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Compile Data Set for Download or QSAR

Found 410 hits with Last Name = 'hayashi' and Initial = 'h'   
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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM719
PNG
((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[...)
Show SMILES CSC[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C35H45N5O6S2/c1-34(2,3)39-32(44)30-35(4,5)48-21-40(30)33(45)29(42)25(17-22-11-8-7-9-12-22)38-31(43)26(20-47-6)37-28(41)19-46-27-14-10-13-23-18-36-16-15-24(23)27/h7-16,18,25-26,29-30,42H,17,19-21H2,1-6H3,(H,37,41)(H,38,43)(H,39,44)/t25-,26-,29-,30+/m0/s1
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0.00230 -69.1n/an/an/an/an/a6.237



National Cancer Institute



Assay Description
Inhibition constants were determined by a fluorometric assay with the fluorogenic substrate Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Lys(DABCYL)-Ar...


Antimicrob Agents Chemother 37: 810-7 (1993)


Article DOI: 10.1021/jm049353p
BindingDB Entry DOI: 10.7270/Q2KH0KHT
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM579
PNG
((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[...)
Show SMILES CSC[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C33H41N5O6S2/c1-33(2,3)37-31(42)26-19-46-20-38(26)32(43)29(40)24(15-21-9-6-5-7-10-21)36-30(41)25(18-45-4)35-28(39)17-44-27-12-8-11-22-16-34-14-13-23(22)27/h5-14,16,24-26,29,40H,15,17-20H2,1-4H3,(H,35,39)(H,36,41)(H,37,42)/t24-,25-,26-,29-/m0/s1
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0.00550 -66.9n/an/an/an/an/a6.237



National Cancer Institute



Assay Description
Inhibition constants were determined by a fluorometric assay with the fluorogenic substrate Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Lys(DABCYL)-Ar...


Antimicrob Agents Chemother 37: 810-7 (1993)


Article DOI: 10.1021/jm049353p
BindingDB Entry DOI: 10.7270/Q2KH0KHT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM793
PNG
((2S)-N-[(2S,3S)-4-[(4R)-4-(tert-butylcarbamoyl)-5,...)
Show SMILES CC(C)(C)NC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)COc1cccc2ccccc12 |r|
Show InChI InChI=1S/C36H45N5O7S/c1-35(2,3)40-33(46)31-36(4,5)49-21-41(31)34(47)30(44)25(18-22-12-7-6-8-13-22)39-32(45)26(19-28(37)42)38-29(43)20-48-27-17-11-15-23-14-9-10-16-24(23)27/h6-17,25-26,30-31,44H,18-21H2,1-5H3,(H2,37,42)(H,38,43)(H,39,45)(H,40,46)/t25-,26-,30-,31+/m0/s1
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0.00680 -66.3n/an/an/an/an/a6.237



National Cancer Institute



Assay Description
Inhibition constants were determined by a fluorometric assay with the fluorogenic substrate Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Lys(DABCYL)-Ar...


Antimicrob Agents Chemother 37: 810-7 (1993)


Article DOI: 10.1021/jm049353p
BindingDB Entry DOI: 10.7270/Q2KH0KHT
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50004276
PNG
(1-Isopropyl-2-oxo-1,2-dihydro-quinoline-4-carboxyl...)
Show SMILES CC(C)n1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:16:17:24:20.21|
Show InChI InChI=1S/C21H26N2O3/c1-13(2)23-19-7-5-4-6-17(19)18(12-20(23)24)21(25)26-16-10-14-8-9-15(11-16)22(14)3/h4-7,12-16H,8-11H2,1-3H3
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0.0320n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL




J Med Chem 35: 4893-902 (1992)


BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM719
PNG
((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[...)
Show SMILES CSC[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C35H45N5O6S2/c1-34(2,3)39-32(44)30-35(4,5)48-21-40(30)33(45)29(42)25(17-22-11-8-7-9-12-22)38-31(43)26(20-47-6)37-28(41)19-46-27-14-10-13-23-18-36-16-15-24(23)27/h7-16,18,25-26,29-30,42H,17,19-21H2,1-6H3,(H,37,41)(H,38,43)(H,39,44)/t25-,26-,29-,30+/m0/s1
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0.0880 -59.7n/an/an/an/an/a6.037



Japan Energy Corporation



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...


