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7 similar compounds to monomer 50011398

Compile data set for download or QSAR
Wt: 318.3
BDBM50011394		Wt: 333.3
BDBM50011395		Wt: 363.3
BDBM50011396		Wt: 359.3
BDBM50039170		Wt: 375.4
BDBM50039171
Wt: 375.4
BDBM50039172		Wt: 359.3
BDBM50039173

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50011394,50011395,50011396,50039170,50039171,50039172,50039173   
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
SLC6A3


(BOVINE)		BDBM50011395
PNG
(3-(3-Amino-phenylcarbamoyloxy)-8-methyl-8-aza-bicy...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)Nc1cccc(N)c1)N2C
Show InChI InChI=1S/C17H23N3O4/c1-20-12-6-7-13(20)15(16(21)23-2)14(9-12)24-17(22)19-11-5-3-4-10(18)8-11/h3-5,8,12-15H,6-7,9,18H2,1-2H3,(H,19,22)/t12-,13?,14+,15?/m1/s1
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n/an/a 2.07E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards [3H]cocaine binding to rat striatal tissue

J Med Chem 34: 702-5 (1991)


Article DOI: 10.1021/jm00106a035
BindingDB Entry DOI: 10.7270/Q2X34Z21
More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)		BDBM50011394
PNG
(8-Methyl-3-phenylcarbamoyloxy-8-aza-bicyclo[3.2.1]...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)Nc1ccccc1)N2C
Show InChI InChI=1S/C17H22N2O4/c1-19-12-8-9-13(19)15(16(20)22-2)14(10-12)23-17(21)18-11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3,(H,18,21)/t12-,13?,14+,15?/m1/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards [3H]cocaine binding to rat striatal tissue

J Med Chem 34: 702-5 (1991)


Article DOI: 10.1021/jm00106a035
BindingDB Entry DOI: 10.7270/Q2X34Z21
More data for this
Ligand-Target Pair
SLC6A3


(BOVINE)		BDBM50011396
PNG
(8-Methyl-3-(4-nitro-phenylcarbamoyloxy)-8-aza-bicy...)
Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1OC(=O)Nc1ccc(cc1)[N+]([O-])=O)N2C
Show InChI InChI=1S/C17H21N3O6/c1-19-12-7-8-13(19)15(16(21)25-2)14(9-12)26-17(22)18-10-3-5-11(6-4-10)20(23)24/h3-6,12-15H,7-9H2,1-2H3,(H,18,22)/t12-,13?,14+,15?/m1/s1
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n/an/a 1.09E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards [3H]cocaine binding to rat striatal tissue

J Med Chem 34: 702-5 (1991)


Article DOI: 10.1021/jm00106a035
BindingDB Entry DOI: 10.7270/Q2X34Z21
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50039171
PNG
((R)-3-(3-Isothiocyanato-phenylcarbamoyloxy)-8-meth...)
Show SMILES COC(=O)C1C2CC[C@H](CC1OC(=O)Nc1cccc(c1)N=C=S)N2C
Show InChI InChI=1S/C18H21N3O4S/c1-21-13-6-7-14(21)16(17(22)24-2)15(9-13)25-18(23)20-12-5-3-4-11(8-12)19-10-26/h3-5,8,13-16H,6-7,9H2,1-2H3,(H,20,23)/t13-,14?,15?,16?/m1/s1
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n/an/a 960n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]cocaine binding to rat striatal P2 membranes

J Med Chem 37: 2249-52 (1994)


Article DOI: 10.1021/jm00040a019
BindingDB Entry DOI: 10.7270/Q2K93864
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50039172
PNG
((R)-3-(4-Isothiocyanato-phenylcarbamoyloxy)-8-meth...)
Show SMILES COC(=O)C1C2CC[C@H](CC1OC(=O)Nc1ccc(cc1)N=C=S)N2C
Show InChI InChI=1S/C18H21N3O4S/c1-21-13-7-8-14(21)16(17(22)24-2)15(9-13)25-18(23)20-12-5-3-11(4-6-12)19-10-26/h3-6,13-16H,7-9H2,1-2H3,(H,20,23)/t13-,14?,15?,16?/m1/s1
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n/an/a 260n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]cocaine binding to rat striatal P2 membranes

J Med Chem 37: 2249-52 (1994)


Article DOI: 10.1021/jm00040a019
BindingDB Entry DOI: 10.7270/Q2K93864
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50039173
PNG
((R)-3-(4-Azido-phenylcarbamoyloxy)-8-methyl-8-aza-...)
Show SMILES COC(=O)C1C2CC[C@H](CC1OC(=O)Nc1ccc(cc1)N=[N+]=[N-])N2C
Show InChI InChI=1S/C17H21N5O4/c1-22-12-7-8-13(22)15(16(23)25-2)14(9-12)26-17(24)19-10-3-5-11(6-4-10)20-21-18/h3-6,12-15H,7-9H2,1-2H3,(H,19,24)/t12-,13?,14?,15?/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]cocaine binding to rat striatal P2 membranes

J Med Chem 37: 2249-52 (1994)


Article DOI: 10.1021/jm00040a019
BindingDB Entry DOI: 10.7270/Q2K93864
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))		BDBM50039170
PNG
((R)-3-(3-Azido-phenylcarbamoyloxy)-8-methyl-8-aza-...)
Show SMILES COC(=O)C1C2CC[C@H](CC1OC(=O)Nc1cccc(c1)N=[N+]=[N-])N2C
Show InChI InChI=1S/C17H21N5O4/c1-22-12-6-7-13(22)15(16(23)25-2)14(9-12)26-17(24)19-10-4-3-5-11(8-10)20-21-18/h3-5,8,12-15H,6-7,9H2,1-2H3,(H,19,24)/t12-,13?,14?,15?/m1/s1
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n/an/a 630n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Tested for inhibition of [3H]cocaine binding to rat striatal P2 membranes

J Med Chem 37: 2249-52 (1994)


Article DOI: 10.1021/jm00040a019
BindingDB Entry DOI: 10.7270/Q2K93864
More data for this
Ligand-Target Pair