BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'kimura' 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
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4227
PNG
(AHPBA 35a | Z-Asn.(2S,3S)-AHPBA-[3(R)-hydroxy]Pro ...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C(O)CCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H41N5O8/c1-31(2,3)35-28(41)25-23(37)14-15-36(25)29(42)26(39)21(16-19-10-6-4-7-11-19)33-27(40)22(17-24(32)38)34-30(43)44-18-20-12-8-5-9-13-20/h4-13,21-23,25-26,37,39H,14-18H2,1-3H3,(H2,32,38)(H,33,40)(H,34,43)(H,35,41)/t21-,22-,23?,25-,26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.100 -59.4n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4216
PNG
(AHPBA 24a | Z.Asn-(2S,3S)-AHPBA-[4(S)-hydroxy]Pro ...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CC(O)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H41N5O8/c1-31(2,3)35-28(41)24-15-21(37)17-36(24)29(42)26(39)22(14-19-10-6-4-7-11-19)33-27(40)23(16-25(32)38)34-30(43)44-18-20-12-8-5-9-13-20/h4-13,21-24,26,37,39H,14-18H2,1-3H3,(H2,32,38)(H,33,40)(H,34,43)(H,35,41)/t21?,22-,23-,24-,26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1 -53.4n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4224
PNG
(AHPBA 32a | Z.Asn.( 2S,3S).AHPBA. [ 4( S)-morpholi...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CC(CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)N1CCOCC1 |r|
Show InChI InChI=1S/C35H48N6O8/c1-35(2,3)39-32(45)28-19-25(40-14-16-48-17-15-40)21-41(28)33(46)30(43)26(18-23-10-6-4-7-11-23)37-31(44)27(20-29(36)42)38-34(47)49-22-24-12-8-5-9-13-24/h4-13,25-28,30,43H,14-22H2,1-3H3,(H2,36,42)(H,37,44)(H,38,47)(H,39,45)/t25?,26-,27-,28-,30-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1 -53.4n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4236
PNG
((2S)-N-[(2S,3S)-4-[(2S,4S)-2-(tert-butylcarbamoyl)...)
Show SMILES COc1cccc2cc(oc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C33H40ClN5O8/c1-33(2,3)38-30(43)23-15-20(34)17-39(23)32(45)27(41)21(13-18-9-6-5-7-10-18)36-29(42)22(16-26(35)40)37-31(44)25-14-19-11-8-12-24(46-4)28(19)47-25/h5-12,14,20-23,27,41H,13,15-17H2,1-4H3,(H2,35,40)(H,36,42)(H,37,44)(H,38,43)/t20-,21-,22-,23-,27-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 4.5 -49.6n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4230
PNG
((2S)-N-[(2S,3S)-4-[(2S,4S)-2-(tert-butylcarbamoyl)...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1cnc2ccccc2n1 |r|
Show InChI InChI=1S/C32H38ClN7O6/c1-32(2,3)39-30(45)25-14-19(33)17-40(25)31(46)27(42)22(13-18-9-5-4-6-10-18)37-28(43)23(15-26(34)41)38-29(44)24-16-35-20-11-7-8-12-21(20)36-24/h4-12,16,19,22-23,25,27,42H,13-15,17H2,1-3H3,(H2,34,41)(H,37,43)(H,38,44)(H,39,45)/t19-,22-,23-,25-,27-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4.70 -49.4n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4218
PNG
(AHPBA 26a | Z.Asn-(2S,3S).AHPBA.[4(S).chloro]Pro t...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CC(Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H40ClN5O7/c1-31(2,3)36-28(41)24-15-21(32)17-37(24)29(42)26(39)22(14-19-10-6-4-7-11-19)34-27(40)23(16-25(33)38)35-30(43)44-18-20-12-8-5-9-13-20/h4-13,21-24,26,39H,14-18H2,1-3H3,(H2,33,38)(H,34,40)(H,35,43)(H,36,41)/t21?,22-,23-,24-,26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 8 -48.1n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4225
PNG
(AHPBA 33a | Z-Asn.(2S,3S)-AHPBA.(4.oxo)Pro tert-bu...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CC(=O)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H39N5O8/c1-31(2,3)35-28(41)24-15-21(37)17-36(24)29(42)26(39)22(14-19-10-6-4-7-11-19)33-27(40)23(16-25(32)38)34-30(43)44-18-20-12-8-5-9-13-20/h4-13,22-24,26,39H,14-18H2,1-3H3,(H2,32,38)(H,33,40)(H,34,43)(H,35,41)/t22-,23-,24-,26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 12.5 -46.9n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4231
PNG
((2S)-N-[(2S,3S)-4-[(2S,4S)-2-(tert-butylcarbamoyl)...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1cc2cc(F)ccc2[nH]1 |r|
