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BDBM50170191 CHEMBL182150::N-((cis)-4-(4-(dimethylamino)quinazolin-2-ylamino)cyclohexyl)-3,4-difluorobenzamide::N-[4-(4-Dimethylamino-quinazolin-2-ylamino)-cyclohexyl]-3,4-difluoro-benzamide

SMILES: CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12

InChI Key: InChIKey=FAIMGWSOSCFGRU-IYBDPMFKSA-N

Data: 10 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 10 hits for monomerid = 50170191   
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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50170191
PNG
(CHEMBL182150 | N-((cis)-4-(4-(dimethylamino)quinaz...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12
Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+
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n/an/a 7.20n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at CART form of human MCH1 receptor expressed in HEK293 cells coexpressing Galphaq assessed as inhibition of MCH-induced intracel...


Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50170191
PNG
(CHEMBL182150 | N-((cis)-4-(4-(dimethylamino)quinaz...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12
Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+
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n/an/a 150n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolsine from human 5HT2B receptor


Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50170191
PNG
(CHEMBL182150 | N-((cis)-4-(4-(dimethylamino)quinaz...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12
Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+
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n/an/a 104n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]MK-912 from human adrenergic alpha2A receptor


Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50170191
PNG
(CHEMBL182150 | N-((cis)-4-(4-(dimethylamino)quinaz...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12
Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+
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n/an/a 300n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor


Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50170191
PNG
(CHEMBL182150 | N-((cis)-4-(4-(dimethylamino)quinaz...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12
Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+
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n/an/a 260n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-2A adrenergic receptor by using [3H]MK-912 as radioligand expressed in COS-1 cells


Bioorg Med Chem Lett 15: 3853-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.121
BindingDB Entry DOI: 10.7270/Q23R0TM4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50170191
PNG
(CHEMBL182150 | N-((cis)-4-(4-(dimethylamino)quinaz...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12
Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+
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n/an/a 9.66n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]LSD from human 5HT2B receptor


Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50170191
PNG
(CHEMBL182150 | N-((cis)-4-(4-(dimethylamino)quinaz...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12
Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+
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n/an/a 16.9n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human 5HT1A


Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50170191
PNG
(CHEMBL182150 | N-((cis)-4-(4-(dimethylamino)quinaz...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12
Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+
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n/an/a 3.40n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human CA-MCH-R1 (Melanin-concentrating hormone receptor 1) by using [125I](Phe13,Tyr19)MCH as radioligand expressed in HE...


Bioorg Med Chem Lett 15: 3853-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.121
BindingDB Entry DOI: 10.7270/Q23R0TM4
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5)


(Homo sapiens (Human))
BDBM50170191
PNG
(CHEMBL182150 | N-((cis)-4-(4-(dimethylamino)quinaz...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12
Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+
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n/an/a 2.70E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against neuropeptide Y receptor type 5 by using [125I]PYY as radioligand expressed in COS-1 cells


Bioorg Med Chem Lett 15: 3853-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.121
BindingDB Entry DOI: 10.7270/Q23R0TM4
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50170191
PNG
(CHEMBL182150 | N-((cis)-4-(4-(dimethylamino)quinaz...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12
Show InChI InChI=1S/C23H25F2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+
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n/an/a 150n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor


Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair