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Compile Data Set for Download or QSAR

Found 98 hits with Last Name = 'murai' and Initial = 'm'   
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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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 0.210n/an/an/an/an/an/an/an/a



National Children's Medical Research Center, Tokyo

Curated by PDSP Ki Database




Biochem Biophys Res Commun 195: 902-9 (1993)


Article DOI: 10.1006/bbrc.1993.2130
BindingDB Entry DOI: 10.7270/Q2FQ9V30
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM81444
PNG
(CAS_185453 | NSC_185453 | WB 4101 | WB-4101)
Show SMILES COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccccc1
Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3
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 0.230n/an/an/an/an/an/an/an/a



National Children's Medical Research Center, Tokyo

Curated by PDSP Ki Database




Biochem Biophys Res Commun 195: 902-9 (1993)


Article DOI: 10.1006/bbrc.1993.2130
BindingDB Entry DOI: 10.7270/Q2FQ9V30
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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 1.40n/an/an/an/an/an/an/an/a



National Children's Medical Research Center, Tokyo

Curated by PDSP Ki Database




Biochem Biophys Res Commun 195: 902-9 (1993)


Article DOI: 10.1006/bbrc.1993.2130
BindingDB Entry DOI: 10.7270/Q2FQ9V30
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50033112
PNG
(6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyla...)
Show SMILES COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1
Show InChI InChI=1S/C21H31N5O3/c1-16-19(23(2)21(28)24(3)20(16)27)22-10-7-11-25-12-14-26(15-13-25)17-8-5-6-9-18(17)29-4/h5-6,8-9,22H,7,10-15H2,1-4H3
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 4.20n/an/an/an/an/an/an/an/a



National Children's Medical Research Center, Tokyo

Curated by PDSP Ki Database




Biochem Biophys Res Commun 195: 902-9 (1993)


Article DOI: 10.1006/bbrc.1993.2130
BindingDB Entry DOI: 10.7270/Q2FQ9V30
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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 28n/an/an/an/an/an/an/an/a



National Children's Medical Research Center, Tokyo

Curated by PDSP Ki Database




Biochem Biophys Res Commun 195: 902-9 (1993)


Article DOI: 10.1006/bbrc.1993.2130
BindingDB Entry DOI: 10.7270/Q2FQ9V30
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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 770n/an/an/an/an/an/an/an/a



National Children's Medical Research Center, Tokyo

Curated by PDSP Ki Database




Biochem Biophys Res Commun 195: 902-9 (1993)


Article DOI: 10.1006/bbrc.1993.2130
BindingDB Entry DOI: 10.7270/Q2FQ9V30
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM84342
PNG
(4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3
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 2.50E+3n/an/an/an/an/an/an/an/a



National Children's Medical Research Center, Tokyo

Curated by PDSP Ki Database




Biochem Biophys Res Commun 195: 902-9 (1993)


Article DOI: 10.1006/bbrc.1993.2130
BindingDB Entry DOI: 10.7270/Q2FQ9V30
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM84342
PNG
(4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol...)
Show SMILES CNCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3
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 4.80E+3n/an/an/an/an/an/an/an/a



National Children's Medical Research Center, Tokyo

Curated by PDSP Ki Database




Biochem Biophys Res Commun 195: 902-9 (1993)


Article DOI: 10.1006/bbrc.1993.2130
BindingDB Entry DOI: 10.7270/Q2FQ9V30
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM35234
PNG
(DL-[7-3H]norepinephrine | NOREPINEPHRINE | Noradre...)
Show SMILES NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2
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 7.50E+3n/an/an/an/an/an/an/an/a



National Children's Medical Research Center, Tokyo

Curated by PDSP Ki Database




Biochem Biophys Res Commun 195: 902-9 (1993)


Article DOI: 10.1006/bbrc.1993.2130
BindingDB Entry DOI: 10.7270/Q2FQ9V30
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Children's Medical Research Center, Tokyo

Curated by PDSP Ki Database




Biochem Biophys Res Commun 195: 902-9 (1993)


Article DOI: 10.1006/bbrc.1993.2130
BindingDB Entry DOI: 10.7270/Q2FQ9V30
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50026777
PNG
(2-Amino-1-(2,5-dimethoxy-phenyl)-propan-1-ol | 2-A...)
Show SMILES COc1ccc(OC)c(c1)C(O)C(C)N
Show InChI InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Children's Medical Research Center, Tokyo