Show InChI InChI=1S/C32H38ClFN6O6/c1-32(2,3)39-30(45)25-14-19(33)16-40(25)31(46)27(42)22(11-17-7-5-4-6-8-17)37-29(44)24(15-26(35)41)38-28(43)23-13-18-12-20(34)9-10-21(18)36-23/h4-10,12-13,19,22,24-25,27,36,42H,11,14-16H2,1-3H3,(H2,35,41)(H,37,44)(H,38,43)(H,39,45)/t19-,22-,24-,25-,27-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 12.5 -46.9n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4229
PNG
(AHPBA 37a | Z-Asn.(2S,3S)-AHPBA.[3(S)-chloro]Pro t...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1[C@@H](Cl)CCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H40ClN5O7/c1-31(2,3)36-28(41)25-21(32)14-15-37(25)29(42)26(39)22(16-19-10-6-4-7-11-19)34-27(40)23(17-24(33)38)35-30(43)44-18-20-12-8-5-9-13-20/h4-13,21-23,25-26,39H,14-18H2,1-3H3,(H2,33,38)(H,34,40)(H,35,43)(H,36,41)/t21-,22-,23-,25-,26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 14.5 -46.5n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4234
PNG
((1-Methylindazole-3-carbonyl)-Asn-(2S,3S)-AHPBA-[4...)
Show SMILES Cn1nc(C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c2ccccc12 |r|
Show InChI InChI=1S/C32H40ClN7O6/c1-32(2,3)37-29(44)24-15-19(33)17-40(24)31(46)27(42)21(14-18-10-6-5-7-11-18)35-28(43)22(16-25(34)41)36-30(45)26-20-12-8-9-13-23(20)39(4)38-26/h5-13,19,21-22,24,27,42H,14-17H2,1-4H3,(H2,34,41)(H,35,43)(H,36,45)(H,37,44)/t19-,21-,22-,24-,27-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 16 -46.3n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4221
PNG
(AHPBA 29a | Z-Asn-(2S,3S)-AHPBA- [4(S)-fluoro] Pro...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CC(F)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H40FN5O7/c1-31(2,3)36-28(41)24-15-21(32)17-37(24)29(42)26(39)22(14-19-10-6-4-7-11-19)34-27(40)23(16-25(33)38)35-30(43)44-18-20-12-8-5-9-13-20/h4-13,21-24,26,39H,14-18H2,1-3H3,(H2,33,38)(H,34,40)(H,35,43)(H,36,41)/t21?,22-,23-,24-,26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 18 -46.0n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4233
PNG
((1-Methylindole- 3 -carbonyl)- Asn - (2S,3S)-AHPBA...)
Show SMILES Cn1cc(C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c2ccccc12 |r|
Show InChI InChI=1S/C33H41ClN6O6/c1-33(2,3)38-31(45)26-15-20(34)17-40(26)32(46)28(42)23(14-19-10-6-5-7-11-19)36-30(44)24(16-27(35)41)37-29(43)22-18-39(4)25-13-9-8-12-21(22)25/h5-13,18,20,23-24,26,28,42H,14-17H2,1-4H3,(H2,35,41)(H,36,44)(H,37,43)(H,38,45)/t20-,23-,24-,26-,28-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 20 -45.7n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4232
PNG
((2S)-N-[(2S,3S)-4-[(2S,4S)-2-(tert-butylcarbamoyl)...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C33H41ClN6O7/c1-33(2,3)39-31(45)26-15-20(34)17-40(26)32(46)28(42)23(12-18-8-6-5-7-9-18)37-30(44)25(16-27(35)41)38-29(43)24-14-19-13-21(47-4)10-11-22(19)36-24/h5-11,13-14,20,23,25-26,28,36,42H,12,15-17H2,1-4H3,(H2,35,41)(H,37,44)(H,38,43)(H,39,45)/t20-,23-,25-,26-,28-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 21.5 -45.5n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4220
PNG
(AHPBA 28a | Z-Asn-(2S,3S)-AHPBA.[4(S)-bromo]Pro te...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CC(Br)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H40BrN5O7/c1-31(2,3)36-28(41)24-15-21(32)17-37(24)29(42)26(39)22(14-19-10-6-4-7-11-19)34-27(40)23(16-25(33)38)35-30(43)44-18-20-12-8-5-9-13-20/h4-13,21-24,26,39H,14-18H2,1-3H3,(H2,33,38)(H,34,40)(H,35,43)(H,36,41)/t21?,22-,23-,24-,26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 22.5 -45.4n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4235
PNG
((2S)-2-(1,2-benzoxazol-3-ylformamido)-N-[(2S,3S)-4...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1noc2ccccc12 |r|
Show InChI InChI=1S/C31H37ClN6O7/c1-31(2,3)36-28(42)22-14-18(32)16-38(22)30(44)26(40)20(13-17-9-5-4-6-10-17)34-27(41)21(15-24(33)39)35-29(43)25-19-11-7-8-12-23(19)45-37-25/h4-12,18,20-22,26,40H,13-16H2,1-3H3,(H2,33,39)(H,34,41)(H,35,43)(H,36,42)/t18-,20-,21-,22-,26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 28 -44.8n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4228
PNG
(AHPBA 36a | Z.Asn-(2S,3S).AHPBA.[3(S)-hydroxy]Pro ...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1[C@@H](O)CCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H41N5O8/c1-31(2,3)35-28(41)25-23(37)14-15-36(25)29(42)26(39)21(16-19-10-6-4-7-11-19)33-27(40)22(17-24(32)38)34-30(43)44-18-20-12-8-5-9-13-20/h4-13,21-23,25-26,37,39H,14-18H2,1-3H3,(H2,32,38)(H,33,40)(H,34,43)(H,35,41)/t21-,22-,23-,25-,26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
 32 -44.5n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4222
PNG
(AHPBA 30a | Z.Asn-(2S,3S)-AHPBA.(4,4-difluoro)Pro ...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CC(F)(F)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H39F2N5O7/c1-30(2,3)37-27(42)23-16-31(32,33)18-38(23)28(43)25(40)21(14-19-10-6-4-7-11-19)35-26(41)22(15-24(34)39)36-29(44)45-17-20-12-8-5-9-13-20/h4-13,21-23,25,40H,14-18H2,1-3H3,(H2,34,39)(H,35,41)(H,36,44)(H,37,42)/t21-,22-,23-,25-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 35 -44.3n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4217
PNG
(AHPBA 25a | Z.Asn.(2S,3S).AHPBA-[4(R).hydroxy]Pro ...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H41N5O8/c1-31(2,3)35-28(41)24-15-21(37)17-36(24)29(42)26(39)22(14-19-10-6-4-7-11-19)33-27(40)23(16-25(32)38)34-30(43)44-18-20-12-8-5-9-13-20/h4-13,21-24,26,37,39H,14-18H2,1-3H3,(H2,32,38)(H,33,40)(H,34,43)(H,35,41)/t21-,22+,23+,24+,26+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
 56 -43.1n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4215
PNG
(AHPBA 1a | benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-2-(t...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H41N5O7/c1-31(2,3)35-28(40)24-15-10-16-36(24)29(41)26(38)22(17-20-11-6-4-7-12-20)33-27(39)23(18-25(32)37)34-30(42)43-19-21-13-8-5-9-14-21/h4-9,11-14,22-24,26,38H,10,15-19H2,1-3H3,(H2,32,37)(H,33,39)(H,34,42)(H,35,40)/t22-,23-,24-,26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 57.5 -43.0n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4219
PNG
(AHPBA 27a | Z-Asn-( 2S,3S).AHPBA. [ 4(R ).chloro ]...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H40ClN5O7/c1-31(2,3)36-28(41)24-15-21(32)17-37(24)29(42)26(39)22(14-19-10-6-4-7-11-19)34-27(40)23(16-25(33)38)35-30(43)44-18-20-12-8-5-9-13-20/h4-13,21-24,26,39H,14-18H2,1-3H3,(H2,33,38)(H,34,40)(H,35,43)(H,36,41)/t21-,22+,23+,24+,26+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 90 -41.8n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4226
PNG
(AHPBA 34a | Z-Asn-(2S,3S)-AHPBA.(4,4-dimethoxy)Pro...)
Show SMILES COC1(C[C@H](N(C1)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C)OC |r|
Show InChI InChI=1S/C33H45N5O9/c1-32(2,3)37-29(42)25-18-33(45-4,46-5)20-38(25)30(43)27(40)23(16-21-12-8-6-9-13-21)35-28(41)24(17-26(34)39)36-31(44)47-19-22-14-10-7-11-15-22/h6-15,23-25,27,40H,16-20H2,1-5H3,(H2,34,39)(H,35,41)(H,36,44)(H,37,42)/t23-,24-,25-,27-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 92 -41.8n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4223
PNG
(AHPBA 31a | Z.Asn-(2S,3S)-AHPBA-[ 4(S)-phenylthio]...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CC(CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)Sc1ccccc1 |r|
Show InChI InChI=1S/C37H45N5O7S/c1-37(2,3)41-34(46)30-20-27(50-26-17-11-6-12-18-26)22-42(30)35(47)32(44)28(19-24-13-7-4-8-14-24)39-33(45)29(21-31(38)43)40-36(48)49-23-25-15-9-5-10-16-25/h4-18,27-30,32,44H,19-23H2,1-3H3,(H2,38,43)(H,39,45)(H,40,48)(H,41,46)/t27?,28-,29-,30-,32-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 125 -41.0n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50458163
PNG
(CHEMBL4209316)
Show SMILES CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(C)n2)nc2[C@@H](CCc12)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H24FN7O/c1-14-27-13-32(31-14)20-11-8-17(12-21(20)33-3)28-24-29-22-18(15-4-6-16(25)7-5-15)9-10-19(22)23(26-2)30-24/h4-8,11-13,18H,9-10H2,1-3H3,(H2,26,28,29,30)/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 8.30E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Time dependent inhibition of CYP3A4 in human liver microsomes assessed as inhibition constant

Citation and Details

Article DOI: 10.1021/acsmedchemlett.8b00541
BindingDB Entry DOI: 10.7270/Q24171P7
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50426561
PNG
(CHEMBL2323965)
Show SMILES Cc1cnc(C)c2nc(nn12)-c1ccn2cc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C20H16N6/c1-13-11-21-14(2)20-23-19(24-26(13)20)16-8-9-25-12-17(22-18(25)10-16)15-6-4-3-5-7-15/h3-12H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 0.100n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The PDE10 inhibition assay in 384-well plates was conducted to identify substances for the inhibition of cyclic nucleotide hydrolysis by the PDE10 en...

US Patent US8975276 (2015)


BindingDB Entry DOI: 10.7270/Q25M64F4
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50426560
PNG
(CHEMBL2323963)
Show SMILES Cc1cnc(C)c2nc(nn12)-c1ccn2cc(nc2c1)-c1cccc(c1)N1CC[C@H](F)C1 |r|
Show InChI InChI=1S/C24H22FN7/c1-15-12-26-16(2)24-28-23(29-32(15)24)18-6-8-31-14-21(27-22(31)11-18)17-4-3-5-20(10-17)30-9-7-19(25)13-30/h3-6,8,10-12,14,19H,7,9,13H2,1-2H3/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 0.160n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The PDE10 inhibition assay in 384-well plates was conducted to identify substances for the inhibition of cyclic nucleotide hydrolysis by the PDE10 en...

US Patent US8975276 (2015)


BindingDB Entry DOI: 10.7270/Q25M64F4
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50426559
PNG
(CHEMBL2323964)
Show SMILES Cc1cnc(C)c2nc(nn12)-c1ccn2cc(nc2c1)-c1ccccn1
Show InChI InChI=1S/C19H15N7/c1-12-10-21-13(2)19-23-18(24-26(12)19)14-6-8-25-11-16(22-17(25)9-14)15-5-3-4-7-20-15/h3-11H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 0.160n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The PDE10 inhibition assay in 384-well plates was conducted to identify substances for the inhibition of cyclic nucleotide hydrolysis by the PDE10 en...

