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BDBM50309961 CHEMBL3217125::N-((cis)-4-aminocyclohexyl)-N-(3-chlorobenzyl)-1-methyl-1H-imidazole-4-carboxamide dihydrochloride

SMILES: Cl.Cl.Cl.Cn1cnc(c1)C(=O)N(Cc1cccc(Cl)c1)[C@@H]1CC[C@H](N)CC1

InChI Key: InChIKey=DNRRPNHABAPADP-IYBDPMFKSA-N

Data: 2 KI  4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50309961   
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
Glycine transporter 1


(Homo sapiens (Human))		BDBM50309961
PNG
(CHEMBL3217125 | N-((cis)-4-aminocyclohexyl)-N-(3-c...)
Show SMILES Cl.Cl.Cl.Cn1cnc(c1)C(=O)N(Cc1cccc(Cl)c1)[C@@H]1CC[C@H](N)CC1 |r,wU:20.18,23.22,(13.03,-2.95,;10.47,-2.95,;7.9,-2.95,;2.49,-8.74,;3.22,-7.74,;4.76,-7.75,;5.24,-6.29,;3.99,-5.4,;2.75,-6.28,;4,-3.86,;5.07,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,2.77,;1.33,.77,;1.33,-3.85,;-0,-3.08,;-1.34,-3.84,;-1.34,-5.38,;-2.41,-6,;-.01,-6.16,;1.32,-5.39,)|
Show InChI InChI=1S/C18H23ClN4O/c1-22-11-17(21-12-22)18(24)23(16-7-5-15(20)6-8-16)10-13-3-2-4-14(19)9-13/h2-4,9,11-12,15-16H,5-8,10,20H2,1H3/t15-,16+
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 1.80n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells

Bioorg Med Chem Lett 20: 907-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50309961
PNG
(CHEMBL3217125 | N-((cis)-4-aminocyclohexyl)-N-(3-c...)
Show SMILES Cl.Cl.Cl.Cn1cnc(c1)C(=O)N(Cc1cccc(Cl)c1)[C@@H]1CC[C@H](N)CC1 |r,wU:20.18,23.22,(13.03,-2.95,;10.47,-2.95,;7.9,-2.95,;2.49,-8.74,;3.22,-7.74,;4.76,-7.75,;5.24,-6.29,;3.99,-5.4,;2.75,-6.28,;4,-3.86,;5.07,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,2.77,;1.33,.77,;1.33,-3.85,;-0,-3.08,;-1.34,-3.84,;-1.34,-5.38,;-2.41,-6,;-.01,-6.16,;1.32,-5.39,)|
Show InChI InChI=1S/C18H23ClN4O/c1-22-11-17(21-12-22)18(24)23(16-7-5-15(20)6-8-16)10-13-3-2-4-14(19)9-13/h2-4,9,11-12,15-16H,5-8,10,20H2,1H3/t15-,16+
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 3.76E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dofetilide from human ERG expressed in HEK293 cells

Bioorg Med Chem Lett 20: 907-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))		BDBM50309961
PNG
(CHEMBL3217125 | N-((cis)-4-aminocyclohexyl)-N-(3-c...)
Show SMILES Cl.Cl.Cl.Cn1cnc(c1)C(=O)N(Cc1cccc(Cl)c1)[C@@H]1CC[C@H](N)CC1 |r,wU:20.18,23.22,(13.03,-2.95,;10.47,-2.95,;7.9,-2.95,;2.49,-8.74,;3.22,-7.74,;4.76,-7.75,;5.24,-6.29,;3.99,-5.4,;2.75,-6.28,;4,-3.86,;5.07,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,2.77,;1.33,.77,;1.33,-3.85,;-0,-3.08,;-1.34,-3.84,;-1.34,-5.38,;-2.41,-6,;-.01,-6.16,;1.32,-5.39,)|
Show InChI InChI=1S/C18H23ClN4O/c1-22-11-17(21-12-22)18(24)23(16-7-5-15(20)6-8-16)10-13-3-2-4-14(19)9-13/h2-4,9,11-12,15-16H,5-8,10,20H2,1H3/t15-,16+
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n/an/a 1.15E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 2-mediated glycine uptake expressed in HEK293 cells

