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Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with all data for entry = 50018087   
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
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607682
PNG
(CHEMBL5220685)
Show SMILES COC(=O)[C@H]1COCCN1CCOc1ccccc1Cc1cn(nc1-c1cc(Cl)nc(N)n1)C(F)F |r|
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n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Rattus norvegicus)
BDBM50607676
PNG
(CHEMBL5218698)
Show SMILES Nc1nc(Cl)cc(n1)-c1nn(cc1Cc1ccccc1OCCN1CCOCC1)C(F)F
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607678
PNG
(CHEMBL5218878)
Show SMILES Nc1nc(Cl)cc(n1)-c1nn(cc1Cc1ccccc1OCCN1CCNC(=O)C1)C(F)F
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607681
PNG
(CHEMBL5218552)
Show SMILES COC(=O)[C@@H]1COCCN1CCOc1ccccc1Cc1cn(nc1-c1cc(Cl)nc(N)n1)C(F)F |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607679
PNG
(CHEMBL5218615)
Show SMILES Nc1nc(Cl)cc(n1)-c1nn(cc1Cc1ccccc1OCCN1CCS(=O)(=O)CC1)C(F)F
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Rattus norvegicus)
BDBM50607682
PNG
(CHEMBL5220685)
Show SMILES COC(=O)[C@H]1COCCN1CCOc1ccccc1Cc1cn(nc1-c1cc(Cl)nc(N)n1)C(F)F |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607686
PNG
(CHEMBL5219830)
Show SMILES Nc1nc(Cl)cc(n1)-c1nn(cc1Cc1ccccc1OCCN1CCOC[C@H]1CO)C(F)F |r|
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n/an/a 3.30n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607683
PNG
(CHEMBL5219579)
Show SMILES Nc1nc(Cl)cc(n1)-c1nn(cc1Cc1ccccc1OCCN1CCO[C@@H](CO)C1)C(F)F |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607676
PNG
(CHEMBL5218698)
Show SMILES Nc1nc(Cl)cc(n1)-c1nn(cc1Cc1ccccc1OCCN1CCOCC1)C(F)F
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607680
PNG
(CHEMBL5218702)
Show SMILES CC1(O)CCN(CCOc2ccccc2Cc2cn(nc2-c2cc(Cl)nc(N)n2)C(F)F)CC1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607685
PNG
(CHEMBL5220647)
Show SMILES Nc1nc(Cl)cc(n1)-c1nn(cc1Cc1ccccc1OCCN1CCOC[C@@H]1CO)C(F)F |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Rattus norvegicus)
BDBM50607686
PNG
(CHEMBL5219830)
Show SMILES Nc1nc(Cl)cc(n1)-c1nn(cc1Cc1ccccc1OCCN1CCOC[C@H]1CO)C(F)F |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenylate cyclase type 10


(Rattus norvegicus)
BDBM50607678
PNG
(CHEMBL5218878)
Show SMILES Nc1nc(Cl)cc(n1)-c1nn(cc1Cc1ccccc1OCCN1CCNC(=O)C1)C(F)F
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607684
PNG
(CHEMBL5219443)
Show SMILES Nc1nc(Cl)cc(n1)-c1nn(cc1Cc1ccccc1OCCN1CCO[C@H](CO)C1)C(F)F |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607673
PNG
(CHEMBL5220895)
Show SMILES Cn1cc(Cc2ccccc2OCCN2CC3CC(C2)O3)c(n1)-c1cc(Cl)nc(N)n1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607674
PNG
(CHEMBL5220347)
Show SMILES Cn1cc(Cc2ccccc2OCCN2CC3(COC3)C2)c(n1)-c1cc(Cl)nc(N)n1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Rattus norvegicus)
BDBM50607685
PNG
(CHEMBL5220647)
Show SMILES Nc1nc(Cl)cc(n1)-c1nn(cc1Cc1ccccc1OCCN1CCOC[C@@H]1CO)C(F)F |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607672
PNG
(CHEMBL5220723)
Show SMILES Cn1cc(Cc2ccccc2OCCN2CCOCC2)c(n1)-c1cc(Cl)nc(N)n1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Rattus norvegicus)
BDBM50607679
PNG
(CHEMBL5218615)
Show SMILES Nc1nc(Cl)cc(n1)-c1nn(cc1Cc1ccccc1OCCN1CCS(=O)(=O)CC1)C(F)F
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607675
PNG
(CHEMBL5219922)
Show SMILES Cn1cc(Cc2ccccc2OCCN2CCNC(=O)C2)c(n1)-c1cc(Cl)nc(N)n1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Rattus norvegicus)
BDBM50607680
PNG
(CHEMBL5218702)
Show SMILES CC1(O)CCN(CCOc2ccccc2Cc2cn(nc2-c2cc(Cl)nc(N)n2)C(F)F)CC1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Rattus norvegicus)
BDBM50607681
PNG
(CHEMBL5218552)
Show SMILES COC(=O)[C@@H]1COCCN1CCOc1ccccc1Cc1cn(nc1-c1cc(Cl)nc(N)n1)C(F)F |r|
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607667
PNG
(CHEMBL5219530)
Show SMILES COC(=O)c1ccccc1Cc1cn(C)nc1-c1cc(Cl)nc(N)n1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenylate cyclase type 10