J Med Chem 42: 1789-802 (1999)


Article DOI: 10.1021/jm980637h
BindingDB Entry DOI: 10.7270/Q2MG7MP3
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM718
PNG
((4R)-3-[(2S,3S)-3-[(2-ethyl-3-hydroxyphenyl)formam...)
Show SMILES CCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1C |r|
Show InChI InChI=1S/C33H39N3O5S/c1-5-24-25(16-11-17-27(24)37)30(39)35-26(18-22-13-7-6-8-14-22)28(38)32(41)36-20-42-33(3,4)29(36)31(40)34-19-23-15-10-9-12-21(23)2/h6-17,26,28-29,37-38H,5,18-20H2,1-4H3,(H,34,40)(H,35,39)/t26-,28-,29+/m0/s1
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0.160 -58.2n/an/an/an/an/a6.037



Japan Energy Corporation



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...


J Med Chem 42: 1789-802 (1999)


Article DOI: 10.1021/jm980637h
BindingDB Entry DOI: 10.7270/Q2MG7MP3
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM717
PNG
((4R)-N-[(2-chlorophenyl)methyl]-3-[(2S,3S)-2-hydro...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1Cl |r|
Show InChI InChI=1S/C31H34ClN3O5S/c1-19-22(13-9-15-25(19)36)28(38)34-24(16-20-10-5-4-6-11-20)26(37)30(40)35-18-41-31(2,3)27(35)29(39)33-17-21-12-7-8-14-23(21)32/h4-15,24,26-27,36-37H,16-18H2,1-3H3,(H,33,39)(H,34,38)/t24-,26-,27+/m0/s1
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0.290 -56.6n/an/an/an/an/a6.037



Japan Energy Corporation



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...


J Med Chem 42: 1789-802 (1999)


Article DOI: 10.1021/jm980637h
BindingDB Entry DOI: 10.7270/Q2MG7MP3
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50004292
PNG
(2-Isopropoxy-quinoline-4-carboxylic acid 8-methyl-...)
Show SMILES CC(C)Oc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:9:10:17:13.14|
Show InChI InChI=1S/C21H26N2O3/c1-13(2)25-20-12-18(17-6-4-5-7-19(17)22-20)21(24)26-16-10-14-8-9-15(11-16)23(14)3/h4-7,12-16H,8-11H2,1-3H3
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0.310n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL




J Med Chem 35: 4893-902 (1992)


BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50004279
PNG
(2-Propoxy-quinoline-4-carboxylic acid 8-methyl-8-a...)
Show SMILES CCCOc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:9:10:17:13.14|
Show InChI InChI=1S/C21H26N2O3/c1-3-10-25-20-13-18(17-6-4-5-7-19(17)22-20)21(24)26-16-11-14-8-9-15(12-16)23(14)2/h4-7,13-16H,3,8-12H2,1-2H3
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0.320n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL




J Med Chem 35: 4893-902 (1992)


BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM580
PNG
((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...)
Show SMILES Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C |r|
Show InChI InChI=1S/C32H37N3O5S/c1-20-11-8-9-14-23(20)18-33-30(39)28-32(3,4)41-19-35(28)31(40)27(37)25(17-22-12-6-5-7-13-22)34-29(38)24-15-10-16-26(36)21(24)2/h5-16,25,27-28,36-37H,17-19H2,1-4H3,(H,33,39)(H,34,38)/t25-,27-,28+/m0/s1
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0.330 -56.3n/an/an/an/an/a6.037



Japan Energy Corporation



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...


