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4 similar compounds to monomer 50218397

Compile data set for download or QSAR
Wt: 445.5
BDBM50218408
Wt: 440.5
BDBM50218411
Wt: 541.4
BDBM50221408
Wt: 596.9
BDBM50221412

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50218408,50218411,50221408,50221412   
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50218408
PNG
(CHEMBL315209)
Show SMILES Fc1ccccc1\C=C\C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1
Show InChI InChI=1S/C28H32FN3O/c29-27-4-2-1-3-24(27)9-12-28(33)31-26-10-6-21(7-11-26)13-16-32-17-14-23-8-5-22(20-30)19-25(23)15-18-32/h1-5,8-9,12,19,21,26H,6-7,10-11,13-18H2,(H,31,33)/b12-9+/t21-,26-
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10n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D3 by displacement of [125I]iodosulpiride expressed in CHO cells


Bioorg Med Chem Lett 10: 2553-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00505-9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50218411
PNG
(CHEMBL82864)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C28H32N4O/c29-19-21-5-8-22-12-15-32(16-13-23(22)17-21)14-11-20-6-9-25(10-7-20)30-28(33)27-18-24-3-1-2-4-26(24)31-27/h1-5,8,17-18,20,25,31H,6-7,9-16H2,(H,30,33)/t20-,25-
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16n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D3 by displacement of [125I]iodosulpiride expressed in CHO cells


Bioorg Med Chem Lett 10: 2553-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00505-9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50218411
PNG
(CHEMBL82864)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C28H32N4O/c29-19-21-5-8-22-12-15-32(16-13-23(22)17-21)14-11-20-6-9-25(10-7-20)30-28(33)27-18-24-3-1-2-4-26(24)31-27/h1-5,8,17-18,20,25,31H,6-7,9-16H2,(H,30,33)/t20-,25-
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316n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D2 by displacement of [125I]iodosulpiride expressed in CHO cells


Bioorg Med Chem Lett 10: 2553-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00505-9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50218408
PNG
(CHEMBL315209)
Show SMILES Fc1ccccc1\C=C\C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1
Show InChI InChI=1S/C28H32FN3O/c29-27-4-2-1-3-24(27)9-12-28(33)31-26-10-6-21(7-11-26)13-16-32-17-14-23-8-5-22(20-30)19-25(23)15-18-32/h1-5,8-9,12,19,21,26H,6-7,10-11,13-18H2,(H,31,33)/b12-9+/t21-,26-
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631n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human Dopamine receptor D2 by displacement of [125I]iodosulpiride expressed in CHO cells


Bioorg Med Chem Lett 10: 2553-5 (2000)


Article DOI: 10.1016/s0960-894x(00)00505-9
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase/UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase


(Escherichia coli (strain K12))
BDBM50221408
PNG
(CHEMBL97276)
Show SMILES CO[C@H]1[C@@H](O)[C@@H](O[C@@H]1[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)Nc1nccs1)C(N)=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C20H23N5O11S/c1-33-12-11(29)17(25-4-2-9(27)23-20(25)32)35-13(12)14(15(21)30)36-18-10(28)7(26)6-8(34-18)16(31)24-19-22-3-5-37-19/h2-7,10-14,17-18,26,28-29H,1H3,(H2,21,30)(H,22,24,31)(H,23,27,32)/t7-,10-,11+,12-,13-,14+,17+,18+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against translocase I


Bioorg Med Chem Lett 13: 2829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00596-1
BindingDB Entry DOI: 10.7270/Q2TD9WR7
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase/UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase


(Escherichia coli (strain K12))
BDBM50221412
PNG
(CHEMBL97734)
Show SMILES CO[C@H]1[C@@H](O)[C@@H](O[C@@H]1[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)NCCc1ccccc1Cl)C(N)=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C25H29ClN4O11/c1-38-18-17(34)23(30-9-7-15(32)29-25(30)37)40-19(18)20(21(27)35)41-24-16(33)13(31)10-14(39-24)22(36)28-8-6-11-4-2-3-5-12(11)26/h2-5,7,9-10,13,16-20,23-24,31,33-34H,6,8H2,1H3,(H2,27,35)(H,28,36)(H,29,32,37)/t13-,16-,17+,18-,19-,20+,23+,24+/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against translocase I


Bioorg Med Chem Lett 13: 2829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00596-1
BindingDB Entry DOI: 10.7270/Q2TD9WR7
More data for this
Ligand-Target Pair