(Rattus norvegicus)
BDBM50607684
PNG
(CHEMBL5219443)
Show SMILES Nc1nc(Cl)cc(n1)-c1nn(cc1Cc1ccccc1OCCN1CCO[C@H](CO)C1)C(F)F |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607677
PNG
(CHEMBL5220632)
Show SMILES Nc1nc(Cl)cc(n1)-c1nn(cc1Cc1ccccc1OCC(=O)N1CCOCC1)C(F)F
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Rattus norvegicus)
BDBM50607683
PNG
(CHEMBL5219579)
Show SMILES Nc1nc(Cl)cc(n1)-c1nn(cc1Cc1ccccc1OCCN1CCO[C@@H](CO)C1)C(F)F |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Rattus norvegicus)
BDBM50607677
PNG
(CHEMBL5220632)
Show SMILES Nc1nc(Cl)cc(n1)-c1nn(cc1Cc1ccccc1OCC(=O)N1CCOCC1)C(F)F
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607660
PNG
(CHEMBL5221008)
Show SMILES Cn1cc(Cc2ccccc2Cl)c(n1)-c1cc(Cl)nc(N)n1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607666
PNG
(CHEMBL5220075)
Show SMILES COc1ccccc1Cc1cn(C)nc1-c1cc(Cl)nc(N)n1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607671
PNG
(CHEMBL5221093)
Show SMILES Cn1cc(Cc2ccccc2Oc2ccccc2)c(n1)-c1cc(Cl)nc(N)n1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607662
PNG
(CHEMBL5219193)
Show SMILES Nc1nc(Cl)cc(n1)-c1nn2ccccc2c1Cc1ccccc1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50577242
PNG
(CHEMBL4854762)
Show SMILES Cc1c(Cc2ccccc2)c(nn1C)-c1cc(Cl)nc(N)n1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50577242
PNG
(CHEMBL4854762)
Show SMILES Cc1c(Cc2ccccc2)c(nn1C)-c1cc(Cl)nc(N)n1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50577235
PNG
(CHEMBL4867202)
Show SMILES COc1cccc(Cc2cn(C)nc2-c2cc(Cl)nc(N)n2)c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607664
PNG
(CHEMBL5219159)
Show SMILES Cn1cc(Cc2cccc(Cl)c2)c(n1)-c1cc(Cl)nc(N)n1
PDB

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n/an/a 389n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607669
PNG
(CHEMBL5219933)
Show SMILES COC(=O)c1cccc(Cc2cn(C)nc2-c2cc(Cl)nc(N)n2)c1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607661
PNG
(CHEMBL5220308)
Show SMILES Nc1nc(Cl)cc(n1)-c1nn(cc1Cc1ccccc1)C(F)(F)F
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607663
PNG
(CHEMBL5219011)
Show SMILES Nc1nc(Cl)cc(n1)-c1nc2ccccn2c1Cc1ccccc1
PDB

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n/an/a 716n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607659
PNG
(CHEMBL5218555)
Show SMILES Nc1nc(Cl)cc(n1)-c1nn(cc1Cc1ccccc1)C(F)F
PDB

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n/an/a 829n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50577237
PNG
(CHEMBL4874934)
Show SMILES Cn1cc(Cc2ccccc2)c(n1)-c1cc(Cl)nc(N)n1
PDB

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n/an/a 1.02E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607668
PNG
(CHEMBL5218712)
Show SMILES CNC(=O)c1ccccc1Cc1cn(C)nc1-c1cc(Cl)nc(N)n1
PDB

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n/an/a 1.25E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607670
PNG
(CHEMBL5219751)
Show SMILES CNC(=O)c1cccc(Cc2cn(C)nc2-c2cc(Cl)nc(N)n2)c1
PDB

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n/an/a 1.88E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607665
PNG
(CHEMBL5220138)
Show SMILES Cn1cc(Cc2ccc(Cl)cc2)c(n1)-c1cc(Cl)nc(N)n1
PDB

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n/an/a 2.58E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607680
PNG
(CHEMBL5218702)
Show SMILES CC1(O)CCN(CCOc2ccccc2Cc2cn(nc2-c2cc(Cl)nc(N)n2)C(F)F)CC1
PDB

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n/an/an/a 3.60n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607681
PNG
(CHEMBL5218552)
Show SMILES COC(=O)[C@@H]1COCCN1CCOc1ccccc1Cc1cn(nc1-c1cc(Cl)nc(N)n1)C(F)F |r|
PDB

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n/an/an/a 2.5n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607682
PNG
(CHEMBL5220685)
Show SMILES COC(=O)[C@H]1COCCN1CCOc1ccccc1Cc1cn(nc1-c1cc(Cl)nc(N)n1)C(F)F |r|
PDB

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n/an/an/a 1.70n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607683
PNG
(CHEMBL5219579)
Show SMILES Nc1nc(Cl)cc(n1)-c1nn(cc1Cc1ccccc1OCCN1CCO[C@@H](CO)C1)C(F)F |r|
PDB

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n/an/an/a 1.10n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607684
PNG
(CHEMBL5219443)
Show SMILES Nc1nc(Cl)cc(n1)-c1nn(cc1Cc1ccccc1OCCN1CCO[C@H](CO)C1)C(F)F |r|
PDB

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n/an/an/a 3.70n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607685
PNG
(CHEMBL5220647)
Show SMILES Nc1nc(Cl)cc(n1)-c1nn(cc1Cc1ccccc1OCCN1CCOC[C@@H]1CO)C(F)F |r|
PDB

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n/an/an/a 2.30n/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
Adenylate cyclase type 10


(Homo sapiens (Human))
BDBM50607686
PNG
(CHEMBL5219830)
Show SMILES Nc1nc(Cl)cc(n1)-c1nn(cc1Cc1ccccc1OCCN1CCOC[C@H]1CO)C(F)F |r|
PDB

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MCE
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n/an/an/a 1.40n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01133
BindingDB Entry DOI: 10.7270/Q2057M2B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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