new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 492 hits with Last Name = 'beck' and Initial = 'jp'   
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
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074509
PNG
(CHEMBL354886 | [3-(2,4-Dibromo-phenyl)-5-methyl-3H...)
Show SMILES CCCC(CCC)Nc1nc(C)nc2n(nnc12)-c1ccc(Br)cc1Br
Show InChI InChI=1S/C18H22Br2N6/c1-4-6-13(7-5-2)23-17-16-18(22-11(3)21-17)26(25-24-16)15-9-8-12(19)10-14(15)20/h8-10,13H,4-7H2,1-3H3,(H,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074501
PNG
(Butyl-ethyl-[2,5,6-trimethyl-7-(2,4,6-trimethyl-ph...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(C)c(C)c12)-c1c(C)cc(C)cc1C |(4.9,1.82,;3.57,2.56,;2.24,1.79,;.91,2.55,;-.44,1.78,;-1.76,2.55,;-3.1,1.78,;-.42,.25,;-1.75,-.52,;-1.75,-2.06,;-3.08,-2.83,;-.42,-2.83,;.91,-2.06,;2.38,-2.54,;3.31,-1.29,;4.85,-1.29,;2.38,-.03,;2.86,1.43,;.91,-.52,;2.86,-4.02,;4.37,-4.33,;5.39,-3.17,;4.85,-5.78,;3.82,-6.93,;4.31,-8.4,;2.32,-6.61,;1.84,-5.14,;.33,-4.82,)|
Show InChI InChI=1S/C24H34N4/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5/h13-14H,9-12H2,1-8H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.840n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074492
PNG
(CHEMBL168554 | [9-(2-Bromo-4-isopropyl-phenyl)-2,8...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(C)nc12)-c1ccc(cc1Br)C(C)C |(12.64,1.78,;12.64,.23,;11.31,-.54,;11.31,-2.08,;9.99,-2.85,;8.64,-2.08,;7.32,-2.85,;9.99,-4.38,;8.64,-5.15,;8.64,-6.69,;7.31,-7.46,;9.99,-7.46,;11.31,-6.69,;12.76,-7.15,;13.67,-5.92,;15.21,-5.94,;12.76,-4.68,;11.31,-5.15,;13.39,-8.57,;12.49,-9.81,;13.11,-11.22,;14.65,-11.38,;15.56,-10.13,;14.93,-8.73,;15.84,-7.48,;15.27,-12.8,;16.79,-12.97,;14.35,-14.04,)|
Show InChI InChI=1S/C22H30BrN5/c1-7-9-12-27(8-2)21-20-22(25-15(5)24-21)28(16(6)26-20)19-11-10-17(14(3)4)13-18(19)23/h10-11,13-14H,7-9,12H2,1-6H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.900n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM170440
PNG
(US9085531, 40)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccccc2C1
Show InChI InChI=1/C18H17NS/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.20n/an/an/an/an/an/a7.4n/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM170440
PNG
(US9085531, 40)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccccc2C1
Show InChI InChI=1/C18H17NS/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.20n/an/an/an/an/an/a7.4n/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074465
PNG
(CHEMBL354982 | [9-(2-Bromo-4-isopropyl-phenyl)-2-m...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(nc12)C(F)(F)F)-c1ccc(cc1Br)C(C)C |(12.23,1.79,;12.23,.23,;10.9,-.54,;10.9,-2.08,;9.57,-2.85,;8.22,-2.08,;6.89,-2.85,;9.57,-4.39,;8.22,-5.16,;8.22,-6.7,;6.88,-7.47,;9.57,-7.47,;10.9,-6.7,;12.35,-7.17,;13.26,-5.93,;12.35,-4.69,;10.9,-5.16,;14.8,-5.95,;16.34,-5.96,;14.79,-7.47,;14.8,-4.41,;12.68,-8.68,;11.55,-9.71,;11.88,-11.21,;13.33,-11.69,;14.47,-10.65,;14.15,-9.15,;15.41,-8.29,;13.66,-13.21,;12.51,-14.24,;15.13,-13.7,)|
Show InChI InChI=1S/C22H27BrF3N5/c1-6-8-11-30(7-2)19-18-20(28-14(5)27-19)31(21(29-18)22(24,25)26)17-10-9-15(13(3)4)12-16(17)23/h9-10,12-13H,6-8,11H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM170452
PNG
(US9085531, 97)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(cc2C1)-c1cccnn1
Show InChI InChI=1/C22H19N3S/c1-25-13-18-12-16(21-3-2-9-23-24-21)4-6-19(18)20(14-25)15-5-7-22-17(11-15)8-10-26-22/h2-12,20H,13-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.40n/an/an/an/an/an/a7.4n/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074500