US Patent US8975276 (2015)


BindingDB Entry DOI: 10.7270/Q25M64F4
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM149699
PNG
(US8975276, 26)
Show SMILES Cc1cnc(C)c2nc(nn12)-c1ccn2cc(nc2c1)-c1cccc(c1)C1CC1
Show InChI InChI=1S/C23H20N6/c1-14-12-24-15(2)23-26-22(27-29(14)23)19-8-9-28-13-20(25-21(28)11-19)18-5-3-4-17(10-18)16-6-7-16/h3-5,8-13,16H,6-7H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 0.330n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The PDE10 inhibition assay in 384-well plates was conducted to identify substances for the inhibition of cyclic nucleotide hydrolysis by the PDE10 en...

US Patent US8975276 (2015)


BindingDB Entry DOI: 10.7270/Q25M64F4
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM107112
PNG
(US8592423, 2-(2-(1-Ethyl-4-phenyl-1H-imidazol-2-yl...)
Show SMILES CCn1cc(nc1C1CC1c1nc2c(C)ncc(C)n2n1)-c1ccccc1
Show InChI InChI=1S/C21H22N6/c1-4-26-12-18(15-8-6-5-7-9-15)23-21(26)17-10-16(17)19-24-20-14(3)22-11-13(2)27(20)25-19/h5-9,11-12,16-17H,4,10H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1.79n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
PDE10 activity was measured using Scintillation Proximity Assay (SPA)-based methods. PDE10 catalyses the hydrolysis of the intracellular messenger ad...

US Patent US8592423 (2013)


BindingDB Entry DOI: 10.7270/Q24X56FC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM149700
PNG
(US8975276, 29)
Show SMILES Cc1c(nc2cc(ccn12)-c1nc2c(C)nccn2n1)-c1ccccc1
Show InChI InChI=1S/C20H16N6/c1-13-20-23-19(24-26(20)11-9-21-13)16-8-10-25-14(2)18(22-17(25)12-16)15-6-4-3-5-7-15/h3-12H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2.40n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The PDE10 inhibition assay in 384-well plates was conducted to identify substances for the inhibition of cyclic nucleotide hydrolysis by the PDE10 en...

US Patent US8975276 (2015)


BindingDB Entry DOI: 10.7270/Q25M64F4
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM149697
PNG
(US8975276, 17)
Show SMILES Cc1cnc(C)c2nc(nn12)-c1cc2nc(cn2cc1N1CCCC1)-c1ccccc1
Show InChI InChI=1S/C24H23N7/c1-16-13-25-17(2)24-27-23(28-31(16)24)19-12-22-26-20(18-8-4-3-5-9-18)14-30(22)15-21(19)29-10-6-7-11-29/h3-5,8-9,12-15H,6-7,10-11H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 3.5n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The PDE10 inhibition assay in 384-well plates was conducted to identify substances for the inhibition of cyclic nucleotide hydrolysis by the PDE10 en...

US Patent US8975276 (2015)


BindingDB Entry DOI: 10.7270/Q25M64F4
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50337114
PNG
(2'-((1R)-1-{(2R)-3-[2-Methyl-1-(naphthalen-2-yl)pr...)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C32H35NO4/c1-22(29-10-6-7-11-30(29)25-14-16-26(17-15-25)31(35)36)37-21-28(34)20-33-32(2,3)19-23-12-13-24-8-4-5-9-27(24)18-23/h4-18,22,28,33-34H,19-21H2,1-3H3,(H,35,36)/t22-,28-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay

ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50337116
PNG
(2'-((1R)-1-{(2R)-3-[2-methyl-1-(naphthalen-2-yl)pr...)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1-c1ccc(C(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C33H37NO4/c1-22-17-27(15-16-29(22)32(36)37)31-12-8-7-11-30(31)23(2)38-21-28(35)20-34-33(3,4)19-24-13-14-25-9-5-6-10-26(25)18-24/h5-18,23,28,34-35H,19-21H2,1-4H3,(H,36,37)/t23-,28-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay

ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM107116
PNG
(US8592423, 5,8-Dimethyl-2-(2-(4-phenyl-1-propyl-1H...)
Show SMILES CCCn1cc(nc1C1CC1c1nc2c(C)ncc(C)n2n1)-c1ccccc1
Show InChI InChI=1S/C22H24N6/c1-4-10-27-13-19(16-8-6-5-7-9-16)24-22(27)18-11-17(18)20-25-21-15(3)23-12-14(2)28(21)26-20/h5-9,12-13,17-18H,4,10-11H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 6.65n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
PDE10 activity was measured using Scintillation Proximity Assay (SPA)-based methods. PDE10 catalyses the hydrolysis of the intracellular messenger ad...

US Patent US8592423 (2013)


BindingDB Entry DOI: 10.7270/Q24X56FC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM149696
PNG
(US8975276, 7)
Show SMILES Cc1ccc(-c2cn3ccc(cc3n2)-c2nc3c(C)ncc(C)n3n2)c(C)c1
Show InChI InChI=1S/C22H20N6/c1-13-5-6-18(14(2)9-13)19-12-27-8-7-17(10-20(27)24-19)21-25-22-16(4)23-11-15(3)28(22)26-21/h5-12H,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 11n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The PDE10 inhibition assay in 384-well plates was conducted to identify substances for the inhibition of cyclic nucleotide hydrolysis by the PDE10 en...

US Patent US8975276 (2015)


BindingDB Entry DOI: 10.7270/Q25M64F4
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50337113
PNG
((RS)-2'-(1-{(2R)-3-[2-Methyl-1-(naphthalen-2-yl)pr...)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C32H35NO4/c1-22(29-10-6-7-11-30(29)25-14-16-26(17-15-25)31(35)36)37-21-28(34)20-33-32(2,3)19-23-12-13-24-8-4-5-9-27(24)18-23/h4-18,22,28,33-34H,19-21H2,1-3H3,(H,35,36)/t22?,28-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay

ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50337103
PNG
(2'-((1R)-1-{(2R)-3-[1-(4-Chloro-3-fluorophenyl)-2-...)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)c(F)c1)c1ccccc1-c1ccc(C(O)=O)c(C)c1 |r|
Show InChI InChI=1S/C29H33ClFNO4/c1-18-13-21(10-11-23(18)28(34)35)25-8-6-5-7-24(25)19(2)36-17-22(33)16-32-29(3,4)15-20-9-12-26(30)27(31)14-20/h5-14,19,22,32-33H,15-17H2,1-4H3,(H,34,35)/t19-,22-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay

ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM107115
PNG
(US8592423, 5,7-Dimethyl-2-(2-(1-methyl-4-phenyl-1H...)
Show SMILES Cc1cc(C)n2nc(nc2n1)C1CC1c1nc(cn1C)-c1ccccc1
Show InChI InChI=1S/C20H20N6/c1-12-9-13(2)26-20(21-12)23-18(24-26)15-10-16(15)19-22-17(11-25(19)3)14-7-5-4-6-8-14/h4-9,11,15-16H,10H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 14.5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
PDE10 activity was measured using Scintillation Proximity Assay (SPA)-based methods. PDE10 catalyses the hydrolysis of the intracellular messenger ad...

US Patent US8592423 (2013)


BindingDB Entry DOI: 10.7270/Q24X56FC
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50337105
PNG
((R)-1-((R)-cyclopropyl(2-(hydroxymethyl)phenyl)met...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)CO[C@H](C1CC1)c1ccccc1CO |r|
Show InChI InChI=1S/C28H35NO3/c1-28(2,16-20-11-12-21-7-3-4-8-23(21)15-20)29-17-25(31)19-32-27(22-13-14-22)26-10-6-5-9-24(26)18-30/h3-12,15,22,25,27,29-31H,13-14,16-19H2,1-2H3/t25-,27-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay

ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50337112
PNG
((RS)-3'-(1-{(2R)-3-[2-Methyl-1-(naphthalen-2-yl)pr...)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1cccc(c1)-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C32H35NO4/c1-22(27-9-6-10-29(18-27)25-13-15-26(16-14-25)31(35)36)37-21-30(34)20-33-32(2,3)19-23-11-12-24-7-4-5-8-28(24)17-23/h4-18,22,30,33-34H,19-21H2,1-3H3,(H,35,36)/t22?,30-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay

ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50337115
PNG
(2'-((1R)-1-{(2R)-3-[1-(4-Chloro-3-fluorophenyl)-2-...)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)c(F)c1)c1ccccc1-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C28H31ClFNO4/c1-18(23-6-4-5-7-24(23)20-9-11-21(12-10-20)27(33)34)35-17-22(32)16-31-28(2,3)15-19-8-13-25(29)26(30)14-19/h4-14,18,22,31-32H,15-17H2,1-3H3,(H,33,34)/t18-,22-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay

ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50320009
PNG
((R)-1-((R)-cyclopropyl(o-tolyl)methoxy)-3-(2-methy...)
Show SMILES Cc1ccccc1[C@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 |r|
Show InChI InChI=1S/C28H35NO2/c1-20-8-4-7-11-26(20)27(23-14-15-23)31-19-25(30)18-29-28(2,3)17-21-12-13-22-9-5-6-10-24(22)16-21/h4-13,16,23,25,27,29-30H,14-15,17-19H2,1-3H3/t25-,27-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay

ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50337104
PNG
(3-[2-((1R)-1-{(2R)-2-Hydroxy-3-[2-methyl-1-(naphth...)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1CCC(O)=O |r|
Show InChI InChI=1S/C28H35NO4/c1-20(26-11-7-6-9-23(26)14-15-27(31)32)33-19-25(30)18-29-28(2,3)17-21-12-13-22-8-4-5-10-24(22)16-21/h4-13,16,20,25,29-30H,14-15,17-19H2,1-3H3,(H,31,32)/t20-,25-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assay

ACS Med Chem Lett 2: 238-242 (2011)


Article DOI: 10.1021/ml100268k
BindingDB Entry DOI: 10.7270/Q21R6QT7
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM149698
PNG
(US8975276, 21)
Show SMILES Cc1cnc(C)c2nc(nn12)-c1ccn2cc(nc2c1)C1CC1
Show InChI InChI=1S/C17H16N6/c1-10-8-18-11(2)17-20-16(21-23(10)17)13-5-6-22-9-14(12-3-4-12)19-15(22)7-13/h5-9,12H,3-4H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 26n/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The PDE10 inhibition assay in 384-well plates was conducted to identify substances for the inhibition of cyclic nucleotide hydrolysis by the PDE10 en...

US Patent US8975276 (2015)


BindingDB Entry DOI: 10.7270/Q25M64F4
More data for this
Ligand-Target Pair
Chitinase B


(Serratia marcescens)		BDBM50089857
PNG
(Argadin)
Show SMILES [H][C@@]12C[C@@H](O)N([C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](CCCC(O)=O)C(=O)N[C@@H](CCCNC(=N)NC(C)=O)C(=O)N3CCC[C@]3([H])C(=O)N1)C2=O |r|
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase ChiB

J Med Chem 58: 4984-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00175
BindingDB Entry DOI: 10.7270/Q2VT1TV5
More data for this
Ligand-Target Pair
Chitinase B


(Serratia marcescens)		BDBM50089847
PNG
(CHEMBL3577620)
Show SMILES [H][C@@]12OC(C)(C)O[C@]([H])([C@H]1C)C(C)(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](OC(=O)NCCCNC(=N)NC(=O)NC)[C@H](C)[C@@H](OCC#C)[C@](C)(O)C[C@H]2C |r,@@:11|
Show InChI InChI=1S/C35H61N5O9/c1-13-18-45-28-22(5)26(47-32(43)39-17-15-16-38-30(36)40-31(42)37-12)23(6)29(41)46-24(14-2)33(7,8)27-21(4)25(48-34(9,10)49-27)20(3)19-35(28,11)44/h1,20-28,44H,14-19H2,2-12H3,(H,39,43)(H4,36,37,38,40,42)/t20-,21+,22+,23-,24-,25+,26+,27-,28-,35-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase ChiB assessed as reduction in chitinolytic activity using 4MU-(GlcNAc)2 substrate by fluorescence based a...