J Med Chem 42: 1789-802 (1999)


Article DOI: 10.1021/jm980637h
BindingDB Entry DOI: 10.7270/Q2MG7MP3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50004288
PNG
(2-Butoxy-quinoline-4-carboxylic acid 8-methyl-8-az...)
Show SMILES CCCCOc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:10:11:18:14.15|
Show InChI InChI=1S/C22H28N2O3/c1-3-4-11-26-21-14-19(18-7-5-6-8-20(18)23-21)22(25)27-17-12-15-9-10-16(13-17)24(15)2/h5-8,14-17H,3-4,9-13H2,1-2H3
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0.390n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL




J Med Chem 35: 4893-902 (1992)


BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50004284
PNG
(2-Isobutoxy-quinoline-4-carboxylic acid 8-methyl-8...)
Show SMILES CC(C)COc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:10:11:18:14.15|
Show InChI InChI=1S/C22H28N2O3/c1-14(2)13-26-21-12-19(18-6-4-5-7-20(18)23-21)22(25)27-17-10-15-8-9-16(11-17)24(15)3/h4-7,12,14-17H,8-11,13H2,1-3H3
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0.440n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL




J Med Chem 35: 4893-902 (1992)


BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50004268
PNG
(2-Oxo-1-propyl-1,2-dihydro-quinoline-4-carboxylic ...)
Show SMILES CCCn1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:16:17:24:20.21|
Show InChI InChI=1S/C21H26N2O3/c1-3-10-23-19-7-5-4-6-17(19)18(13-20(23)24)21(25)26-16-11-14-8-9-15(12-16)22(14)2/h4-7,13-16H,3,8-12H2,1-2H3
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0.450n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL




J Med Chem 35: 4893-902 (1992)


BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50004297
PNG
(1-Isobutyl-2-oxo-1,2-dihydro-quinoline-4-carboxyli...)
Show SMILES CC(C)Cn1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:17:18:25:21.22|
Show InChI InChI=1S/C22H28N2O3/c1-14(2)13-24-20-7-5-4-6-18(20)19(12-21(24)25)22(26)27-17-10-15-8-9-16(11-17)23(15)3/h4-7,12,14-17H,8-11,13H2,1-3H3
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0.470n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL




J Med Chem 35: 4893-902 (1992)


BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50042067
PNG
(1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-ca...)
Show SMILES CCCCn1c2ccccc2c(O)c(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:16:17:24:20.21|
Show InChI InChI=1S/C22H29N3O3/c1-3-4-11-25-18-8-6-5-7-17(18)20(26)19(22(25)28)21(27)23-14-12-15-9-10-16(13-14)24(15)2/h5-8,14-16,26H,3-4,9-13H2,1-2H3,(H,23,27)
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0.480n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against radioligand [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in neuroblastoma-glioma (NG108-15) cells.


J Med Chem 36: 617-26 (1993)


BindingDB Entry DOI: 10.7270/Q25B034N
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50004278
PNG
(2-Oxo-1-phenyl-1,2-dihydro-quinoline-4-carboxylic ...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cc(=O)n(-c2ccccc2)c2ccccc12 |THB:9:7:1:3.4|
Show InChI InChI=1S/C24H24N2O3/c1-25-17-11-12-18(25)14-19(13-17)29-24(28)21-15-23(27)26(16-7-3-2-4-8-16)22-10-6-5-9-20(21)22/h2-10,15,17-19H,11-14H2,1H3
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0.510n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL




J Med Chem 35: 4893-902 (1992)


BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50004286
PNG
(2-Methoxy-quinoline-4-carboxylic acid 8-methyl-8-a...)
Show SMILES COc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:7:8:15:11.12|
Show InChI InChI=1S/C19H22N2O3/c1-21-12-7-8-13(21)10-14(9-12)24-19(22)16-11-18(23-2)20-17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3
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0.580n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL




J Med Chem 35: 4893-902 (1992)


BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50004287
PNG
(1-Butyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic a...)
Show SMILES CCCCn1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:17:18:25:21.22|
Show InChI InChI=1S/C22H28N2O3/c1-3-4-11-24-20-8-6-5-7-18(20)19(14-21(24)25)22(26)27-17-12-15-9-10-16(13-17)23(15)2/h5-8,14-17H,3-4,9-13H2,1-2H3
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0.680n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL




J Med Chem 35: 4893-902 (1992)


BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM579
PNG
((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[...)
Show SMILES CSC[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C33H41N5O6S2/c1-33(2,3)37-31(42)26-19-46-20-38(26)32(43)29(40)24(15-21-9-6-5-7-10-21)36-30(41)25(18-45-4)35-28(39)17-44-27-12-8-11-22-16-34-14-13-23(22)27/h5-14,16,24-26,29,40H,15,17-20H2,1-4H3,(H,35,39)(H,36,41)(H,37,42)/t24-,25-,26-,29-/m0/s1
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0.740 -54.2n/an/an/an/an/a6.037



Japan Energy Corporation



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...