PNG
(3-(2-Bromo-4-isopropyl-phenyl)-7-(1-ethyl-pentylox...)
Show SMILES CCCCC(CC)Oc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C21H28BrN5O/c1-6-8-9-16(7-2)28-21-19-20(23-14(5)24-21)27(26-25-19)18-11-10-15(13(3)4)12-17(18)22/h10-13,16H,6-9H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076602
PNG
(CHEMBL368772 | [9-(2-Bromo-4-isopropyl-phenyl)-8-c...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(Cl)nc12)-c1ccc(cc1Br)C(C)C |(-1.35,.74,;-1.35,-.8,;.01,-1.57,;.01,-3.11,;1.36,-3.87,;2.69,-3.1,;2.69,-1.56,;1.36,-5.41,;.03,-6.18,;.03,-7.73,;-1.3,-8.5,;1.36,-8.5,;2.71,-7.71,;4.18,-8.17,;5.07,-6.94,;6.61,-6.93,;4.16,-5.69,;2.69,-6.18,;4.65,-9.64,;3.62,-10.79,;4.11,-12.26,;5.63,-12.56,;6.66,-11.41,;6.17,-9.94,;7.26,-8.85,;6.1,-14.02,;5.09,-15.17,;7.61,-14.33,)|
Show InChI InChI=1S/C21H27BrClN5/c1-6-8-11-27(7-2)19-18-20(25-14(5)24-19)28(21(23)26-18)17-10-9-15(13(3)4)12-16(17)22/h9-10,12-13H,6-8,11H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076613
PNG
(CHEMBL367253 | [9-(2-Bromo-4-isopropyl-phenyl)-8-m...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(OC)nc12)-c1ccc(cc1Br)C(C)C |(5.24,-4.86,;5.24,-6.4,;6.57,-7.17,;6.59,-8.71,;7.92,-9.48,;9.28,-8.71,;9.25,-7.17,;7.95,-11.02,;6.61,-11.79,;6.61,-13.33,;5.26,-14.1,;7.95,-14.1,;9.28,-13.33,;10.75,-13.8,;11.66,-12.54,;13.2,-12.54,;13.74,-13.32,;10.75,-11.3,;9.28,-11.79,;11.24,-15.24,;10.21,-16.39,;10.7,-17.86,;12.21,-18.16,;13.24,-17.02,;12.75,-15.55,;13.83,-14.45,;12.7,-19.63,;11.67,-20.78,;14.2,-19.94,)|
Show InChI InChI=1S/C22H30BrN5O/c1-7-9-12-27(8-2)20-19-21(25-15(5)24-20)28(22(26-19)29-6)18-11-10-16(14(3)4)13-17(18)23/h10-11,13-14H,7-9,12H2,1-6H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50058163
PNG
(Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)|
Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.61n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074470
PNG
(3-(2-Bromo-4-isopropyl-phenyl)-7-(1-ethyl-propoxy)...)
Show SMILES CCC(CC)Oc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C19H24BrN5O/c1-6-14(7-2)26-19-17-18(21-12(5)22-19)25(24-23-17)16-9-8-13(11(3)4)10-15(16)20/h8-11,14H,6-7H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.90n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074482
PNG
(3-(2-Bromo-4-isopropyl-phenyl)-7-(1-methoxymethyl-...)
Show SMILES CCC(COC)Oc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C19H24BrN5O2/c1-6-14(10-26-5)27-19-17-18(21-12(4)22-19)25(24-23-17)16-8-7-13(11(2)3)9-15(16)20/h7-9,11,14H,6,10H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.90n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM170442
PNG
(US9085531, 19)
Show SMILES CN1CC(c2ccccc2C1)c1cccc2ccoc12
Show InChI InChI=1/C18H17NO/c1-19-11-14-5-2-3-7-15(14)17(12-19)16-8-4-6-13-9-10-20-18(13)16/h2-10,17H,11-12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2n/an/an/an/an/an/a7.4n/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM170444
PNG
(US9085531, 14)
Show SMILES CN1CC(c2ccc3occc3c2)c2ccccc2C1
Show InChI InChI=1/C18H17NO/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2n/an/an/an/an/an/a7.4n/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074349
PNG
((2-Bromo-4-isopropyl-phenyl)-ethyl-[4-(1-ethyl-pro...)
Show SMILES CCC(CC)c1cc(C)nc(n1)N(CC)c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C21H30BrN3/c1-7-16(8-2)19-12-15(6)23-21(24-19)25(9-3)20-11-10-17(14(4)5)13-18(20)22/h10-14,16H,7-9H2,1-6H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant corticotropin releasing factor receptor 1


