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Compile Data Set for Download or QSAR

Found 37 hits from Chugai Pharmaceutical Company, Ltd.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calcium channel


(RAT)
BDBM50067631
PNG
(3-(3-{[2-(Benzo[1,3]dioxol-5-yloxy)-ethyl]-methyl-...)
Show SMILES CN(CCCN1C(SCC1=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)CCOc1ccc2OCOc2c1
Show InChI InChI=1S/C30H42N2O5S/c1-29(2,3)22-15-20(16-23(27(22)34)30(4,5)6)28-32(26(33)18-38-28)12-8-11-31(7)13-14-35-21-9-10-24-25(17-21)37-19-36-24/h9-10,15-17,28,34H,8,11-14,18-19H2,1-7H3
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n/an/a 62n/an/an/an/an/an/a



Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of K+ induced contractions of the isolated rat aorta.


J Med Chem 41: 4309-16 (1998)


Article DOI: 10.1021/jm980335f
BindingDB Entry DOI: 10.7270/Q23N22JV
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50067622
PNG
(2-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-3-(3-{[2-(3...)
Show SMILES COc1ccc(CCN(C)CCCN2C(SCC2=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc1OC
Show InChI InChI=1S/C31H46N2O4S/c1-30(2,3)23-18-22(19-24(28(23)35)31(4,5)6)29-33(27(34)20-38-29)15-10-14-32(7)16-13-21-11-12-25(36-8)26(17-21)37-9/h11-12,17-19,29,35H,10,13-16,20H2,1-9H3
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n/an/a 93n/an/an/an/an/an/a



Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of K+ induced contractions of the isolated rat aorta.


J Med Chem 41: 4309-16 (1998)


Article DOI: 10.1021/jm980335f
BindingDB Entry DOI: 10.7270/Q23N22JV
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50004704
PNG
((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)
Show SMILES COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1
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Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of K+ induced contractions of the isolated rat aorta.


J Med Chem 41: 4309-16 (1998)


Article DOI: 10.1021/jm980335f
BindingDB Entry DOI: 10.7270/Q23N22JV
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50067624
PNG
(2-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-3-{3-[(3,4-...)
Show SMILES COc1ccc(CN(C)CCCN2C(SCC2=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc1OC
Show InChI InChI=1S/C30H44N2O4S/c1-29(2,3)22-16-21(17-23(27(22)34)30(4,5)6)28-32(26(33)19-37-28)14-10-13-31(7)18-20-11-12-24(35-8)25(15-20)36-9/h11-12,15-17,28,34H,10,13-14,18-19H2,1-9H3
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Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of K+ induced contractions of the isolated rat aorta.


J Med Chem 41: 4309-16 (1998)


Article DOI: 10.1021/jm980335f
BindingDB Entry DOI: 10.7270/Q23N22JV
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50067630
PNG
(2-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-3-(3-{[2-(3...)
Show SMILES COc1ccc(OCCN(C)CCCN2C(SCC2=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc1OC
Show InChI InChI=1S/C31H46N2O5S/c1-30(2,3)23-17-21(18-24(28(23)35)31(4,5)6)29-33(27(34)20-39-29)14-10-13-32(7)15-16-38-22-11-12-25(36-8)26(19-22)37-9/h11-12,17-19,29,35H,10,13-16,20H2,1-9H3
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Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of K+ induced contractions of the isolated rat aorta.