J Med Chem 42: 1789-802 (1999)


Article DOI: 10.1021/jm980637h
BindingDB Entry DOI: 10.7270/Q2MG7MP3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50004295
PNG
(2-Pentyloxy-quinoline-4-carboxylic acid 8-methyl-8...)
Show SMILES CCCCCOc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:11:12:19:15.16|
Show InChI InChI=1S/C23H30N2O3/c1-3-4-7-12-27-22-15-20(19-8-5-6-9-21(19)24-22)23(26)28-18-13-16-10-11-17(14-18)25(16)2/h5-6,8-9,15-18H,3-4,7,10-14H2,1-2H3
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0.860n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL




J Med Chem 35: 4893-902 (1992)


BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50004282
PNG
(2-Ethoxy-quinoline-4-carboxylic acid 8-methyl-8-az...)
Show SMILES CCOc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:8:9:16:12.13|
Show InChI InChI=1S/C20H24N2O3/c1-3-24-19-12-17(16-6-4-5-7-18(16)21-19)20(23)25-15-10-13-8-9-14(11-15)22(13)2/h4-7,12-15H,3,8-11H2,1-2H3
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0.880n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL




J Med Chem 35: 4893-902 (1992)


BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50004296
PNG
(2-Oxo-1-pentyl-1,2-dihydro-quinoline-4-carboxylic ...)
Show SMILES CCCCCn1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:18:19:26:22.23|
Show InChI InChI=1S/C23H30N2O3/c1-3-4-7-12-25-21-9-6-5-8-19(21)20(15-22(25)26)23(27)28-18-13-16-10-11-17(14-18)24(16)2/h5-6,8-9,15-18H,3-4,7,10-14H2,1-2H3
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0.960n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL




J Med Chem 35: 4893-902 (1992)


BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50004273
PNG
(1-Ethyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic a...)
Show SMILES CCn1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:15:16:23:19.20|
Show InChI InChI=1S/C20H24N2O3/c1-3-22-18-7-5-4-6-16(18)17(12-19(22)23)20(24)25-15-10-13-8-9-14(11-15)21(13)2/h4-7,12-15H,3,8-11H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL




J Med Chem 35: 4893-902 (1992)


BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50004300
PNG
(1-Hexyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic a...)
Show SMILES CCCCCCn1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:19:20:27:23.24|
Show InChI InChI=1S/C24H32N2O3/c1-3-4-5-8-13-26-22-10-7-6-9-20(22)21(16-23(26)27)24(28)29-19-14-17-11-12-18(15-19)25(17)2/h6-7,9-10,16-19H,3-5,8,11-15H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL




J Med Chem 35: 4893-902 (1992)


BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50004266
PNG
(1-Benzyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic ...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cc(=O)n(Cc2ccccc2)c2ccccc12 |THB:9:7:1:3.4|
Show InChI InChI=1S/C25H26N2O3/c1-26-18-11-12-19(26)14-20(13-18)30-25(29)22-15-24(28)27(16-17-7-3-2-4-8-17)23-10-6-5-9-21(22)23/h2-10,15,18-20H,11-14,16H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL




J Med Chem 35: 4893-902 (1992)


BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM712
PNG
((4R)-N-tert-butyl-3-[(2S,3S)-3-[2-(2,6-dimethylphe...)
Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C30H41N3O5S/c1-19-12-11-13-20(2)25(19)38-17-23(34)31-22(16-21-14-9-8-10-15-21)24(35)28(37)33-18-39-30(6,7)26(33)27(36)32-29(3,4)5/h8-15,22,24,26,35H,16-18H2,1-7H3,(H,31,34)(H,32,36)/t22-,24-,26+/m0/s1
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1.40 -52.6n/an/an/an/an/a6.037



Japan Energy Corporation



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...