J Med Chem 42: 805-18 (1999)


Article DOI: 10.1021/jm980222w
BindingDB Entry DOI: 10.7270/Q29S1Q63
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM170447
PNG
(US9085531, 70)
Show SMILES CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)-c1cccnn1
Show InChI InChI=1/C22H19N3S/c1-25-13-17-11-15(20-6-4-10-23-24-20)8-9-18(17)19(14-25)22-12-16-5-2-3-7-21(16)26-22/h2-12,19H,13-14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.20n/an/an/an/an/an/a7.4n/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM170452
PNG
(US9085531, 97)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccc(cc2C1)-c1cccnn1
Show InChI InChI=1/C22H19N3S/c1-25-13-18-12-16(21-3-2-9-23-24-21)4-6-19(18)20(14-25)15-5-7-22-17(11-15)8-10-26-22/h2-12,20H,13-14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.20n/an/an/an/an/an/a7.4n/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074468
PNG
(Butyl-ethyl-[3-(4-isopropyl-2-methylsulfanyl-pheny...)
Show SMILES CCCCN(CC)c1cc(C)nc2n(nnc12)-c1ccc(cc1SC)C(C)C
Show InChI InChI=1S/C22H31N5S/c1-7-9-12-26(8-2)19-13-16(5)23-22-21(19)24-25-27(22)18-11-10-17(15(3)4)14-20(18)28-6/h10-11,13-15H,7-9,12H2,1-6H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.20n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM170455
PNG
(US9085531, 117)
Show SMILES CN1CC(c2cc3ccccc3o2)c2ccc(cc2C1)-c1cccnn1
Show InChI InChI=1/C22H19N3O/c1-25-13-17-11-15(20-6-4-10-23-24-20)8-9-18(17)19(14-25)22-12-16-5-2-3-7-21(16)26-22/h2-12,19H,13-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.40n/an/an/an/an/an/a7.4n/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM60509
PNG
(US9085531, 125)
Show SMILES CN1Cc2ccccc2C(C1Cl)c1ccc2[nH]ncc2c1
Show InChI InChI=1/C17H16ClN3/c1-21-10-12-4-2-3-5-14(12)16(17(21)18)11-6-7-15-13(8-11)9-19-20-15/h2-9,16-17H,10H2,1H3,(H,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.60n/an/an/an/an/an/a7.4n/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074474
PNG
(CHEMBL166669 | [3-(2-Bromo-4-isopropyl-phenyl)-5-m...)
Show SMILES CCCC(CC)Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C20H27BrN6/c1-6-8-15(7-2)24-19-18-20(23-13(5)22-19)27(26-25-18)17-10-9-14(12(3)4)11-16(17)21/h9-12,15H,6-8H2,1-5H3,(H,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.80n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074459
PNG
(9-(2-Bromo-4-isopropyl-phenyl)-6-(1-ethyl-pentylox...)
Show SMILES CCCCC(CC)Oc1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C22H29BrN4O/c1-6-8-9-17(7-2)28-22-20-21(25-15(5)26-22)27(13-24-20)19-11-10-16(14(3)4)12-18(19)23/h10-14,17H,6-9H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.90n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM170454
PNG
(US9085531, 102)
Show SMILES CN(C)Cc1ccc2C(CN(C)Cc2c1)c1ccc2sccc2c1
Show InChI InChI=1/C21H24N2S/c1-22(2)12-15-4-6-19-18(10-15)13-23(3)14-20(19)16-5-7-21-17(11-16)8-9-24-21/h4-11,20H,12-14H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<3n/an/an/an/an/an/a7.4n/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074354
PNG
(CHEMBL168131 | N,N-Diallyl-N'-(2-bromo-4-dimethyla...)
Show SMILES CCN(c1nc(C)nc(n1)N(CC=C)CC=C)c1ccc(cc1Br)N(C)C
Show InChI InChI=1S/C20H27BrN6/c1-7-12-26(13-8-2)19-22-15(4)23-20(24-19)27(9-3)18-11-10-16(25(5)6)14-17(18)21/h7-8,10-11,14H,1-2,9,12-13H2,3-6H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant corticotropin releasing factor receptor 1


J Med Chem 42: 805-18 (1999)


Article DOI: 10.1021/jm980222w
BindingDB Entry DOI: 10.7270/Q29S1Q63
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM60513
PNG
(US9085531, 137)
Show SMILES CN1CC(c2ccc3ccccc3c2)c2ccc(cc2C1)-c1cccnn1
Show InChI InChI=1/C24H21N3/c1-27-15-21-14-20(24-7-4-12-25-26-24)10-11-22(21)23(16-27)19-9-8-17-5-2-3-6-18(17)13-19/h2-14,23H,15-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<3n/an/an/an/an/an/a7.4n/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074458
PNG
(CHEMBL9633 | [3-(2-Bromo-4,6-dimethoxy-phenyl)-5-m...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(nnc12)-c1c(Br)cc(OC)cc1OC |(13.26,-.73,;11.93,.04,;10.59,-.73,;9.26,.02,;7.91,-.75,;6.58,.02,;5.24,-.76,;7.92,-2.29,;6.59,-3.06,;6.59,-4.61,;5.24,-5.38,;7.92,-5.38,;9.26,-4.6,;10.73,-5.08,;11.64,-3.83,;10.73,-2.58,;9.26,-3.06,;11.2,-6.55,;12.7,-6.86,;13.73,-5.71,;13.19,-8.31,;12.16,-9.47,;12.63,-10.95,;11.6,-12.09,;10.64,-9.15,;10.17,-7.69,;8.66,-7.37,;7.63,-8.52,)|
Show InChI InChI=1S/C19H25BrN6O2/c1-6-8-9-25(7-2)18-16-19(22-12(3)21-18)26(24-23-16)17-14(20)10-13(27-4)11-15(17)28-5/h10-11H,6-9H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50076608
PNG
(7-(Butyl-ethyl-amino)-1,5-dimethyl-3-phenyl-1,3-di...)
Show SMILES CCCCN(CC)c1cc(C)nc2n(-c3ccc(cc3Br)C(C)C)c(=O)n(C)c12 |(-6.64,.67,;-6.63,-.87,;-5.3,-1.64,;-5.29,-3.18,;-3.94,-3.95,;-2.61,-3.18,;-2.61,-1.64,;-3.94,-5.49,;-5.27,-6.26,;-5.27,-7.8,;-6.6,-8.57,;-3.94,-8.57,;-2.59,-7.8,;-1.12,-8.27,;-.65,-9.71,;-1.67,-10.86,;-1.18,-12.33,;.33,-12.63,;1.36,-11.49,;.87,-10.02,;1.96,-8.92,;.82,-14.1,;2.33,-14.4,;-.2,-15.24,;-.21,-7.01,;1.33,-7.01,;-1.14,-5.77,;-.67,-4.3,;-2.59,-6.26,)|
Show InChI InChI=1S/C23H31BrN4O/c1-7-9-12-27(8-2)20-13-16(5)25-22-21(20)26(6)23(29)28(22)19-11-10-17(15(3)4)14-18(19)24/h10-11,13-15H,7-9,12H2,1-6H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for transfected human Corticotropin releasing factor receptor expressed in HEK 293E cells using [125I]-TYR-oCRH as the displaced rad...