J Med Chem 41: 4309-16 (1998)


Article DOI: 10.1021/jm980335f
BindingDB Entry DOI: 10.7270/Q23N22JV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50017896
PNG
((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...)
Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+
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Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro against TXA2 synthetase inhibitory activity in rat whole blood


J Med Chem 36: 4061-8 (1994)


Article DOI: 10.1021/jm00077a009
BindingDB Entry DOI: 10.7270/Q2QJ7GBK
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50017896
PNG
((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...)
Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+
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Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro against TXA2 synthetase inhibitory activity in rat platelet


J Med Chem 36: 4061-8 (1994)


Article DOI: 10.1021/jm00077a009
BindingDB Entry DOI: 10.7270/Q2QJ7GBK
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50067629
PNG
(2-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-3-[3-(6,7-d...)
Show SMILES COc1cc2CCN(CCCN3C(SCC3=O)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)Cc2cc1OC
Show InChI InChI=1S/C31H44N2O4S/c1-30(2,3)23-14-21(15-24(28(23)35)31(4,5)6)29-33(27(34)19-38-29)12-9-11-32-13-10-20-16-25(36-7)26(37-8)17-22(20)18-32/h14-17,29,35H,9-13,18-19H2,1-8H3
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Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of K+ induced contractions of the isolated rat aorta.


J Med Chem 41: 4309-16 (1998)


Article DOI: 10.1021/jm980335f
BindingDB Entry DOI: 10.7270/Q23N22JV
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50067638
PNG
(3-[3-(4-Benzyl-piperidin-1-yl)-propyl]-2-(3,5-di-t...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C1SCC(=O)N1CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C32H46N2O2S/c1-31(2,3)26-20-25(21-27(29(26)36)32(4,5)6)30-34(28(35)22-37-30)16-10-15-33-17-13-24(14-18-33)19-23-11-8-7-9-12-23/h7-9,11-12,20-21,24,30,36H,10,13-19,22H2,1-6H3
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Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of K+ induced contractions of the isolated rat aorta.


J Med Chem 41: 4309-16 (1998)


Article DOI: 10.1021/jm980335f
BindingDB Entry DOI: 10.7270/Q23N22JV
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50067637
PNG
(2-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-3-(3-{[2-(4...)
Show SMILES COc1ccc(OCCN(C)CCCN2C(SCC2=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc1
Show InChI InChI=1S/C30H44N2O4S/c1-29(2,3)24-18-21(19-25(27(24)34)30(4,5)6)28-32(26(33)20-37-28)15-9-14-31(7)16-17-36-23-12-10-22(35-8)11-13-23/h10-13,18-19,28,34H,9,14-17,20H2,1-8H3
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Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of K+ induced contractions of the isolated rat aorta.


J Med Chem 41: 4309-16 (1998)


Article DOI: 10.1021/jm980335f
BindingDB Entry DOI: 10.7270/Q23N22JV
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50067632
PNG
(3-{3-[4-(Benzothiazol-2-yl-methyl-amino)-piperidin...)
Show SMILES CN(C1CCN(CCCN2C(SCC2=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)CC1)c1nc2ccccc2s1
Show InChI InChI=1S/C33H46N4O2S2/c1-32(2,3)24-19-22(20-25(29(24)39)33(4,5)6)30-37(28(38)21-40-30)16-10-15-36-17-13-23(14-18-36)35(7)31-34-26-11-8-9-12-27(26)41-31/h8-9,11-12,19-20,23,30,39H,10,13-18,21H2,1-7H3
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Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of K+ induced contractions of the isolated rat aorta.


J Med Chem 41: 4309-16 (1998)


Article DOI: 10.1021/jm980335f
BindingDB Entry DOI: 10.7270/Q23N22JV
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50067626
PNG
(3-[3-(Benzo[1,3]dioxol-5-ylmethyl-methyl-amino)-pr...)
Show SMILES CN(CCCN1C(SCC1=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C29H40N2O4S/c1-28(2,3)21-14-20(15-22(26(21)33)29(4,5)6)27-31(25(32)17-36-27)12-8-11-30(7)16-19-9-10-23-24(13-19)35-18-34-23/h9-10,13-15,27,33H,8,11-12,16-18H2,1-7H3
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Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of K+ induced contractions of the isolated rat aorta.