Curated by PDSP Ki Database




Biochem Biophys Res Commun 195: 902-9 (1993)


Article DOI: 10.1006/bbrc.1993.2130
BindingDB Entry DOI: 10.7270/Q2FQ9V30
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))		BDBM92960
PNG
(Piperazine derivative, 24)
Show SMILES O[C@H](CCCCCOCc1c(F)c(F)c(N[N+]#N)c(F)c1F)CN1CCN(C[C@H](O)CCCCCOc2ccc(I)cc2)CC1 |r|
Show InChI InChI=1S/C31H43F4IN5O4/c32-27-26(28(33)30(35)31(29(27)34)38-39-37)21-44-17-5-1-3-7-23(42)19-40-13-15-41(16-14-40)20-24(43)8-4-2-6-18-45-25-11-9-22(36)10-12-25/h9-12,23-24,38,42-43H,1-8,13-21H2/q+1/t23-,24-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).

Biochemistry 47: 10816-26 (2008)


Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))		BDBM92945
PNG
(Piperazine derivative, 10)
Show SMILES O[C@H](CCCCCCCc1ccccc1)CN1CCN(C[C@H](O)CCCCCCCc2ccccc2)CC1 |r|
Show InChI InChI=1S/C34H54N2O2/c37-33(23-15-5-1-3-9-17-31-19-11-7-12-20-31)29-35-25-27-36(28-26-35)30-34(38)24-16-6-2-4-10-18-32-21-13-8-14-22-32/h7-8,11-14,19-22,33-34,37-38H,1-6,9-10,15-18,23-30H2/t33-,34-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).

Biochemistry 47: 10816-26 (2008)


Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))		BDBM92949
PNG
(Piperazine derivative, 13)
Show SMILES O[C@H](CCCCCCCc1ccccc1)CN1CCCN(C[C@H](O)CCCCCCCc2ccccc2)CC1 |r|
Show InChI InChI=1S/C35H56N2O2/c38-34(24-15-5-1-3-9-18-32-20-11-7-12-21-32)30-36-26-17-27-37(29-28-36)31-35(39)25-16-6-2-4-10-19-33-22-13-8-14-23-33/h7-8,11-14,20-23,34-35,38-39H,1-6,9-10,15-19,24-31H2/t34-,35-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).

Biochemistry 47: 10816-26 (2008)


Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))		BDBM92946
PNG
(Piperazine derivative, 9)
Show SMILES O[C@H](CCCCCCc1ccccc1)CN1CCN(C[C@H](O)CCCCCCc2ccccc2)CC1 |r|
Show InChI InChI=1S/C32H50N2O2/c35-31(21-13-3-1-7-15-29-17-9-5-10-18-29)27-33-23-25-34(26-24-33)28-32(36)22-14-4-2-8-16-30-19-11-6-12-20-30/h5-6,9-12,17-20,31-32,35-36H,1-4,7-8,13-16,21-28H2/t31-,32-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).

Biochemistry 47: 10816-26 (2008)


Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ
More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(Bos taurus)		BDBM50411085
PNG
(CHEMBL464549)
Show SMILES CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCC |r|
Show InChI InChI=1S/C30H58O4/c1-3-5-7-9-11-13-15-17-19-25(31)27-21-23-29(33-27)30-24-22-28(34-30)26(32)20-18-16-14-12-10-8-6-4-2/h25-32H,3-24H2,1-2H3/t25-,26-,27-,28-,29-,30-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of bovine mitochondrial NADH-ubiquinone oxidoreductase by NADH oxidase assay

Bioorg Med Chem Lett 16: 3555-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.082
BindingDB Entry DOI: 10.7270/Q2Z60Q8N
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))		BDBM92955
PNG
(Piperazine derivative, 19)
Show SMILES C(CCCCc1ccccc1)CCCN1CCN(CCCCCCCCc2ccccc2)CC1
Show InChI InChI=1S/C32H50N2/c1(5-11-19-31-21-13-9-14-22-31)3-7-17-25-33-27-29-34(30-28-33)26-18-8-4-2-6-12-20-32-23-15-10-16-24-32/h9-10,13-16,21-24H,1-8,11-12,17-20,25-30H2
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n/an/a 2.20n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).

Biochemistry 47: 10816-26 (2008)


Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))		BDBM92948
PNG
(Piperazine derivative, 12)
Show SMILES O[C@@H](CCCCCCc1ccccc1)CN1CCN(C[C@@H](O)CCCCCCc2ccccc2)CC1 |r|
Show InChI InChI=1S/C32H50N2O2/c35-31(21-13-3-1-7-15-29-17-9-5-10-18-29)27-33-23-25-34(26-24-33)28-32(36)22-14-4-2-8-16-30-19-11-6-12-20-30/h5-6,9-12,17-20,31-32,35-36H,1-4,7-8,13-16,21-28H2/t31-,32-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).

Biochemistry 47: 10816-26 (2008)


Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))		BDBM92941
PNG
(Piperazine derivative, 5)
Show SMILES CCCCCCCCCCC(O)CN1CCN(CC(O)CCCCCCCCCC)CC1
Show InChI InChI=1S/C28H58N2O2/c1-3-5-7-9-11-13-15-17-19-27(31)25-29-21-23-30(24-22-29)26-28(32)20-18-16-14-12-10-8-6-4-2/h27-28,31-32H,3-26H2,1-2H3
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n/an/a 2.60n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).

Biochemistry 47: 10816-26 (2008)


Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))		BDBM92950
PNG
(Piperazine derivative, 14)
Show SMILES O[C@H](CCCCCCCc1ccccc1)CN1C[C@H]2C[C@@H]1CN2C[C@H](O)CCCCCCCc1ccccc1 |r|
Show InChI InChI=1S/C35H54N2O2/c38-34(23-15-5-1-3-9-17-30-19-11-7-12-20-30)28-36-26-33-25-32(36)27-37(33)29-35(39)24-16-6-2-4-10-18-31-21-13-8-14-22-31/h7-8,11-14,19-22,32-35,38-39H,1-6,9-10,15-18,23-29H2/t32-,33-,34-,35-/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).

Biochemistry 47: 10816-26 (2008)


Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ
More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(Bos taurus)		BDBM50411084
PNG
(CHEMBL208839)
Show SMILES CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCC
Show InChI InChI=1S/C26H50O4/c1-3-5-7-9-10-11-12-14-16-22(28)24-18-20-26(30-24)25-19-17-23(29-25)21(27)15-13-8-6-4-2/h21-28H,3-20H2,1-2H3/t21-,22-,23-,24-,25-,26-/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of bovine mitochondrial NADH-ubiquinone oxidoreductase by NADH oxidase assay

Bioorg Med Chem Lett 16: 3555-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.082
BindingDB Entry DOI: 10.7270/Q2Z60Q8N
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))		BDBM92956
PNG
(Piperazine derivative, 20)
Show SMILES C(CCCCN1CCN(CCCCCCCCCc2ccccc2)CC1)CCCCc1ccccc1
Show InChI InChI=1S/C34H54N2/c1(3-7-13-21-33-23-15-11-16-24-33)5-9-19-27-35-29-31-36(32-30-35)28-20-10-6-2-4-8-14-22-34-25-17-12-18-26-34/h11-12,15-18,23-26H,1-10,13-14,19-22,27-32H2
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n/an/a 3.60n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).

Biochemistry 47: 10816-26 (2008)


Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))		BDBM92947
PNG
(Piperazine derivative, 11)
Show SMILES O[C@H](CCCCCCCCCc1ccccc1)CN1CCN(C[C@H](O)CCCCCCCCCc2ccccc2)CC1 |r|
Show InChI InChI=1S/C38H62N2O2/c41-37(27-19-9-5-1-3-7-13-21-35-23-15-11-16-24-35)33-39-29-31-40(32-30-39)34-38(42)28-20-10-6-2-4-8-14-22-36-25-17-12-18-26-36/h11-12,15-18,23-26,37-38,41-42H,1-10,13-14,19-22,27-34H2/t37-,38-/m1/s1
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n/an/a 5.90n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).

Biochemistry 47: 10816-26 (2008)


Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ
More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(Bos taurus)		BDBM50411092
PNG
(CHEMBL209302)
Show SMILES CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCC
Show InChI InChI=1S/C30H58O4/c1-3-5-7-9-11-12-13-14-16-18-20-26(32)28-22-24-30(34-28)29-23-21-27(33-29)25(31)19-17-15-10-8-6-4-2/h25-32H,3-24H2,1-2H3/t25-,26-,27-,28-,29-,30-/m1/s1
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n/an/a 7.5n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of bovine mitochondrial NADH-ubiquinone oxidoreductase by NADH oxidase assay

Bioorg Med Chem Lett 16: 3555-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.082
BindingDB Entry DOI: 10.7270/Q2Z60Q8N
More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(Bos taurus)		BDBM50411088
PNG
(CHEMBL211108)
Show SMILES CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCCC
Show InChI InChI=1S/C34H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-29(35)31-25-27-33(37-31)34-28-26-32(38-34)30(36)24-22-20-18-16-14-12-10-8-6-4-2/h29-36H,3-28H2,1-2H3/t29-,30-,31-,32-,33-,34-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of bovine mitochondrial NADH-ubiquinone oxidoreductase by NADH oxidase assay

Bioorg Med Chem Lett 16: 3555-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.082
BindingDB Entry DOI: 10.7270/Q2Z60Q8N
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))		BDBM92954
PNG
(Piperazine derivative, 18)
Show SMILES C(CCCN1CCN(CCCCCCCc2ccccc2)CC1)CCCc1ccccc1
Show InChI InChI=1S/C30H46N2/c1(3-9-17-29-19-11-7-12-20-29)5-15-23-31-25-27-32(28-26-31)24-16-6-2-4-10-18-30-21-13-8-14-22-30/h7-8,11-14,19-22H,1-6,9-10,15-18,23-28H2
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n/an/a 12n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).

Biochemistry 47: 10816-26 (2008)


Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))		BDBM92944
PNG
(Piperazine derivative, 8)
Show SMILES O[C@H](CCCCCc1ccccc1)CN1CCN(C[C@H](O)CCCCCc2ccccc2)CC1 |r|
Show InChI InChI=1S/C30H46N2O2/c33-29(19-11-3-9-17-27-13-5-1-6-14-27)25-31-21-23-32(24-22-31)26-30(34)20-12-4-10-18-28-15-7-2-8-16-28/h1-2,5-8,13-16,29-30,33-34H,3-4,9-12,17-26H2/t29-,30-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).

Biochemistry 47: 10816-26 (2008)


Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50406796
PNG
(CHEMBL2115161)
Show SMILES C[C@@H](O)[C@H](NC(C)=O)C(=O)NCCCC[C@H](NC(=O)c1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C38H46N6O6/c1-25(45)34(41-26(2)46)37(49)39-21-13-12-20-32(42-35(47)30-23-40-31-19-11-10-18-29(30)31)36(48)43-33(22-27-14-6-4-7-15-27)38(50)44(3)24-28-16-8-5-9-17-28/h4-11,14-19,23,25,32-34,40,45H,12-13,20-22,24H2,1-3H3,(H,39,49)(H,41,46)(H,42,47)(H,43,48)/t25-,32+,33-,34+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition against [3H]-SP (substance P) (1 nM) binding to NK1 receptor in guinea pig lung membranes

J Med Chem 36: 2266-78 (1993)


BindingDB Entry DOI: 10.7270/Q2TQ60K6
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50033612
PNG
(1H-Indole-2-carboxylic acid {5-(2-acetylamino-3-hy...)
Show SMILES C[C@@H](O)C(NC(C)=O)C(=O)NCCCCC(NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C38H46N6O6/c1-25(45)34(40-26(2)46)37(49)39-21-13-12-20-31(42-36(48)32-23-29-18-10-11-19-30(29)41-32)35(47)43-33(22-27-14-6-4-7-15-27)38(50)44(3)24-28-16-8-5-9-17-28/h4-11,14-19,23,25,31,33-34,41,45H,12-13,20-22,24H2,1-3H3,(H,39,49)(H,40,46)(H,42,48)(H,43,47)/t25-,31?,33-,34?/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition against [3H]-SP (substance P) (1 nM) binding to NK1 receptor in guinea pig lung membranes

J Med Chem 36: 2266-78 (1993)