Bioorg Med Chem Lett 9: 967-72 (1999)


BindingDB Entry DOI: 10.7270/Q26H4GKK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074452
PNG
(CHEMBL169952 | [3-(2-Bromo-4-isopropyl-phenyl)-5-m...)
Show SMILES CCCCC(CC)Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C21H29BrN6/c1-6-8-9-16(7-2)25-20-19-21(24-14(5)23-20)28(27-26-19)18-11-10-15(13(3)4)12-17(18)22/h10-13,16H,6-9H2,1-5H3,(H,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.10n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074453
PNG
(CHEMBL171202 | [3-(2-Bromo-4-isopropyl-phenyl)-5-m...)
Show SMILES CCCCN(CC)c1cc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C21H28BrN5/c1-6-8-11-26(7-2)19-12-15(5)23-21-20(19)24-25-27(21)18-10-9-16(14(3)4)13-17(18)22/h9-10,12-14H,6-8,11H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.20n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM170449
PNG
(US9085531, 78)
Show SMILES CN1CC(c2cc3ccccc3s2)c2ccc(CN3CCOCC3)cc2C1
Show InChI InChI=1/C23H26N2OS/c1-24-15-19-12-17(14-25-8-10-26-11-9-25)6-7-20(19)21(16-24)23-13-18-4-2-3-5-22(18)27-23/h2-7,12-13,21H,8-11,14-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.30n/an/an/an/an/an/a7.4n/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM60503
PNG
(US9085531, 56)
Show SMILES CN1CC(c2ccc3ccccc3c2)c2c(C)cccc2C1
Show InChI InChI=1/C21H21N/c1-15-6-5-9-19-13-22(2)14-20(21(15)19)18-11-10-16-7-3-4-8-17(16)12-18/h3-12,20H,13-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.40n/an/an/an/an/an/a7.4n/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM170454
PNG
(US9085531, 102)
Show SMILES CN(C)Cc1ccc2C(CN(C)Cc2c1)c1ccc2sccc2c1
Show InChI InChI=1/C21H24N2S/c1-22(2)12-15-4-6-19-18(10-15)13-23(3)14-20(19)16-5-7-21-17(11-16)8-9-24-21/h4-11,20H,12-14H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.40n/an/an/an/an/an/a7.4n/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074522
PNG
(CHEMBL354940 | [9-(2-Bromo-4,6-dimethoxy-phenyl)-2...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(cnc12)-c1c(Br)cc(OC)cc1OC |(15.36,-2.57,;14.02,-1.8,;12.68,-2.57,;11.35,-1.8,;10.02,-2.57,;8.68,-1.8,;8.68,-.24,;10.02,-4.11,;8.68,-4.88,;8.68,-6.42,;7.33,-7.19,;10.02,-7.19,;11.35,-6.42,;12.81,-6.89,;13.7,-5.63,;12.81,-4.39,;11.35,-4.88,;13.14,-8.38,;14.59,-8.87,;15.73,-7.82,;14.92,-10.37,;13.79,-11.39,;14.12,-12.91,;13,-13.96,;12.32,-10.93,;11.99,-9.43,;10.52,-8.96,;9.38,-9.99,)|
Show InChI InChI=1S/C20H26BrN5O2/c1-6-8-9-25(7-2)19-17-20(24-13(3)23-19)26(12-22-17)18-15(21)10-14(27-4)11-16(18)28-5/h10-12H,6-9H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074542
PNG
(9-(2-Bromo-4-isopropyl-phenyl)-6-(1-ethyl-propoxy)...)
Show SMILES CCC(CC)Oc1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C20H25BrN4O/c1-6-15(7-2)26-20-18-19(23-13(5)24-20)25(11-22-18)17-9-8-14(12(3)4)10-16(17)21/h8-12,15H,6-7H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074496
PNG
(Butyl-[9-(2-chloro-4,6-dimethoxy-phenyl)-2,8-dimet...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(c(C)nc12)-c1c(Cl)cc(OC)cc1OC |(12.72,1.93,;12.72,.39,;11.39,-.38,;11.39,-1.94,;10.06,-2.71,;8.73,-1.94,;7.38,-2.71,;10.06,-4.25,;8.73,-5.02,;8.73,-6.56,;7.38,-7.33,;10.06,-7.33,;11.39,-6.56,;12.86,-7.03,;13.75,-5.79,;15.29,-5.79,;12.86,-4.53,;11.39,-5.02,;13.49,-8.43,;15.01,-8.59,;15.92,-7.35,;15.64,-10.01,;14.73,-11.25,;15.36,-12.68,;16.9,-12.86,;13.21,-11.09,;12.58,-9.69,;11.04,-9.53,;10.13,-10.79,)|
Show InChI InChI=1S/C21H28ClN5O2/c1-7-9-10-26(8-2)20-18-21(24-13(3)23-20)27(14(4)25-18)19-16(22)11-15(28-5)12-17(19)29-6/h11-12H,7-10H2,1-6H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074546
PNG
(CHEMBL169430 | [9-(2-Bromo-4-isopropyl-phenyl)-2-m...)
Show SMILES CCCC(CCC)Nc1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C22H30BrN5/c1-6-8-17(9-7-2)27-21-20-22(26-15(5)25-21)28(13-24-20)19-11-10-16(14(3)4)12-18(19)23/h10-14,17H,6-9H2,1-5H3,(H,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.60n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074456
PNG
(CHEMBL10504 | SC241 | [3-(2-Bromo-4-isopropyl-phen...)
Show SMILES COCCN(CCOC)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C20H27BrN6O2/c1-13(2)15-6-7-17(16(21)12-15)27-20-18(24-25-27)19(22-14(3)23-20)26(8-10-28-4)9-11-29-5/h6-7,12-13H,8-11H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.70n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM170440
PNG
(US9085531, 40)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccccc2C1
Show InChI InChI=1/C18H17NS/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.80n/an/an/an/an/an/a7.4n/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM170440
PNG
(US9085531, 40)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccccc2C1
Show InChI InChI=1/C18H17NS/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.80n/an/an/an/an/an/a7.4n/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM170446
PNG
(US9085531, 49)
Show SMILES CN1CC(c2ccc3[nH]ccc3c2)c2ccccc2C1
Show InChI InChI=1/C18H18N2/c1-20-11-15-4-2-3-5-16(15)17(12-20)13-6-7-18-14(10-13)8-9-19-18/h2-10,17,19H,11-12H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.80n/an/an/an/an/an/a7.4n/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074495
PNG
(CHEMBL355049 | [3-(2-Bromo-4-isopropyl-phenyl)-2,5...)
Show SMILES CCCCN(CC)c1cc(C)nc2n(c(C)nc12)-c1ccc(cc1Br)C(C)C |(12.66,1.93,;12.66,.37,;11.33,-.4,;11.33,-1.94,;10,-2.71,;8.67,-1.94,;7.32,-2.71,;10,-4.25,;8.67,-5.02,;8.67,-6.55,;7.32,-7.34,;10,-7.32,;11.33,-6.55,;12.79,-7.02,;13.68,-5.79,;15.22,-5.8,;12.79,-4.54,;11.33,-5.02,;13.42,-8.43,;12.51,-9.68,;13.14,-11.09,;14.66,-11.25,;15.57,-10,;14.94,-8.6,;15.85,-7.35,;15.29,-12.67,;16.82,-12.85,;14.38,-13.92,)|
Show InChI InChI=1S/C23H31BrN4/c1-7-9-12-27(8-2)21-13-16(5)25-23-22(21)26-17(6)28(23)20-11-10-18(15(3)4)14-19(20)24/h10-11,13-15H,7-9,12H2,1-6H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.90n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
Reactome pathway