J Med Chem 42: 1789-802 (1999)


Article DOI: 10.1021/jm980637h
BindingDB Entry DOI: 10.7270/Q2MG7MP3
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50042062
PNG
(4-Hydroxy-2-oxo-1-phenyl-1,2-dihydro-quinoline-3-c...)
Show SMILES CN1C2CCC1CC(C2)NC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O |THB:9:7:1:3.4|
Show InChI InChI=1S/C24H25N3O3/c1-26-17-11-12-18(26)14-15(13-17)25-23(29)21-22(28)19-9-5-6-10-20(19)27(24(21)30)16-7-3-2-4-8-16/h2-10,15,17-18,28H,11-14H2,1H3,(H,25,29)
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1.40n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against radioligand [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in neuroblastoma-glioma (NG108-15) cells.


J Med Chem 36: 617-26 (1993)


BindingDB Entry DOI: 10.7270/Q25B034N
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50004291
PNG
(1-(3-Methyl-butyl)-2-oxo-1,2-dihydro-quinoline-4-c...)
Show SMILES CC(C)CCn1c2ccccc2c(cc1=O)C(=O)OC1CC2CCC(C1)N2C |TLB:18:19:26:22.23|
Show InChI InChI=1S/C23H30N2O3/c1-15(2)10-11-25-21-7-5-4-6-19(21)20(14-22(25)26)23(27)28-18-12-16-8-9-17(13-18)24(16)3/h4-7,14-18H,8-13H2,1-3H3
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1.5n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL




J Med Chem 35: 4893-902 (1992)


BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50042065
PNG
(4-Hydroxy-quinoline-3-carboxylic acid (8-methyl-8-...)
Show SMILES CN1C2CCC1CC(C2)NC(=O)c1cnc2ccccc2c1O |THB:9:7:1:3.4|
Show InChI InChI=1S/C18H21N3O2/c1-21-12-6-7-13(21)9-11(8-12)20-18(23)15-10-19-16-5-3-2-4-14(16)17(15)22/h2-5,10-13H,6-9H2,1H3,(H,19,22)(H,20,23)
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1.5n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against radioligand [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in neuroblastoma-glioma (NG108-15) cells.


J Med Chem 36: 617-26 (1993)


BindingDB Entry DOI: 10.7270/Q25B034N
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50000483
PNG
((BRL 43694)1-Methyl-1H-indazole-3-carboxylic acid ...)
Show SMILES CN1C2CCCC1CC(C2)NC(=O)c1nn(C)c2ccccc12 |THB:10:8:1:3.5.4|
Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)
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2.10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL




J Med Chem 35: 4893-902 (1992)


BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50449636
PNG
(BRL-43694 | GRANISETRON | Kytril | LY-278584 | San...)
Show SMILES [H][C@]12CCC[C@]([H])(C[C@H](C1)NC(=O)c1nn(C)c3ccccc13)N2C |r,TLB:24:23:8.9.7:2.4.3|
Show InChI InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13-,14+
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2.10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against radioligand [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in neuroblastoma-glioma (NG108-15) cells.


J Med Chem 36: 617-26 (1993)


BindingDB Entry DOI: 10.7270/Q25B034N
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM715
PNG
((4R)-N-tert-butyl-3-[(2S,3S)-3-[(2-ethyl-3-hydroxy...)
Show SMILES CCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C29H39N3O5S/c1-7-19-20(14-11-15-22(19)33)25(35)30-21(16-18-12-9-8-10-13-18)23(34)27(37)32-17-38-29(5,6)24(32)26(36)31-28(2,3)4/h8-15,21,23-24,33-34H,7,16-17H2,1-6H3,(H,30,35)(H,31,36)/t21-,23-,24+/m0/s1
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2.24 -51.4n/an/an/an/an/a6.037



Japan Energy Corporation



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...


J Med Chem 42: 1789-802 (1999)


Article DOI: 10.1021/jm980637h
BindingDB Entry DOI: 10.7270/Q2MG7MP3
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50004299
PNG
(1-Methyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic ...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cc(=O)n(C)c2ccccc12 |THB:9:7:1:3.4|
Show InChI InChI=1S/C19H22N2O3/c1-20-12-7-8-13(20)10-14(9-12)24-19(23)16-11-18(22)21(2)17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3
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2.60n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL




J Med Chem 35: 4893-902 (1992)


BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50004271
PNG
(2-Hexyloxy-quinoline-4-carboxylic acid 8-methyl-8-...)
Show SMILES CCCCCCOc1cc(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2n1 |TLB:12:13:20:16.17|
Show InChI InChI=1S/C24H32N2O3/c1-3-4-5-8-13-28-23-16-21(20-9-6-7-10-22(20)25-23)24(27)29-19-14-17-11-12-18(15-19)26(17)2/h6-7,9-10,16-19H,3-5,8,11-15H2,1-2H3
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3.20n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL




J Med Chem 35: 4893-902 (1992)


BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194208
PNG
((1S,2R)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...)
Show SMILES Clc1ccc(CNCC[C@H]2C[C@@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50004275
PNG
(2-Oxo-1,2-dihydro-quinoline-4-carboxylic acid 8-me...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cc(=O)[nH]c2ccccc12 |THB:9:7:1:3.4|
Show InChI InChI=1S/C18H20N2O3/c1-20-11-6-7-12(20)9-13(8-11)23-18(22)15-10-17(21)19-16-5-3-2-4-14(15)16/h2-5,10-13H,6-9H2,1H3,(H,19,21)
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4.40n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL




J Med Chem 35: 4893-902 (1992)


BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50330441
PNG
(3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)buty...)
Show SMILES Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O
Show InChI InChI=1S/C25H32N6O/c26-31-24(28-22-10-4-2-8-20(22)25(31)32)11-5-6-14-29-15-17-30(18-16-29)23-13-12-19-7-1-3-9-21(19)27-23/h1,3,7,9,12-13H,2,4-6,8,10-11,14-18,26H2
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4.72n/an/an/an/an/an/an/an/a



ASKA Pharmaceutical Co, Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT3 receptor


J Med Chem 53: 7549-63 (2010)


Article DOI: 10.1021/jm1002292
BindingDB Entry DOI: 10.7270/Q27082D1
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM714
PNG
((4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(3-hydro...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C28H37N3O5S/c1-17-19(13-10-14-21(17)32)24(34)29-20(15-18-11-8-7-9-12-18)22(33)26(36)31-16-37-28(5,6)23(31)25(35)30-27(2,3)4/h7-14,20,22-23,32-33H,15-16H2,1-6H3,(H,29,34)(H,30,35)/t20-,22-,23+/m0/s1
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5.14 -49.2n/an/an/an/an/a6.037



Japan Energy Corporation



Assay Description
Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments...


J Med Chem 42: 1789-802 (1999)


Article DOI: 10.1021/jm980637h
BindingDB Entry DOI: 10.7270/Q2MG7MP3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194202
PNG
((1S,2R)-trans-2-[2-(cyclohexylmethylamino)ethyl]-1...)
Show SMILES C(C[C@H]1C[C@@H]1c1cnc[nH]1)NCC1CCCCC1
Show InChI InChI=1S/C15H25N3/c1-2-4-12(5-3-1)9-16-7-6-13-8-14(13)15-10-17-11-18-15/h10-14,16H,1-9H2,(H,17,18)/t13-,14-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23
Show InChI InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1
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5.5n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL




Bioorg Med Chem Lett 10: 2087-90 (2000)


BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50042066
PNG
(4-Hydroxy-quinoline-3-carboxylic acid 8-methyl-8-a...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cnc2ccccc2c1O |THB:9:7:1:3.4|
Show InChI InChI=1S/C18H20N2O3/c1-20-11-6-7-12(20)9-13(8-11)23-18(22)15-10-19-16-5-3-2-4-14(16)17(15)21/h2-5,10-13H,6-9H2,1H3,(H,19,21)
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6.10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against radioligand [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in neuroblastoma-glioma (NG108-15) cells.


J Med Chem 36: 617-26 (1993)


BindingDB Entry DOI: 10.7270/Q25B034N
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50042061
PNG
(1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-[1,8]naphthyri...)
Show SMILES CCCCn1c2ncccc2c(O)c(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:16:17:24:20.21|
Show InChI InChI=1S/C21H28N4O3/c1-3-4-10-25-19-16(6-5-9-22-19)18(26)17(21(25)28)20(27)23-13-11-14-7-8-15(12-13)24(14)2/h5-6,9,13-15,26H,3-4,7-8,10-12H2,1-2H3,(H,23,27)
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6.40n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against radioligand [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in neuroblastoma-glioma (NG108-15) cells.


J Med Chem 36: 617-26 (1993)


BindingDB Entry DOI: 10.7270/Q25B034N
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50004290
PNG
(CHEMBL147262 | Quinoline-4-carboxylic acid 8-methy...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1ccnc2ccccc12 |THB:9:7:1:3.4|
Show InChI InChI=1S/C18H20N2O2/c1-20-12-6-7-13(20)11-14(10-12)22-18(21)16-8-9-19-17-5-3-2-4-15(16)17/h2-5,8-9,12-14H,6-7,10-11H2,1H3
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7.10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL




J Med Chem 35: 4893-902 (1992)


BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50042059
PNG
(4-Hydroxy-2-methyl-quinoline-3-carboxylic acid (8-...)
Show SMILES CN1C2CCC1CC(C2)NC(=O)c1c(C)nc2ccccc2c1O |THB:9:7:1:3.4|
Show InChI InChI=1S/C19H23N3O2/c1-11-17(18(23)15-5-3-4-6-16(15)20-11)19(24)21-12-9-13-7-8-14(10-12)22(13)2/h3-6,12-14H,7-10H2,1-2H3,(H,20,23)(H,21,24)
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7.20n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against radioligand [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in neuroblastoma-glioma (NG108-15) cells.


J Med Chem 36: 617-26 (1993)


BindingDB Entry DOI: 10.7270/Q25B034N
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM85330
PNG
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
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7.60n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co.

Curated by ChEMBL




J Med Chem 35: 4893-902 (1992)


BindingDB Entry DOI: 10.7270/Q2BK1CZ2
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM85330
PNG
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
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7.60n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against radioligand [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in neuroblastoma-glioma (NG108-15) cells.


J Med Chem 36: 617-26 (1993)


BindingDB Entry DOI: 10.7270/Q25B034N
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50047883
PNG
(4-Hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic...)
Show SMILES CN1C2CCC1CC(C2)NC(=O)c1c(O)c2ccccc2[nH]c1=O |THB:9:7:1:3.4|
Show InChI InChI=1S/C18H21N3O3/c1-21-11-6-7-12(21)9-10(8-11)19-17(23)15-16(22)13-4-2-3-5-14(13)20-18(15)24/h2-5,10-12H,6-9H2,1H3,(H,19,23)(H2,20,22,24)
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7.60n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against radioligand [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in neuroblastoma-glioma (NG108-15) cells.


J Med Chem 36: 617-26 (1993)


BindingDB Entry DOI: 10.7270/Q25B034N
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194205
PNG
((1R,2S)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...)
Show SMILES Clc1ccc(CNCC[C@@H]2C[C@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m1/s1
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7.60n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23
Show InChI InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1
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7.70n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity for Protein kinase C gamma C1b domain


Bioorg Med Chem Lett 10: 2087-90 (2000)


BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50057511
PNG
((+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9...)
Show SMILES CC(C)[C@@H]1N(C)c2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23
Show InChI InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1
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8.30n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]- PDBu from Protein kinase C delta C1b domain


Bioorg Med Chem Lett 10: 2087-90 (2000)


BindingDB Entry DOI: 10.7270/Q22F7NZS
More data for this
Ligand-Target Pair
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