BindingDB Entry DOI: 10.7270/Q2TQ60K6
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50033610
PNG
(1H-Indole-3-carboxylic acid {4-(2-acetylamino-3-hy...)
Show SMILES C[C@@H](O)C(NC(C)=O)C(=O)NCCCC(NC(=O)c1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C37H44N6O6/c1-24(44)33(40-25(2)45)36(48)38-20-12-19-31(41-34(46)29-22-39-30-18-11-10-17-28(29)30)35(47)42-32(21-26-13-6-4-7-14-26)37(49)43(3)23-27-15-8-5-9-16-27/h4-11,13-18,22,24,31-33,39,44H,12,19-21,23H2,1-3H3,(H,38,48)(H,40,45)(H,41,46)(H,42,47)/t24-,31?,32-,33?/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition against [3H]-SP (substance P) (1 nM) binding to NK1 receptor in guinea pig lung membranes

J Med Chem 36: 2266-78 (1993)


BindingDB Entry DOI: 10.7270/Q2TQ60K6
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50033611
PNG
(CHEMBL264384 | N*1*-[1-(Benzyl-methyl-carbamoyl)-2...)
Show SMILES C[C@@H](O)C(NC(=O)CC(NC(=O)c1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H38N6O6/c1-21(41)30(31(35)43)39-29(42)18-27(37-32(44)25-19-36-26-16-10-9-15-24(25)26)33(45)38-28(17-22-11-5-3-6-12-22)34(46)40(2)20-23-13-7-4-8-14-23/h3-16,19,21,27-28,30,36,41H,17-18,20H2,1-2H3,(H2,35,43)(H,37,44)(H,38,45)(H,39,42)/t21-,27?,28-,30?/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition against [3H]-SP (substance P) (1 nM) binding to NK1 receptor in guinea pig lung membranes

J Med Chem 36: 2266-78 (1993)


BindingDB Entry DOI: 10.7270/Q2TQ60K6
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))		BDBM92942
PNG
(Piperazine derivative, 6)
Show SMILES CCCCCCCCCCCCCCC(O)CN1CCN(CC(O)CCCCCC)CC1
Show InChI InChI=1S/C28H58N2O2/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-28(32)26-30-23-21-29(22-24-30)25-27(31)19-17-8-6-4-2/h27-28,31-32H,3-26H2,1-2H3
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n/an/a 26n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).

Biochemistry 47: 10816-26 (2008)


Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ
More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(Bos taurus)		BDBM50411091
PNG
(CHEMBL377863)
Show SMILES CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCC(CCC)CCC
Show InChI InChI=1S/C30H58O4/c1-4-7-8-9-10-11-12-13-18-25(31)27-20-22-29(33-27)30-23-21-28(34-30)26(32)19-14-17-24(15-5-2)16-6-3/h24-32H,4-23H2,1-3H3/t25-,26-,27-,28-,29-,30-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of bovine mitochondrial NADH-ubiquinone oxidoreductase by NADH oxidase assay

Bioorg Med Chem Lett 16: 3555-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.082
BindingDB Entry DOI: 10.7270/Q2Z60Q8N
More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(Bos taurus)		BDBM50411087
PNG
(CHEMBL377013)
Show SMILES CCCCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCC
Show InChI InChI=1S/C30H58O4/c1-3-5-7-9-10-11-12-13-14-15-16-18-20-26(32)28-22-24-30(34-28)29-23-21-27(33-29)25(31)19-17-8-6-4-2/h25-32H,3-24H2,1-2H3/t25-,26-,27-,28-,29-,30-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of bovine mitochondrial NADH-ubiquinone oxidoreductase by NADH oxidase assay

Bioorg Med Chem Lett 16: 3555-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.082
BindingDB Entry DOI: 10.7270/Q2Z60Q8N
More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(Bos taurus)		BDBM50411082
PNG
(CHEMBL208980)
Show SMILES CCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCC
Show InChI InChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-21(27)23-17-19-25(29-23)26-20-18-24(30-26)22(28)16-14-12-10-8-6-4-2/h21-28H,3-20H2,1-2H3/t21-,22-,23-,24-,25-,26-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of bovine mitochondrial NADH-ubiquinone oxidoreductase by NADH oxidase assay

Bioorg Med Chem Lett 16: 3555-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.082
BindingDB Entry DOI: 10.7270/Q2Z60Q8N
More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(Bos taurus)		BDBM50411083
PNG
(CHEMBL379529)
Show SMILES CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CC
Show InChI InChI=1S/C22H42O4/c1-3-5-6-7-8-9-10-11-12-18(24)20-14-16-22(26-20)21-15-13-19(25-21)17(23)4-2/h17-24H,3-16H2,1-2H3/t17-,18-,19-,20-,21-,22-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of bovine mitochondrial NADH-ubiquinone oxidoreductase by NADH oxidase assay

Bioorg Med Chem Lett 16: 3555-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.082
BindingDB Entry DOI: 10.7270/Q2Z60Q8N
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50033609
PNG
(CHEMBL306267 | N*1*-[1-(Benzyl-methyl-carbamoyl)-2...)
Show SMILES C[C@@H](O)C(NC(=O)CC(NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C34H38N6O6/c1-21(41)30(31(35)43)39-29(42)19-27(37-32(44)26-18-24-15-9-10-16-25(24)36-26)33(45)38-28(17-22-11-5-3-6-12-22)34(46)40(2)20-23-13-7-4-8-14-23/h3-16,18,21,27-28,30,36,41H,17,19-20H2,1-2H3,(H2,35,43)(H,37,44)(H,38,45)(H,39,42)/t21-,27?,28-,30?/m1/s1
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n/an/a 54n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition against [3H]-SP (substance P) (1 nM) binding to NK1 receptor in guinea pig lung membranes

J Med Chem 36: 2266-78 (1993)


BindingDB Entry DOI: 10.7270/Q2TQ60K6
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50002533
PNG
(2-[2-(2-tert-Butoxycarbonylamino-4-carbamoyl-butyr...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C38H43N5O8/c1-38(2,3)51-37(49)42-29(18-19-33(39)45)34(46)40-30(21-27-22-43(24-44)32-17-11-10-16-28(27)32)35(47)41-31(20-25-12-6-4-7-13-25)36(48)50-23-26-14-8-5-9-15-26/h4-17,22,24,29-31H,18-21,23H2,1-3H3,(H2,39,45)(H,40,46)(H,41,47)(H,42,49)/t29-,30+,31-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of specific binding of [3H]SP to tachykinin receptor 1 from the isolated guinea pig tracheal strips

J Med Chem 35: 2015-25 (1992)


BindingDB Entry DOI: 10.7270/Q2WS8TVS
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50002568
PNG
(CHEMBL304472 | benzyl 2-[2-(1-formyl-1H-3-indolyl)...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C36H40N4O8/c1-36(2,3)48-35(46)39-30(21-41)33(44)37-28(19-26-20-40(23-42)31-17-11-10-16-27(26)31)32(43)38-29(18-24-12-6-4-7-13-24)34(45)47-22-25-14-8-5-9-15-25/h4-17,20,23,28-30,41H,18-19,21-22H2,1-3H3,(H,37,44)(H,38,43)(H,39,46)/t28-,29+,30+/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of specific binding of [3H]SP to tachykinin receptor 1 from the isolated guinea pig tracheal strips

J Med Chem 35: 2015-25 (1992)


BindingDB Entry DOI: 10.7270/Q2WS8TVS
More data for this
Ligand-Target Pair
NADH-ubiquinone oxidoreductase chain 1


(Bos taurus (Bovine))		BDBM92943
PNG
(Piperazine derivative, 7)
Show SMILES CCCCCCCCCCCCCCCCC(O)CN1CCN(CC(O)CCCC)CC1
Show InChI InChI=1S/C28H58N2O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-28(32)26-30-23-21-29(22-24-30)25-27(31)19-6-4-2/h27-28,31-32H,3-26H2,1-2H3
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n/an/a 110n/an/an/an/an/an/a



Kyoto University



Assay Description
Inhibition assay using NADH-ubiquinone oxidoreductase (complex I).

Biochemistry 47: 10816-26 (2008)


Article DOI: 10.1021/bi8010362
BindingDB Entry DOI: 10.7270/Q2D50KKQ
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50002552
PNG
(CHEMBL303337 | benzyl 2-[2-(1-formyl-1H-3-indolyl)...)
Show SMILES C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C37H42N4O8/c1-24(43)32(40-36(47)49-37(2,3)4)34(45)38-29(20-27-21-41(23-42)31-18-12-11-17-28(27)31)33(44)39-30(19-25-13-7-5-8-14-25)35(46)48-22-26-15-9-6-10-16-26/h5-18,21,23-24,29-30,32,43H,19-20,22H2,1-4H3,(H,38,45)(H,39,44)(H,40,47)/t24-,29-,30+,32+/m1/s1
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Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of specific binding of [3H]SP to tachykinin receptor 1 from the isolated guinea pig tracheal strips

J Med Chem 35: 2015-25 (1992)


BindingDB Entry DOI: 10.7270/Q2WS8TVS
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50033613
PNG
(1H-Indole-2-carboxylic acid {4-(2-acetylamino-3-hy...)
Show SMILES C[C@@H](O)C(NC(C)=O)C(=O)NCCCC(NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C37H44N6O6/c1-24(44)33(39-25(2)45)36(48)38-20-12-19-30(41-35(47)31-22-28-17-10-11-18-29(28)40-31)34(46)42-32(21-26-13-6-4-7-14-26)37(49)43(3)23-27-15-8-5-9-16-27/h4-11,13-18,22,24,30,32-33,40,44H,12,19-21,23H2,1-3H3,(H,38,48)(H,39,45)(H,41,47)(H,42,46)/t24-,30?,32-,33?/m1/s1
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Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition against [3H]-SP (substance P) (1 nM) binding to NK1 receptor in guinea pig lung membranes

J Med Chem 36: 2266-78 (1993)


BindingDB Entry DOI: 10.7270/Q2TQ60K6
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50002562
PNG
(CHEMBL294798 | benzyl 2-[1-[3-carbamoyl-1-neopenty...)
Show SMILES CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C38H43N5O8/c1-38(2,3)51-37(49)42-29(18-19-33(39)45)34(46)40-30(21-27-22-43(24-44)32-17-11-10-16-28(27)32)35(47)41-31(20-25-12-6-4-7-13-25)36(48)50-23-26-14-8-5-9-15-26/h4-17,22,24,29-31H,18-21,23H2,1-3H3,(H2,39,45)(H,40,46)(H,41,47)(H,42,49)/t29-,30-,31+/m1/s1
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Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of specific binding of [3H]SP to tachykinin receptor 1 from the isolated guinea pig tracheal strips

J Med Chem 35: 2015-25 (1992)


BindingDB Entry DOI: 10.7270/Q2WS8TVS
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50002543
PNG
(CHEMBL59615 | benzyl 2-[2-[3-carbamoyl-1-neopentyl...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N1Cc2ccccc2CC1C(=O)OCc1ccccc1
Show InChI InChI=1S/C39H43N5O8/c1-39(2,3)52-38(50)42-30(17-18-34(40)46)35(47)41-31(19-28-21-43(24-45)32-16-10-9-15-29(28)32)36(48)44-22-27-14-8-7-13-26(27)20-33(44)37(49)51-23-25-11-5-4-6-12-25/h4-16,21,24,30-31,33H,17-20,22-23H2,1-3H3,(H2,40,46)(H,41,47)(H,42,50)/t30-,31+,33?/m0/s1
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Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of specific binding of [3H]SP to tachykinin receptor 1 from the isolated guinea pig tracheal strips

J Med Chem 35: 2015-25 (1992)


BindingDB Entry DOI: 10.7270/Q2WS8TVS
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50002545
PNG
(CHEMBL544284 | benzyl 2-[1-[1-amino-3-carbamoyl-(1...)
Show SMILES N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C33H35N5O6/c34-26(15-16-30(35)40)31(41)36-27(18-24-19-38(21-39)29-14-8-7-13-25(24)29)32(42)37-28(17-22-9-3-1-4-10-22)33(43)44-20-23-11-5-2-6-12-23/h1-14,19,21,26-28H,15-18,20,34H2,(H2,35,40)(H,36,41)(H,37,42)/t26-,27+,28-/m0/s1
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Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of specific binding of [3H]SP to tachykinin receptor 1 from the isolated guinea pig tracheal strips

J Med Chem 35: 2015-25 (1992)


BindingDB Entry DOI: 10.7270/Q2WS8TVS
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50002571
PNG
(CHEMBL293355 | benzyl 2-[1-[3-carbamoyl-1-neopenty...)
Show SMILES CN([C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)C(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C39H45N5O8/c1-39(2,3)52-38(50)42-30(19-20-34(40)46)35(47)41-31(22-28-23-44(25-45)32-18-12-11-17-29(28)32)36(48)43(4)33(21-26-13-7-5-8-14-26)37(49)51-24-27-15-9-6-10-16-27/h5-18,23,25,30-31,33H,19-22,24H2,1-4H3,(H2,40,46)(H,41,47)(H,42,50)/t30-,31+,33-/m0/s1
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Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of specific binding of [3H]SP to tachykinin receptor 1 from the isolated guinea pig tracheal strips

J Med Chem 35: 2015-25 (1992)


BindingDB Entry DOI: 10.7270/Q2WS8TVS
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50002573
PNG
(CHEMBL58245 | benzyl 2-[2-(1-formyl-1H-3-indolyl)-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C42H44N4O8/c1-42(2,3)54-41(52)45-34(22-29-18-20-32(48)21-19-29)38(49)43-35(24-31-25-46(27-47)37-17-11-10-16-33(31)37)39(50)44-36(23-28-12-6-4-7-13-28)40(51)53-26-30-14-8-5-9-15-30/h4-21,25,27,34-36,48H,22-24,26H2,1-3H3,(H,43,49)(H,44,50)(H,45,52)/t34-,35+,36-/m0/s1
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Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of specific binding of [3H]SP to tachykinin receptor 1 from the isolated guinea pig tracheal strips

J Med Chem 35: 2015-25 (1992)


BindingDB Entry DOI: 10.7270/Q2WS8TVS
More data for this
Ligand-Target Pair
Acyl carrier protein, mitochondrial


(Bos taurus)		BDBM50411093
PNG
(CHEMBL211884)
Show SMILES CCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@@H](C)O
Show InChI InChI=1S/C21H40O4/c1-3-4-5-6-7-8-9-10-11-17(23)19-13-15-21(25-19)20-14-12-18(24-20)16(2)22/h16-23H,3-15H2,1-2H3/t16-,17-,18-,19-,20-,21-/m1/s1
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n/an/a 280n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of bovine mitochondrial NADH-ubiquinone oxidoreductase by NADH oxidase assay

Bioorg Med Chem Lett 16: 3555-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.082
BindingDB Entry DOI: 10.7270/Q2Z60Q8N
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50002563
PNG
(CHEMBL62357 | benzyl 2-[1-[3-carbamoyl-1-neopentyl...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C38H43N5O8/c1-38(2,3)51-37(49)42-29(18-19-33(39)45)34(46)40-30(21-27-22-43(24-44)32-17-11-10-16-28(27)32)35(47)41-31(20-25-12-6-4-7-13-25)36(48)50-23-26-14-8-5-9-15-26/h4-17,22,24,29-31H,18-21,23H2,1-3H3,(H2,39,45)(H,40,46)(H,41,47)(H,42,49)/t29-,30-,31-/m0/s1
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Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of specific binding of [3H]SP to tachykinin receptor 1 from the isolated guinea pig tracheal strips

J Med Chem 35: 2015-25 (1992)


BindingDB Entry DOI: 10.7270/Q2WS8TVS
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)		BDBM50002560
PNG
(CHEMBL294814 | benzyl 2-[1-[3-carbamoyl-1-neopenty...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C35H42N4O7/c1-35(2,3)46-34(44)39-27(19-20-30(36)40)31(41)37-28(21-24-13-7-4-8-14-24)32(42)38-29(22-25-15-9-5-10-16-25)33(43)45-23-26-17-11-6-12-18-26/h4-18,27-29H,19-23H2,1-3H3,(H2,36,40)(H,37,41)(H,38,42)(H,39,44)/t27-,28+,29-/m0/s1
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Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of specific binding of [3H]SP to tachykinin receptor 1 from the isolated guinea pig tracheal strips

J Med Chem 35: 2015-25 (1992)


BindingDB Entry DOI: 10.7270/Q2WS8TVS
More data for this
Ligand-Target Pair
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