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
3.90n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of rat NET


Bioorg Med Chem Lett 22: 7219-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.050
BindingDB Entry DOI: 10.7270/Q20K29QC
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM170440
PNG
(US9085531, 40)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccccc2C1
Show InChI InChI=1/C18H17NS/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
4n/an/an/an/an/an/a7.4n/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074391
PNG
(CHEMBL424555 | N,N-Diallyl-N'-(2-bromo-4-isopropyl...)
Show SMILES CCN(c1nc(C)nc(n1)N(CC=C)CC=C)c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C21H28BrN5/c1-7-12-26(13-8-2)20-23-16(6)24-21(25-20)27(9-3)19-11-10-17(15(4)5)14-18(19)22/h7-8,10-11,14-15H,1-2,9,12-13H2,3-6H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant corticotropin releasing factor receptor 1


J Med Chem 42: 805-18 (1999)


Article DOI: 10.1021/jm980222w
BindingDB Entry DOI: 10.7270/Q29S1Q63
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074404
PNG
(CHEMBL168844 | N-(2-Bromo-4-isopropyl-phenyl)-N-et...)
Show SMILES CCCN(CCC)c1nc(C)nc(n1)N(CC)c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C21H32BrN5/c1-7-12-26(13-8-2)20-23-16(6)24-21(25-20)27(9-3)19-11-10-17(15(4)5)14-18(19)22/h10-11,14-15H,7-9,12-13H2,1-6H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant corticotropin releasing factor receptor 1


J Med Chem 42: 805-18 (1999)


Article DOI: 10.1021/jm980222w
BindingDB Entry DOI: 10.7270/Q29S1Q63
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074332
PNG
(CHEMBL167463 | N,N-Diallyl-N'-(2-bromo-4-trifluoro...)
Show SMILES CCN(c1nc(C)nc(n1)N(CC=C)CC=C)c1ccc(OC(F)(F)F)cc1Br
Show InChI InChI=1S/C19H21BrF3N5O/c1-5-10-27(11-6-2)17-24-13(4)25-18(26-17)28(7-3)16-9-8-14(12-15(16)20)29-19(21,22)23/h5-6,8-9,12H,1-2,7,10-11H2,3-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant corticotropin releasing factor receptor 1


J Med Chem 42: 805-18 (1999)


Article DOI: 10.1021/jm980222w
BindingDB Entry DOI: 10.7270/Q29S1Q63
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50074525
PNG
(CHEMBL355689 | [5-Methyl-3-(2,4,6-trimethyl-phenyl...)
Show SMILES CCCC(CCC)Nc1nc(C)nc2n(nnc12)-c1c(C)cc(C)cc1C |(7.49,-7.24,;8.82,-6.47,;8.82,-4.93,;10.15,-4.16,;10.15,-2.61,;8.82,-1.84,;8.82,-.29,;11.49,-4.93,;11.49,-6.47,;10.15,-7.24,;10.15,-8.78,;8.8,-9.55,;11.49,-9.55,;12.82,-8.78,;14.28,-9.25,;15.17,-8,;14.28,-6.77,;12.82,-7.24,;14.61,-10.76,;16.06,-11.23,;17.2,-10.2,;16.39,-12.72,;15.26,-13.77,;15.59,-15.27,;13.79,-13.28,;13.46,-11.79,;11.99,-11.32,)|
Show InChI InChI=1S/C21H30N6/c1-7-9-17(10-8-2)24-20-18-21(23-16(6)22-20)27(26-25-18)19-14(4)11-13(3)12-15(19)5/h11-12,17H,7-10H2,1-6H3,(H,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human Corticotropin releasing factor receptor 1 (hCRF1) expressed in 293EBNA cells


J Med Chem 42: 833-48 (1999)


Article DOI: 10.1021/jm980224g
BindingDB Entry DOI: 10.7270/Q2610ZGP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM170440
PNG
(US9085531, 40)
Show SMILES CN1CC(c2ccc3sccc3c2)c2ccccc2C1
Show InChI InChI=1/C18H17NS/c1-19-11-15-4-2-3-5-16(15)17(12-19)13-6-7-18-14(10-13)8-9-20-18/h2-10,17H,11-12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
4n/an/an/an/an/an/a7.4n/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM60513
PNG
(US9085531, 137)
Show SMILES CN1CC(c2ccc3ccccc3c2)c2ccc(cc2C1)-c1cccnn1
Show InChI InChI=1/C24H21N3/c1-27-15-21-14-20(24-7-4-12-25-26-24)10-11-22(21)23(16-27)19-9-8-17-5-2-3-6-18(17)13-19/h2-14,23H,15-16H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
4.10n/an/an/an/an/an/a7.4n/a



Albany Molecular Research, Inc.; Bristol-Myers Squibb Company

US Patent


Assay Description
In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express ...


US Patent US9085531 (2015)


BindingDB Entry DOI: 10.7270/Q24X56JQ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 492 total )  |  Next  |  Last  >>
Jump to: