22-15-9-11-18-10-3-4-12-19(18)22/h3-6,9-15,27H,1-2,7-8,16-17H2,(H3,25,26,28,29)
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n/an/a 28n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonistic activity against neuropeptide Y receptor type 5 subtype stably expressed in LM(tk-)cells


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50282364
PNG
(3-(4-Fluoro-phenyl)-2-{pentanoyl-[2'-(1H-tetrazol-...)
Show SMILES CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(Cc1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C28H28FN5O3/c1-2-3-8-26(35)34(25(28(36)37)17-19-11-15-22(29)16-12-19)18-20-9-13-21(14-10-20)23-6-4-5-7-24(23)27-30-32-33-31-27/h4-7,9-16,25H,2-3,8,17-18H2,1H3,(H,36,37)(H,30,31,32,33)
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Angiotensin II receptor, type 1 in the absence of bovine serum albumin (BSA)


Bioorg Med Chem Lett 4: 29-34 (1994)


Article DOI: 10.1016/S0960-894X(01)81117-3
BindingDB Entry DOI: 10.7270/Q25Q4W14
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50089054
PNG
(CHEMBL17352 | N*2*-(4-Methoxy-phenyl)-N*4*-phenyl-...)
Show SMILES COc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1
Show InChI InChI=1S/C21H18N4O/c1-26-17-13-11-16(12-14-17)23-21-24-19-10-6-5-9-18(19)20(25-21)22-15-7-3-2-4-8-15/h2-14H,1H3,(H2,22,23,24,25)
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n/an/a 33n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonistic activity against neuropeptide Y receptor type 5 subtype stably expressed in LM(tk-)cells


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50089044
PNG
(CHEMBL17686 | [4-(4-Phenylamino-quinazolin-2-ylami...)
Show SMILES CCOP(=O)(Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1)OCC
Show InChI InChI=1S/C25H27N4O3P/c1-3-31-33(30,32-4-2)18-19-14-16-21(17-15-19)27-25-28-23-13-9-8-12-22(23)24(29-25)26-20-10-6-5-7-11-20/h5-17H,3-4,18H2,1-2H3,(H2,26,27,28,29)
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n/an/a 33n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonistic activity against neuropeptide Y receptor type 5 subtype stably expressed in LM(tk-)cells


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50089033
PNG
(CHEMBL418359 | Naphthalene-1-sulfonic acid {3-[(4-...)
Show SMILES Nc1nc(NCC2CCCC(CNS(=O)(=O)c3cccc4ccccc34)C2)nc2ccccc12
Show InChI InChI=1S/C26H29N5O2S/c27-25-22-12-3-4-13-23(22)30-26(31-25)28-16-18-7-5-8-19(15-18)17-29-34(32,33)24-14-6-10-20-9-1-2-11-21(20)24/h1-4,6,9-14,18-19,29H,5,7-8,15-17H2,(H3,27,28,30,31)
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n/an/a 38n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonistic activity against neuropeptide Y receptor type 5 subtype stably expressed in LM(tk-)cells


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50089045
PNG
(CHEMBL17196 | Naphthalene-1-sulfonic acid [7-(4-am...)
Show SMILES Nc1nc(NCCCCCCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12
Show InChI InChI=1S/C25H29N5O2S/c26-24-21-14-6-7-15-22(21)29-25(30-24)27-17-8-2-1-3-9-18-28-33(31,32)23-16-10-12-19-11-4-5-13-20(19)23/h4-7,10-16,28H,1-3,8-9,17-18H2,(H3,26,27,29,30)
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n/an/a 44n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonistic activity against neuropeptide Y receptor type 5 subtype stably expressed in LM(tk-)cells


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50089037
PNG
(CHEMBL17701 | Naphthalene-1-sulfonic acid [8-(4-am...)
Show SMILES Nc1nc(NCCCCCCCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12
Show InChI InChI=1S/C26H31N5O2S/c27-25-22-15-7-8-16-23(22)30-26(31-25)28-18-9-3-1-2-4-10-19-29-34(32,33)24-17-11-13-20-12-5-6-14-21(20)24/h5-8,11-17,29H,1-4,9-10,18-19H2,(H3,27,28,30,31)
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n/an/a 46n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonistic activity against neuropeptide Y receptor type 5 subtype stably expressed in LM(tk-)cells


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50089046
PNG
(CHEMBL17022 | Naphthalene-2-sulfonic acid (4-{[(na...)
Show SMILES O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1)c1ccc2ccccc2c1 |wU:8.8,wD:5.4,(14.76,-4.11,;14.78,-5.65,;14.76,-7.18,;13.46,-4.87,;12.12,-5.62,;10.79,-4.85,;10.81,-3.3,;9.47,-2.51,;8.15,-3.28,;6.82,-2.49,;5.48,-3.25,;4.15,-2.49,;2.82,-3.25,;2.82,-4.79,;1.48,-5.55,;.15,-4.78,;-1.18,-5.55,;-2.5,-4.78,;-2.5,-3.23,;-1.18,-2.47,;.15,-3.23,;1.48,-2.47,;8.13,-4.83,;9.45,-5.6,;16.13,-4.9,;16.13,-3.36,;17.48,-2.61,;18.8,-3.4,;20.15,-2.65,;21.47,-3.44,;21.45,-4.99,;20.09,-5.74,;18.78,-4.94,;17.46,-5.68,)|
Show InChI InChI=1S/C29H32N2O2S/c32-34(33,29-16-15-26-6-2-4-8-28(26)18-29)31-21-23-11-9-22(10-12-23)19-30-20-24-13-14-25-5-1-3-7-27(25)17-24/h1-8,13-18,22-23,30-31H,9-12,19-21H2/t22-,23-
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n/an/a 47n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Compound was tested for its affinity to bind with Neuropeptide Y receptor type 5


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50089047
PNG
(CHEMBL17914 | N*2*-Cyclohexyl-N*4*-phenyl-quinazol...)
Show SMILES C1CCC(CC1)Nc1nc(Nc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C20H22N4/c1-3-9-15(10-4-1)21-19-17-13-7-8-14-18(17)23-20(24-19)22-16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2,(H2,21,22,23,24)
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n/an/a 50n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonistic activity against neuropeptide Y receptor type 5 subtype stably expressed in LM(tk-)cells


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50089043
PNG
(CHEMBL17417 | N*2*-{2-[1-(Naphthalene-1-sulfonyl)-...)
Show SMILES Nc1nc(NCCC2CCN(CC2)S(=O)(=O)c2cccc3ccccc23)nc2ccccc12
Show InChI InChI=1S/C25H27N5O2S/c26-24-21-9-3-4-10-22(21)28-25(29-24)27-15-12-18-13-16-30(17-14-18)33(31,32)23-11-5-7-19-6-1-2-8-20(19)23/h1-11,18H,12-17H2,(H3,26,27,28,29)
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n/an/a 51n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonistic activity against neuropeptide Y receptor type 5 subtype stably expressed in LM(tk-)cells


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50089032
PNG
(CHEMBL17395 | N-{4-[4-(4-Chloro-phenylamino)-quina...)
Show SMILES CN(C[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Cl)cc2)c2ccccc2n1)C(C)=O |wU:6.9,wD:3.2,(15.46,-3.75,;14.14,-4.52,;12.79,-3.76,;11.46,-4.52,;10.13,-3.76,;8.78,-4.54,;8.8,-6.08,;10.13,-6.84,;11.46,-6.08,;7.46,-6.85,;6.12,-6.08,;6.11,-4.54,;4.77,-3.78,;4.76,-2.23,;6.1,-1.45,;7.43,-2.22,;8.76,-1.44,;8.75,.11,;10.09,.88,;7.4,.86,;6.08,.09,;3.44,-4.55,;2.1,-3.78,;.77,-4.55,;.77,-6.11,;2.1,-6.87,;3.44,-6.1,;4.78,-6.87,;14.14,-6.08,;15.48,-6.83,;12.8,-6.84,)|
Show InChI InChI=1S/C24H28ClN5O/c1-16(31)30(2)15-17-7-11-20(12-8-17)27-24-28-22-6-4-3-5-21(22)23(29-24)26-19-13-9-18(25)10-14-19/h3-6,9-10,13-14,17,20H,7-8,11-12,15H2,1-2H3,(H2,26,27,28,29)/t17-,20-
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n/an/a 58n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonistic activity against neuropeptide Y receptor type 5 subtype stably expressed in LM(tk-)cells


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50282365
PNG
((S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-b...)
Show SMILES CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C25H31N5O3/c1-5-6-11-22(31)30(23(17(2)3)25(32)33-4)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)24-26-28-29-27-24/h7-10,12-15,17,23H,5-6,11,16H2,1-4H3,(H,26,27,28,29)/t23-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Angiotensin II receptor, type 1 in the absence of bovine serum albumin (BSA)


Bioorg Med Chem Lett 4: 29-34 (1994)


Article DOI: 10.1016/S0960-894X(01)81117-3
BindingDB Entry DOI: 10.7270/Q25Q4W14
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor


(Homo sapiens (Human))
BDBM50282370
PNG
((S)-3-Cyclohexyl-2-{pentanoyl-[2'-(1H-tetrazol-5-y...)
Show SMILES CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)[C@@H](CC1CCCCC1)C(O)=O
Show InChI InChI=1S/C28H35N5O3/c1-2-3-13-26(34)33(25(28(35)36)18-20-9-5-4-6-10-20)19-21-14-16-22(17-15-21)23-11-7-8-12-24(23)27-29-31-32-30-27/h7-8,11-12,14-17,20,25H,2-6,9-10,13,18-19H2,1H3,(H,35,36)(H,29,30,31,32)/t25-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of Angiotensin II receptor, type 1 in the absence of bovine serum albumin (BSA)


Bioorg Med Chem Lett 4: 29-34 (1994)


Article DOI: 10.1016/S0960-894X(01)81117-3
BindingDB Entry DOI: 10.7270/Q25Q4W14
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50089040
PNG
(CHEMBL17483 | N*2*,N*4*-Diphenyl-quinazoline-2,4-d...)
Show SMILES N(c1ccccc1)c1nc(Nc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C20H16N4/c1-3-9-15(10-4-1)21-19-17-13-7-8-14-18(17)23-20(24-19)22-16-11-5-2-6-12-16/h1-14H,(H2,21,22,23,24)
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n/an/a 80n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonistic activity against neuropeptide Y receptor type 5 subtype stably expressed in LM(tk-)cells


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50089067
PNG
(CHEMBL17326 | N*2*-(4-Chloro-phenyl)-N*4*-phenyl-q...)
Show SMILES Clc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1
Show InChI InChI=1S/C20H15ClN4/c21-14-10-12-16(13-11-14)23-20-24-18-9-5-4-8-17(18)19(25-20)22-15-6-2-1-3-7-15/h1-13H,(H2,22,23,24,25)
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n/an/a 100n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonistic activity against neuropeptide Y receptor type 5 subtype stably expressed in LM(tk-)cells


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5


(Homo sapiens (Human))
BDBM50089051
PNG
(CHEMBL17911 | Naphthalene-1-sulfonic acid {4-[(4-a...)
Show SMILES CN(C[C@H]1CC[C@H](CNc2nc(N)c3ccccc3n2)CC1)S(=O)(=O)c1cccc2ccccc12 |wU:6.6,wD:3.2,(11.05,-6.14,;11.27,-4.67,;9.78,-5.07,;8.45,-4.3,;8.47,-2.76,;7.14,-1.98,;5.79,-2.75,;4.46,-1.99,;3.13,-2.75,;1.78,-1.98,;1.78,-.43,;.43,.34,;.43,1.88,;-.9,-.44,;-2.24,.33,;-3.58,-.44,;-3.58,-1.99,;-2.24,-2.78,;-.9,-1.99,;.45,-2.76,;5.79,-4.29,;7.12,-5.06,;12.6,-5.44,;12.58,-3.9,;12.58,-6.98,;14.13,-5.44,;14.47,-3.94,;15.95,-3.48,;17.08,-4.53,;16.73,-6.02,;17.86,-7.07,;17.52,-8.57,;16.05,-9.03,;14.93,-7.98,;15.26,-6.48,)|
Show InChI InChI=1S/C27H31N5O2S/c1-32(35(33,34)25-12-6-8-21-7-2-3-9-22(21)25)18-20-15-13-19(14-16-20)17-29-27-30-24-11-5-4-10-23(24)26(28)31-27/h2-12,19-20H,13-18H2,1H3,(H3,28,29,30,31)/t19-,20-
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n/an/a 110n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Antagonistic activity against neuropeptide Y receptor type 5 subtype stably expressed in LM(tk-)cells


Bioorg Med Chem Lett 10: 1175-9 (2000)


BindingDB Entry DOI: 10.7270/Q2KH0MJP
More data for this
Ligand-Target Pair
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