J Med Chem 41: 4309-16 (1998)


Article DOI: 10.1021/jm980335f
BindingDB Entry DOI: 10.7270/Q23N22JV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50043282
PNG
(2-Methyl-4-thiazol-5-yl-2H-phthalazin-1-one | CHEM...)
Show SMILES Cn1nc(-c2cncs2)c2ccccc2c1=O
Show InChI InChI=1S/C12H9N3OS/c1-15-12(16)9-5-3-2-4-8(9)11(14-15)10-6-13-7-17-10/h2-7H,1H3
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Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro against TXA2 synthetase inhibitory activity in rat platelet


J Med Chem 36: 4061-8 (1994)


Article DOI: 10.1021/jm00077a009
BindingDB Entry DOI: 10.7270/Q2QJ7GBK
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50067620
PNG
(2-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-3-(3-{methy...)
Show SMILES COc1cc(OCCN(C)CCCN2C(SCC2=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(OC)c1OC
Show InChI InChI=1S/C32H48N2O6S/c1-31(2,3)23-16-21(17-24(28(23)36)32(4,5)6)30-34(27(35)20-41-30)13-11-12-33(7)14-15-40-22-18-25(37-8)29(39-10)26(19-22)38-9/h16-19,30,36H,11-15,20H2,1-10H3
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Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of K+ induced contractions of the isolated rat aorta.


J Med Chem 41: 4309-16 (1998)


Article DOI: 10.1021/jm980335f
BindingDB Entry DOI: 10.7270/Q23N22JV
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50017896
PNG
((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...)
Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+
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Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro against TXA2 synthetase inhibitory activity in human platelet


J Med Chem 36: 4061-8 (1994)


Article DOI: 10.1021/jm00077a009
BindingDB Entry DOI: 10.7270/Q2QJ7GBK
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50017896
PNG
((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...)
Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+
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Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro against TXA2 synthetase inhibitory activity in human platelet


J Med Chem 36: 4061-8 (1994)


Article DOI: 10.1021/jm00077a009
BindingDB Entry DOI: 10.7270/Q2QJ7GBK
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50067639
PNG
(2-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-3-{3-[(2-hy...)
Show SMILES CN(CCCN1C(SCC1=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)CC(O)COc1ccccc1
Show InChI InChI=1S/C30H44N2O4S/c1-29(2,3)24-16-21(17-25(27(24)35)30(4,5)6)28-32(26(34)20-37-28)15-11-14-31(7)18-22(33)19-36-23-12-9-8-10-13-23/h8-10,12-13,16-17,22,28,33,35H,11,14-15,18-20H2,1-7H3
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Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of K+ induced contractions of the isolated rat aorta.


J Med Chem 41: 4309-16 (1998)


Article DOI: 10.1021/jm980335f
BindingDB Entry DOI: 10.7270/Q23N22JV
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50067636
PNG
(3-(3-{[3-(Benzo[1,3]dioxol-5-yloxy)-2-hydroxy-prop...)
Show SMILES CN(CCCN1C(SCC1=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)CC(O)COc1ccc2OCOc2c1
Show InChI InChI=1S/C31H44N2O6S/c1-30(2,3)23-13-20(14-24(28(23)36)31(4,5)6)29-33(27(35)18-40-29)12-8-11-32(7)16-21(34)17-37-22-9-10-25-26(15-22)39-19-38-25/h9-10,13-15,21,29,34,36H,8,11-12,16-19H2,1-7H3
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Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of K+ induced contractions of the isolated rat aorta.


J Med Chem 41: 4309-16 (1998)


Article DOI: 10.1021/jm980335f
BindingDB Entry DOI: 10.7270/Q23N22JV
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50043282
PNG
(2-Methyl-4-thiazol-5-yl-2H-phthalazin-1-one | CHEM...)
Show SMILES Cn1nc(-c2cncs2)c2ccccc2c1=O
Show InChI InChI=1S/C12H9N3OS/c1-15-12(16)9-5-3-2-4-8(9)11(14-15)10-6-13-7-17-10/h2-7H,1H3
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Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro against TXA2 synthetase inhibitory activity in human platelet


J Med Chem 36: 4061-8 (1994)


Article DOI: 10.1021/jm00077a009
BindingDB Entry DOI: 10.7270/Q2QJ7GBK
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50067621
PNG
(3-[3-(Benzyl-methyl-amino)-propyl]-2-(3,5-di-tert-...)
Show SMILES CN(CCCN1C(SCC1=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)Cc1ccccc1
Show InChI InChI=1S/C28H40N2O2S/c1-27(2,3)22-16-21(17-23(25(22)32)28(4,5)6)26-30(24(31)19-33-26)15-11-14-29(7)18-20-12-9-8-10-13-20/h8-10,12-13,16-17,26,32H,11,14-15,18-19H2,1-7H3
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Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of K+ induced contractions of the isolated rat aorta.


J Med Chem 41: 4309-16 (1998)


Article DOI: 10.1021/jm980335f
BindingDB Entry DOI: 10.7270/Q23N22JV
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50067625
PNG
(Benzothiazol-2-yl-{1-[4-(4-fluoro-phenoxy)-butyl]-...)
Show SMILES CN(C1CCN(CCCCOc2ccc(F)cc2)CC1)c1nc2ccccc2s1
Show InChI InChI=1S/C23H28FN3OS/c1-26(23-25-21-6-2-3-7-22(21)29-23)19-12-15-27(16-13-19)14-4-5-17-28-20-10-8-18(24)9-11-20/h2-3,6-11,19H,4-5,12-17H2,1H3
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n/an/a 760n/an/an/an/an/an/a



Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of K+ induced contractions of the isolated rat aorta.


J Med Chem 41: 4309-16 (1998)


Article DOI: 10.1021/jm980335f
BindingDB Entry DOI: 10.7270/Q23N22JV
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50067635
PNG
(2-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-3-{3-[(2-et...)
Show SMILES CCOCCN(C)CCCN1C(SCC1=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C25H42N2O3S/c1-9-30-14-13-26(8)11-10-12-27-21(28)17-31-23(27)18-15-19(24(2,3)4)22(29)20(16-18)25(5,6)7/h15-16,23,29H,9-14,17H2,1-8H3
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n/an/a 840n/an/an/an/an/an/a



Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of K+ induced contractions of the isolated rat aorta.


J Med Chem 41: 4309-16 (1998)


Article DOI: 10.1021/jm980335f
BindingDB Entry DOI: 10.7270/Q23N22JV
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50017896
PNG
((E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid ...)
Show SMILES OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+
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n/an/a 900n/an/an/an/an/an/a



Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro against TXA2 synthetase inhibitory activity in human whole blood


J Med Chem 36: 4061-8 (1994)


Article DOI: 10.1021/jm00077a009
BindingDB Entry DOI: 10.7270/Q2QJ7GBK
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50067623
PNG
(3-[3-(Cyclopropylmethyl-methyl-amino)-propyl]-2-(3...)
Show SMILES CN(CCCN1C(SCC1=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)CC1CC1
Show InChI InChI=1S/C25H40N2O2S/c1-24(2,3)19-13-18(14-20(22(19)29)25(4,5)6)23-27(21(28)16-30-23)12-8-11-26(7)15-17-9-10-17/h13-14,17,23,29H,8-12,15-16H2,1-7H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of K+ induced contractions of the isolated rat aorta.


J Med Chem 41: 4309-16 (1998)


Article DOI: 10.1021/jm980335f
BindingDB Entry DOI: 10.7270/Q23N22JV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50043283
PNG
(2-Ethyl-4-pyridin-3-yl-2H-phthalazin-1-one | CHEMB...)
Show SMILES CCn1nc(-c2cccnc2)c2ccccc2c1=O
Show InChI InChI=1S/C15H13N3O/c1-2-18-15(19)13-8-4-3-7-12(13)14(17-18)11-6-5-9-16-10-11/h3-10H,2H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro against TXA2 synthetase inhibitory activity in rat platelet


J Med Chem 36: 4061-8 (1994)


Article DOI: 10.1021/jm00077a009
BindingDB Entry DOI: 10.7270/Q2QJ7GBK
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50067633
PNG
(2-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-3-(3-dimeth...)
Show SMILES CN(C)CCCN1C(SCC1=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C22H36N2O2S/c1-21(2,3)16-12-15(13-17(19(16)26)22(4,5)6)20-24(18(25)14-27-20)11-9-10-23(7)8/h12-13,20,26H,9-11,14H2,1-8H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of K+ induced contractions of the isolated rat aorta.


J Med Chem 41: 4309-16 (1998)


Article DOI: 10.1021/jm980335f
BindingDB Entry DOI: 10.7270/Q23N22JV
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50043283
PNG
(2-Ethyl-4-pyridin-3-yl-2H-phthalazin-1-one | CHEMB...)
Show SMILES CCn1nc(-c2cccnc2)c2ccccc2c1=O
Show InChI InChI=1S/C15H13N3O/c1-2-18-15(19)13-8-4-3-7-12(13)14(17-18)11-6-5-9-16-10-11/h3-10H,2H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro against TXA2 synthetase inhibitory activity in human microsome


J Med Chem 36: 4061-8 (1994)


Article DOI: 10.1021/jm00077a009
BindingDB Entry DOI: 10.7270/Q2QJ7GBK
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50043283
PNG
(2-Ethyl-4-pyridin-3-yl-2H-phthalazin-1-one | CHEMB...)
Show SMILES CCn1nc(-c2cccnc2)c2ccccc2c1=O
Show InChI InChI=1S/C15H13N3O/c1-2-18-15(19)13-8-4-3-7-12(13)14(17-18)11-6-5-9-16-10-11/h3-10H,2H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro against TXA2 synthetase inhibitory activity in human microsome


J Med Chem 36: 4061-8 (1994)


Article DOI: 10.1021/jm00077a009
BindingDB Entry DOI: 10.7270/Q2QJ7GBK
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50043283
PNG
(2-Ethyl-4-pyridin-3-yl-2H-phthalazin-1-one | CHEMB...)
Show SMILES CCn1nc(-c2cccnc2)c2ccccc2c1=O
Show InChI InChI=1S/C15H13N3O/c1-2-18-15(19)13-8-4-3-7-12(13)14(17-18)11-6-5-9-16-10-11/h3-10H,2H2,1H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro against TXA2 synthetase inhibitory activity in rat whole blood


J Med Chem 36: 4061-8 (1994)


Article DOI: 10.1021/jm00077a009
BindingDB Entry DOI: 10.7270/Q2QJ7GBK
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50067640
PNG
(2-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-3-{3-[(2-di...)
Show SMILES CN(C)CCN(C)CCCN1C(SCC1=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C25H43N3O2S/c1-24(2,3)19-15-18(16-20(22(19)30)25(4,5)6)23-28(21(29)17-31-23)12-10-11-27(9)14-13-26(7)8/h15-16,23,30H,10-14,17H2,1-9H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of K+ induced contractions of the isolated rat aorta.


J Med Chem 41: 4309-16 (1998)


Article DOI: 10.1021/jm980335f
BindingDB Entry DOI: 10.7270/Q23N22JV
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50043283
PNG
(2-Ethyl-4-pyridin-3-yl-2H-phthalazin-1-one | CHEMB...)
Show SMILES CCn1nc(-c2cccnc2)c2ccccc2c1=O
Show InChI InChI=1S/C15H13N3O/c1-2-18-15(19)13-8-4-3-7-12(13)14(17-18)11-6-5-9-16-10-11/h3-10H,2H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro against TXA2 synthetase inhibitory activity in human whole blood


J Med Chem 36: 4061-8 (1994)


Article DOI: 10.1021/jm00077a009
BindingDB Entry DOI: 10.7270/Q2QJ7GBK
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50067634
PNG
(2-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-3-(3-methyl...)
Show SMILES CNCCCN1C(SCC1=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C21H34N2O2S/c1-20(2,3)15-11-14(12-16(18(15)25)21(4,5)6)19-23(10-8-9-22-7)17(24)13-26-19/h11-12,19,22,25H,8-10,13H2,1-7H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of K+ induced contractions of the isolated rat aorta.


J Med Chem 41: 4309-16 (1998)


Article DOI: 10.1021/jm980335f
BindingDB Entry DOI: 10.7270/Q23N22JV
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50067628
PNG
(2-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-3-{3-[(2-hy...)
Show SMILES CN(CCO)CCCN1C(SCC1=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C23H38N2O3S/c1-22(2,3)17-13-16(14-18(20(17)28)23(4,5)6)21-25(19(27)15-29-21)10-8-9-24(7)11-12-26/h13-14,21,26,28H,8-12,15H2,1-7H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of K+ induced contractions of the isolated rat aorta.


J Med Chem 41: 4309-16 (1998)


Article DOI: 10.1021/jm980335f
BindingDB Entry DOI: 10.7270/Q23N22JV
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50043282
PNG
(2-Methyl-4-thiazol-5-yl-2H-phthalazin-1-one | CHEM...)
Show SMILES Cn1nc(-c2cncs2)c2ccccc2c1=O
Show InChI InChI=1S/C12H9N3OS/c1-15-12(16)9-5-3-2-4-8(9)11(14-15)10-6-13-7-17-10/h2-7H,1H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro against TXA2 synthetase inhibitory activity in rat whole blood


J Med Chem 36: 4061-8 (1994)


Article DOI: 10.1021/jm00077a009
BindingDB Entry DOI: 10.7270/Q2QJ7GBK
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50043282
PNG
(2-Methyl-4-thiazol-5-yl-2H-phthalazin-1-one | CHEM...)
Show SMILES Cn1nc(-c2cncs2)c2ccccc2c1=O
Show InChI InChI=1S/C12H9N3OS/c1-15-12(16)9-5-3-2-4-8(9)11(14-15)10-6-13-7-17-10/h2-7H,1H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro against TXA2 synthetase inhibitory activity in human microsome


J Med Chem 36: 4061-8 (1994)


Article DOI: 10.1021/jm00077a009
BindingDB Entry DOI: 10.7270/Q2QJ7GBK
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50067627
PNG
(3-(3-Amino-propyl)-2-(3,5-di-tert-butyl-4-hydroxy-...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C1SCC(=O)N1CCCN
Show InChI InChI=1S/C20H32N2O2S/c1-19(2,3)14-10-13(11-15(17(14)24)20(4,5)6)18-22(9-7-8-21)16(23)12-25-18/h10-11,18,24H,7-9,12,21H2,1-6H3
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n/an/a 4.40E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of K+ induced contractions of the isolated rat aorta.


J Med Chem 41: 4309-16 (1998)


Article DOI: 10.1021/jm980335f
BindingDB Entry DOI: 10.7270/Q23N22JV
More data for this
Ligand-Target Pair
Thromboxane A2 Synthase (P450 TxA2)


(Homo sapiens (human))
BDBM50043282
PNG
(2-Methyl-4-thiazol-5-yl-2H-phthalazin-1-one | CHEM...)
Show SMILES Cn1nc(-c2cncs2)c2ccccc2c1=O
Show InChI InChI=1S/C12H9N3OS/c1-15-12(16)9-5-3-2-4-8(9)11(14-15)10-6-13-7-17-10/h2-7H,1H3
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n/an/a 8.70E+3n/an/an/an/an/an/a



Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro against TXA2 synthetase inhibitory activity in human whole blood


J Med Chem 36: 4061-8 (1994)


Article DOI: 10.1021/jm00077a009
BindingDB Entry DOI: 10.7270/Q2QJ7GBK
More data for this
Ligand-Target Pair