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Compile Data Set for Download or QSAR

Found 81 hits of ic50 data for polymerid = 49000307   
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)
BDBM50336640
PNG
((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)
Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3
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n/an/a 1.40n/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Inhibition of rat Cav1.2 channel in rat mesenteric artery assessed as relaxation of 70 mM K+ induced contraction


J Med Chem 57: 4313-23 (2014)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50052311
PNG
(Acetic acid (4R,5R)-7-chloro-1-dimethylaminomethyl...)
Show SMILES CN(C)Cc1ccc2[C@@H](OC(C)=O)[C@H](Sc3c(Cl)cccc3-n12)c1ccccc1
Show InChI InChI=1S/C23H23ClN2O2S/c1-15(27)28-21-19-13-12-17(14-25(2)3)26(19)20-11-7-10-18(24)23(20)29-22(21)16-8-5-4-6-9-16/h4-13,21-22H,14H2,1-3H3/t21-,22-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate.


J Med Chem 39: 2922-38 (1996)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50029417
PNG
(CHEMBL277363 | [4-(4-Methoxy-phenyl)-4H-benzo[b]py...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)C)ccc12
Show InChI InChI=1S/C21H22N2OS/c1-22(2)14-16-10-13-19-21(15-8-11-17(24-3)12-9-15)25-20-7-5-4-6-18(20)23(16)19/h4-13,21H,14H2,1-3H3
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n/an/a 17n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate


J Med Chem 39: 2922-38 (1996)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50101905
PNG
(FANTOFARONE | Fantofarone | SR-33557)
Show SMILES COc1ccc(CCN(C)CCCOc2ccc(cc2)S(=O)(=O)c2c(cn3ccccc23)C(C)C)cc1OC
Show InChI InChI=1S/C31H38N2O5S/c1-23(2)27-22-33-18-7-6-9-28(33)31(27)39(34,35)26-13-11-25(12-14-26)38-20-8-17-32(3)19-16-24-10-15-29(36-4)30(21-24)37-5/h6-7,9-15,18,21-23H,8,16-17,19-20H2,1-5H3
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n/an/a 22n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes


J Appl Toxicol 32: 858-66 (2012)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM81939
PNG
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
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n/an/a 39n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate.


J Med Chem 39: 2922-38 (1996)

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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n/an/a 54n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate.


J Med Chem 39: 2922-38 (1996)

More data for this
Ligand-Target Pair
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)

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)

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)

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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n/an/a 120n/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)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50017376
PNG
((+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylm...)
Show SMILES CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3
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n/an/a 142n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes


J Appl Toxicol 32: 858-66 (2012)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50041496
PNG
(Butyric acid 5-(4-methoxy-phenyl)-6-thia-10b-aza-b...)
Show SMILES CCCC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccc(OC)cc1
Show InChI InChI=1S/C23H21NO3S/c1-3-7-21(25)27-22-19-9-6-15-24(19)18-8-4-5-10-20(18)28-23(22)16-11-13-17(26-2)14-12-16/h4-6,8-15H,3,7H2,1-2H3
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Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate.


J Med Chem 39: 2922-38 (1996)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50101964
PNG
(CHEMBL3436047)
Show SMILES [I-].CCCC[N+]1(CCCC(=O)c2ccc(F)cc2)CCC(O)(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H32ClFNO2.HI/c1-2-3-16-28(17-4-5-24(29)20-6-12-23(27)13-7-20)18-14-25(30,15-19-28)21-8-10-22(26)11-9-21;/h6-13,30H,2-5,14-19H2,1H3;1H/q+1;/p-1
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n/an/a 170n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes


J Appl Toxicol 32: 858-66 (2012)

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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n/an/a 180n/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)

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)

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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n/an/a 210n/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)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50041493
PNG
(Acetic acid 5-phenyl-6-thia-10b-aza-benzo[e]azulen...)
Show SMILES CC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccccc1
Show InChI InChI=1S/C20H15NO2S/c1-14(22)23-19-17-11-7-13-21(17)16-10-5-6-12-18(16)24-20(19)15-8-3-2-4-9-15/h2-13H,1H3
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Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate.


J Med Chem 39: 2922-38 (1996)

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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n/an/a 230n/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)

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)

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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n/an/a 250n/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)

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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n/an/a 300n/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)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50041502
PNG
(Acetic acid 5-(4-methoxy-phenyl)-6-thia-10b-aza-be...)
Show SMILES COc1ccc(cc1)C1=C(OC(C)=O)c2cccn2-c2ccccc2S1
Show InChI InChI=1S/C21H17NO3S/c1-14(23)25-20-18-7-5-13-22(18)17-6-3-4-8-19(17)26-21(20)15-9-11-16(24-2)12-10-15/h3-13H,1-2H3
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n/an/a 340n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate.


J Med Chem 39: 2922-38 (1996)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50014335
PNG
(CHEMBL1164066)
Show SMILES CC1(C)CC(=O)C2=C(C1)NC(=CC2c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H23NO/c1-23(2)14-20-22(21(25)15-23)18(16-9-5-3-6-10-16)13-19(24-20)17-11-7-4-8-12-17/h3-13,18,24H,14-15H2,1-2H3
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n/an/a 340n/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Inhibition of rat Cav1.2 channel in rat mesenteric artery assessed as relaxation of 70 mM K+ induced contraction


J Med Chem 57: 4313-23 (2014)

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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n/an/a 420n/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)

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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n/an/a 430n/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)

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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n/an/a 600n/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)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50041508
PNG
(CHEMBL416040 | Pentanoic acid 5-phenyl-6-thia-10b-...)
Show SMILES CCCCC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccccc1
Show InChI InChI=1S/C23H21NO2S/c1-2-3-15-21(25)26-22-19-13-9-16-24(19)18-12-7-8-14-20(18)27-23(22)17-10-5-4-6-11-17/h4-14,16H,2-3,15H2,1H3
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n/an/a 610n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate.


J Med Chem 39: 2922-38 (1996)

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)

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)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50283417
PNG
((3,3-Diphenyl-propyl)-(1-methyl-1,4,5,6-tetrahydro...)
Show SMILES CN1CCCN=C1NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H25N3/c1-23-16-8-14-21-20(23)22-15-13-19(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,19H,8,13-16H2,1H3,(H,21,22)
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-nitrendipine to calcium channel in rat heart membranes was determined


Bioorg Med Chem Lett 4: 351-354 (1994)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50283418
PNG
((3,3-Diphenyl-propyl)-((E)-1,4,5,6,7,8-hexahydro-[...)
Show SMILES C(CC(c1ccccc1)c1ccccc1)NC1=NCCCCCN1
Show InChI InChI=1S/C21H27N3/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-24-21-22-15-8-3-9-16-23-21/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H2,22,23,24)
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TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-nitrendipine to calcium channel in rat heart membranes was determined


Bioorg Med Chem Lett 4: 351-354 (1994)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50283419
PNG
((2,5-Dihydro-1H-benzo[e][1,3]diazepin-3-yl)-(2,2-d...)
Show SMILES C(NC1=NCc2ccccc2CN1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H23N3/c1-3-9-18(10-4-1)22(19-11-5-2-6-12-19)17-26-23-24-15-20-13-7-8-14-21(20)16-25-23/h1-14,22H,15-17H2,(H2,24,25,26)
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TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-nitrendipine to calcium channel in rat heart membranes was determined


Bioorg Med Chem Lett 4: 351-354 (1994)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50283422
PNG
((3,3-Diphenyl-propyl)-(1,4,5,6-tetrahydro-pyrimidi...)
Show SMILES C(CC(c1ccccc1)c1ccccc1)NC1=NCCCN1
Show InChI InChI=1S/C19H23N3/c1-3-8-16(9-4-1)18(17-10-5-2-6-11-17)12-15-22-19-20-13-7-14-21-19/h1-6,8-11,18H,7,12-15H2,(H2,20,21,22)
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TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-nitrendipine to calcium channel in rat heart membranes was determined


Bioorg Med Chem Lett 4: 351-354 (1994)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50283423
PNG
((2,2-Diphenyl-ethyl)-(1-methyl-1,4,5,6-tetrahydro-...)
Show SMILES CN1CCCN=C1NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H23N3/c1-22-14-8-13-20-19(22)21-15-18(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18H,8,13-15H2,1H3,(H,20,21)
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TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-nitrendipine to calcium channel in rat heart membranes was determined


Bioorg Med Chem Lett 4: 351-354 (1994)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50283424
PNG
((2,2-Diphenyl-ethyl)-(4,5,6,7-tetrahydro-1H-[1,3]d...)
Show SMILES C(NC1=NCCCCN1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H23N3/c1-3-9-16(10-4-1)18(17-11-5-2-6-12-17)15-22-19-20-13-7-8-14-21-19/h1-6,9-12,18H,7-8,13-15H2,(H2,20,21,22)
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TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-nitrendipine to calcium channel in rat heart membranes was determined


Bioorg Med Chem Lett 4: 351-354 (1994)

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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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-nitrendipine to calcium channel in rat heart membranes was determined


Bioorg Med Chem Lett 4: 351-354 (1994)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50283425
PNG
((2,2-Diphenyl-ethyl)-((E)-1,4,5,6,7,8-hexahydro-[1...)
Show SMILES C(NC1=NCCCCCN1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H25N3/c1-4-10-17(11-5-1)19(18-12-6-2-7-13-18)16-23-20-21-14-8-3-9-15-22-20/h1-2,4-7,10-13,19H,3,8-9,14-16H2,(H2,21,22,23)
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TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-nitrendipine to calcium channel in rat heart membranes was determined


Bioorg Med Chem Lett 4: 351-354 (1994)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50283426
PNG
((4,4-Diphenyl-butyl)-(1-methyl-4,5-dihydro-1H-imid...)
Show SMILES CN1CCN=C1NCCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H25N3/c1-23-16-15-22-20(23)21-14-8-13-19(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,19H,8,13-16H2,1H3,(H,21,22)
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TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-nitrendipine to calcium channel in rat heart membranes was determined


Bioorg Med Chem Lett 4: 351-354 (1994)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50283427
PNG
((2,2-Diphenyl-ethyl)-(1,4,5,6-tetrahydro-pyrimidin...)
Show SMILES C(NC1=NCCCN1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H21N3/c1-3-8-15(9-4-1)17(16-10-5-2-6-11-16)14-21-18-19-12-7-13-20-18/h1-6,8-11,17H,7,12-14H2,(H2,19,20,21)
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TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-nitrendipine to calcium channel in rat heart membranes was determined


Bioorg Med Chem Lett 4: 351-354 (1994)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50283428
PNG
((3,3-Diphenyl-propyl)-(4,5,6,7-tetrahydro-1H-[1,3]...)
Show SMILES C(CC(c1ccccc1)c1ccccc1)NC1=NCCCCN1
Show InChI InChI=1S/C20H25N3/c1-3-9-17(10-4-1)19(18-11-5-2-6-12-18)13-16-23-20-21-14-7-8-15-22-20/h1-6,9-12,19H,7-8,13-16H2,(H2,21,22,23)
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TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-nitrendipine to calcium channel in rat heart membranes was determined


Bioorg Med Chem Lett 4: 351-354 (1994)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50283429
PNG
((3,3-Diphenyl-propyl)-(1-methyl-4,5-dihydro-1H-imi...)
Show SMILES CN1CCN=C1NCCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H23N3/c1-22-15-14-21-19(22)20-13-12-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3,(H,20,21)
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TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-nitrendipine to calcium channel in rat heart membranes was determined


Bioorg Med Chem Lett 4: 351-354 (1994)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50283430
PNG
((3,3-Diphenyl-propyl)-(3aS,7aS)-3a,4,5,6,7,7a-hexa...)
Show SMILES C(CC(c1ccccc1)c1ccccc1)NC1=N[C@H]2CCCC[C@@H]2N1
Show InChI InChI=1S/C22H27N3/c1-3-9-17(10-4-1)19(18-11-5-2-6-12-18)15-16-23-22-24-20-13-7-8-14-21(20)25-22/h1-6,9-12,19-21H,7-8,13-16H2,(H2,23,24,25)/t20-,21-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-nitrendipine to calcium channel in rat heart membranes was determined


Bioorg Med Chem Lett 4: 351-354 (1994)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50283431
PNG
((2,2-Diphenyl-ethyl)-(3aS,7aS)-3a,4,5,6,7,7a-hexah...)
Show SMILES C(NC1=N[C@H]2CCCC[C@@H]2N1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H25N3/c1-3-9-16(10-4-1)18(17-11-5-2-6-12-17)15-22-21-23-19-13-7-8-14-20(19)24-21/h1-6,9-12,18-20H,7-8,13-15H2,(H2,22,23,24)/t19-,20-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-nitrendipine to calcium channel in rat heart membranes was determined


Bioorg Med Chem Lett 4: 351-354 (1994)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50283432
PNG
(Benzhydryl-(4,5-dihydro-1H-imidazol-2-yl)-amine | ...)
Show SMILES C1CNC(N1)=NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H17N3/c1-3-7-13(8-4-1)15(14-9-5-2-6-10-14)19-16-17-11-12-18-16/h1-10,15H,11-12H2,(H2,17,18,19)
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TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-nitrendipine to calcium channel in rat heart membranes was determined


Bioorg Med Chem Lett 4: 351-354 (1994)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50283433
PNG
((2,2-Diphenyl-ethyl)-(1-methyl-4,5-dihydro-1H-imid...)
Show SMILES CN1CCN=C1NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H21N3/c1-21-13-12-19-18(21)20-14-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,19,20)
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TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-nitrendipine to calcium channel in rat heart membranes was determined


Bioorg Med Chem Lett 4: 351-354 (1994)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50283434
PNG
((2,5-Dihydro-1H-benzo[e][1,3]diazepin-3-yl)-(3,3-d...)
Show SMILES C(CC(c1ccccc1)c1ccccc1)NC1=NCc2ccccc2CN1
Show InChI InChI=1S/C24H25N3/c1-3-9-19(10-4-1)23(20-11-5-2-6-12-20)15-16-25-24-26-17-21-13-7-8-14-22(21)18-27-24/h1-14,23H,15-18H2,(H2,25,26,27)
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TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-nitrendipine to calcium channel in rat heart membranes was determined


Bioorg Med Chem Lett 4: 351-354 (1994)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50283435
PNG
((4,5-Dihydro-1H-imidazol-2-yl)-(3,3-diphenyl-propy...)
Show SMILES C(CC(c1ccccc1)c1ccccc1)NC1=NCCN1
Show InChI InChI=1S/C18H21N3/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)11-12-19-18-20-13-14-21-18/h1-10,17H,11-14H2,(H2,19,20,21)
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-nitrendipine to calcium channel in rat heart membranes was determined


Bioorg Med Chem Lett 4: 351-354 (1994)

More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50283436
PNG
((4,5-Dihydro-1H-imidazol-2-yl)-(2,2-diphenyl-ethyl...)
Show SMILES C(NC1=NCCN1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H19N3/c1-3-7-14(8-4-1)16(15-9-5-2-6-10-15)13-20-17-18-11-12-19-17/h1-10,16H,11-13H2,(H2,18,19,20)
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding of [3H]-nitrendipine to calcium channel in rat heart membranes was determined


Bioorg Med Chem Lett 4: 351-354 (1994)

More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(RAT)
BDBM50283421
PNG
(((E)-Azacyclotridec-1-en-2-yl)-(2,2-diphenyl-penty...)
Show SMILES CCCC(CNC1=NCCCCCCCCCCC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H42N2/c1-2-23-29(26-18-12-10-13-19-26,27-20-14-11-15-21-27)25-31-28-22-16-8-6-4-3-5-7-9-17-24-30-28/h10-15,18-21H,2-9,16-17,22-25H2,1H3,(H,30,31)
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 4: 351-354 (1994)

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)

More data for this
Ligand-Target Pair
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