Bioorg Med Chem Lett 20: 907-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50309961
PNG
(CHEMBL3217125 | N-((cis)-4-aminocyclohexyl)-N-(3-c...)
Show SMILES Cl.Cl.Cl.Cn1cnc(c1)C(=O)N(Cc1cccc(Cl)c1)[C@@H]1CC[C@H](N)CC1 |r,wU:20.18,23.22,(13.03,-2.95,;10.47,-2.95,;7.9,-2.95,;2.49,-8.74,;3.22,-7.74,;4.76,-7.75,;5.24,-6.29,;3.99,-5.4,;2.75,-6.28,;4,-3.86,;5.07,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,2.77,;1.33,.77,;1.33,-3.85,;-0,-3.08,;-1.34,-3.84,;-1.34,-5.38,;-2.41,-6,;-.01,-6.16,;1.32,-5.39,)|
Show InChI InChI=1S/C18H23ClN4O/c1-22-11-17(21-12-22)18(24)23(16-7-5-15(20)6-8-16)10-13-3-2-4-14(19)9-13/h2-4,9,11-12,15-16H,5-8,10,20H2,1H3/t15-,16+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4

Bioorg Med Chem Lett 20: 907-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50309961
PNG
(CHEMBL3217125 | N-((cis)-4-aminocyclohexyl)-N-(3-c...)
Show SMILES Cl.Cl.Cl.Cn1cnc(c1)C(=O)N(Cc1cccc(Cl)c1)[C@@H]1CC[C@H](N)CC1 |r,wU:20.18,23.22,(13.03,-2.95,;10.47,-2.95,;7.9,-2.95,;2.49,-8.74,;3.22,-7.74,;4.76,-7.75,;5.24,-6.29,;3.99,-5.4,;2.75,-6.28,;4,-3.86,;5.07,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,2.77,;1.33,.77,;1.33,-3.85,;-0,-3.08,;-1.34,-3.84,;-1.34,-5.38,;-2.41,-6,;-.01,-6.16,;1.32,-5.39,)|
Show InChI InChI=1S/C18H23ClN4O/c1-22-11-17(21-12-22)18(24)23(16-7-5-15(20)6-8-16)10-13-3-2-4-14(19)9-13/h2-4,9,11-12,15-16H,5-8,10,20H2,1H3/t15-,16+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6

Bioorg Med Chem Lett 20: 907-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50309961
PNG
(CHEMBL3217125 | N-((cis)-4-aminocyclohexyl)-N-(3-c...)
Show SMILES Cl.Cl.Cl.Cn1cnc(c1)C(=O)N(Cc1cccc(Cl)c1)[C@@H]1CC[C@H](N)CC1 |r,wU:20.18,23.22,(13.03,-2.95,;10.47,-2.95,;7.9,-2.95,;2.49,-8.74,;3.22,-7.74,;4.76,-7.75,;5.24,-6.29,;3.99,-5.4,;2.75,-6.28,;4,-3.86,;5.07,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,2.77,;1.33,.77,;1.33,-3.85,;-0,-3.08,;-1.34,-3.84,;-1.34,-5.38,;-2.41,-6,;-.01,-6.16,;1.32,-5.39,)|
Show InChI InChI=1S/C18H23ClN4O/c1-22-11-17(21-12-22)18(24)23(16-7-5-15(20)6-8-16)10-13-3-2-4-14(19)9-13/h2-4,9,11-12,15-16H,5-8,10,20H2,1H3/t15-,16+
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n/an/a 6.56E+4n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp study

Bioorg Med Chem Lett 20: 907-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5
More data for this
Ligand-Target Pair