J Med Chem 58: 4984-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00175
BindingDB Entry DOI: 10.7270/Q2VT1TV5
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1


(Homo sapiens (Human))		BDBM50458163
PNG
(CHEMBL4209316)
Show SMILES CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(C)n2)nc2[C@@H](CCc12)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H24FN7O/c1-14-27-13-32(31-14)20-11-8-17(12-21(20)33-3)28-24-29-22-18(15-4-6-16(25)7-5-15)9-10-19(22)23(26-2)30-24/h4-8,11-13,18H,9-10H2,1-3H3,(H2,26,28,29,30)/t18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 66n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of OATP1B1 (unknown origin)

Citation and Details

Article DOI: 10.1021/acsmedchemlett.8b00541
BindingDB Entry DOI: 10.7270/Q24171P7
More data for this
Ligand-Target Pair
Chitinase B


(Serratia marcescens)		BDBM50331851
PNG
(Allosamidin | CHEMBL1230997)
Show SMILES CN(C)C1=N[C@@H]2[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H]3NC(C)=O)[C@@H](CO)[C@@H]2O1 |r,t:3|
Show InChI InChI=1S/C25H42N4O14/c1-8(33)26-14-17(36)16(35)11(6-31)39-23(14)42-22-12(7-32)40-24(15(19(22)38)27-9(2)34)41-21-10(5-30)20-13(18(21)37)28-25(43-20)29(3)4/h10-24,30-32,35-38H,5-7H2,1-4H3,(H,26,33)(H,27,34)/t10-,11+,12+,13+,14+,15+,16+,17-,18+,19-,20-,21+,22+,23-,24-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase ChiB assessed as reduction in chitinolytic activity using 4MU-(GlcNAc)2 substrate by fluorescence based a...

J Med Chem 58: 4984-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00175
BindingDB Entry DOI: 10.7270/Q2VT1TV5
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50458163
PNG
(CHEMBL4209316)
Show SMILES CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(C)n2)nc2[C@@H](CCc12)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H24FN7O/c1-14-27-13-32(31-14)20-11-8-17(12-21(20)33-3)28-24-29-22-18(15-4-6-16(25)7-5-15)9-10-19(22)23(26-2)30-24/h4-8,11-13,18H,9-10H2,1-3H3,(H2,26,28,29,30)/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP3A4 in human liver microsomes measured after 30 mins

Citation and Details

Article DOI: 10.1021/acsmedchemlett.8b00541
BindingDB Entry DOI: 10.7270/Q24171P7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50553286
PNG
(CHEMBL4794465)
Show SMILES CNc1nc(Nc2ccc(c(OC)c2)-n2cnc(Cl)c2)nc2[C@@H](CCc12)c1ccccc1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by patch clamp method

Citation and Details

Article DOI: 10.1021/acsmedchemlett.8b00541
BindingDB Entry DOI: 10.7270/Q24171P7
More data for this
Ligand-Target Pair
Chitinase B


(Serratia marcescens)		BDBM50089854
PNG
(CHEMBL3577613)
Show SMILES [H][C@@]12OC(C)(C)O[C@]([H])([C@H]1C)C(C)(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](OC(=O)NCCCCNC(=N)NC(=O)NC)[C@H](C)[C@@H](OCC#C)[C@](C)(O)C[C@H]2C |r,@@:11|
Show InChI InChI=1S/C36H63N5O9/c1-13-19-46-29-23(5)27(48-33(44)40-18-16-15-17-39-31(37)41-32(43)38-12)24(6)30(42)47-25(14-2)34(7,8)28-22(4)26(49-35(9,10)50-28)21(3)20-36(29,11)45/h1,21-29,45H,14-20H2,2-12H3,(H,40,44)(H4,37,38,39,41,43)/t21-,22+,23+,24-,25-,26+,27+,28-,29-,36-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 217n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of Serratia marcescens chitinase ChiB assessed as reduction in chitinolytic activity using 4MU-(GlcNAc)2 substrate by fluorescence based a...

J Med Chem 58: 4984-97 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00175
BindingDB Entry DOI: 10.7270/Q2VT1TV5
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 100 total )  |  Next  |  Last  >>
Jump to: