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Compile Data Set for Download or QSAR

Found 602 hits with Last Name = 'krenitsky' and Initial = 'p'   
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
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50077906
PNG
(CHEMBL3305901)
Show SMILES CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F
Show InChI InChI=1S/C24H34F3N3O3/c1-15(2)23(7-4-18(11-23)29-20-6-9-33-14-21(20)32-3)22(31)30-8-5-19-16(13-30)10-17(12-28-19)24(25,26)27/h10,12,15,18,20-21,29H,4-9,11,13-14H2,1-3H3/t18-,20+,21-,23+/m1/s1
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 0.550n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry

Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
More data for this
Ligand-Target Pair
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)
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 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
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 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
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 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
Corticotropin-releasing factor receptor 1


(Rattus norvegicus (rat))		BDBM50074439
PNG
(1-(2-Bromo-4,6-dimethoxy-phenyl)-4,6-dimethyl-1H-p...)
Show SMILES COc1cc(Br)c(c(OC)c1)-n1ccc2c(C)cc(C)nc12 |(12.47,-15.06,;10.97,-14.75,;10.48,-13.3,;11.5,-12.14,;11.01,-10.69,;12.02,-9.53,;9.5,-10.37,;8.48,-11.53,;6.98,-11.21,;5.96,-12.35,;8.97,-12.98,;9.03,-8.92,;9.92,-7.66,;9.01,-6.42,;7.54,-6.91,;6.21,-6.14,;6.21,-4.6,;4.88,-6.91,;4.88,-8.45,;3.55,-9.22,;6.21,-9.22,;7.56,-8.45,)|
Show InChI InChI=1S/C17H17BrN2O2/c1-10-7-11(2)19-17-13(10)5-6-20(17)16-14(18)8-12(21-3)9-15(16)22-4/h5-9H,1-4H3
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 1n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity was determined against corticotropin releasing factor receptor 1

J Med Chem 42: 819-32 (1999)


Article DOI: 10.1021/jm980223o
BindingDB Entry DOI: 10.7270/Q22V2GT5
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50077924
PNG
(CHEMBL3417124)
Show SMILES COc1cc2CCC(N[C@@H]3CC[C@](C3)(C(C)C)C(=O)N3CCc4ccc(cc4C3)C(F)(F)F)c2cc1OC |r|
Show InChI InChI=1S/C30H37F3N2O3/c1-18(2)29(28(36)35-12-10-19-5-7-22(30(31,32)33)13-21(19)17-35)11-9-23(16-29)34-25-8-6-20-14-26(37-3)27(38-4)15-24(20)25/h5,7,13-15,18,23,25,34H,6,8-12,16-17H2,1-4H3/t23-,25?,29+/m1/s1
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 1.20n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry

Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
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
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 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
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
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 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
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50077980
PNG
(CHEMBL3417117)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(Cl)ccc12)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F |r|
Show InChI InChI=1S/C28H32ClF3N2O/c1-17(2)27(11-9-23(15-27)33-25-8-4-19-14-22(29)6-7-24(19)25)26(35)34-12-10-18-3-5-21(28(30,31)32)13-20(18)16-34/h3,5-7,13-14,17,23,25,33H,4,8-12,15-16H2,1-2H3/t23-,25?,27+/m1/s1
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 1.60n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry

Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
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
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 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))		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
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 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))		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
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 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
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50077912
PNG
(CHEMBL3417231)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CC(C)c2cc(Br)ccc12)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F |r|
Show InChI InChI=1S/C29H34BrF3N2O/c1-17(2)28(27(36)35-11-9-19-4-5-21(29(31,32)33)13-20(19)16-35)10-8-23(15-28)34-26-12-18(3)25-14-22(30)6-7-24(25)26/h4-7,13-14,17-18,23,26,34H,8-12,15-16H2,1-3H3/t18?,23-,26?,28+/m1/s1
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 2n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry

Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
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
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 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
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50077991
PNG
(CHEMBL3417237)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)N[C@H]1C[C@@H](C)c2cc(Br)ccc12)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F |r|
Show InChI InChI=1S/C29H34BrF3N2O/c1-17(2)28(27(36)35-11-9-19-4-5-21(29(31,32)33)13-20(19)16-35)10-8-23(15-28)34-26-12-18(3)25-14-22(30)6-7-24(25)26/h4-7,13-14,17-18,23,26,34H,8-12,15-16H2,1-3H3/t18-,23-,26+,28+/m1/s1
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 2n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry

Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50077986
PNG
(CHEMBL3417111)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2ccccc12)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F |r|
Show InChI InChI=1S/C28H33F3N2O/c1-18(2)27(13-11-23(16-27)32-25-10-8-20-5-3-4-6-24(20)25)26(34)33-14-12-19-7-9-22(28(29,30)31)15-21(19)17-33/h3-7,9,15,18,23,25,32H,8,10-14,16-17H2,1-2H3/t23-,25?,27+/m1/s1
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PubMed
 2.20n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry

Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
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
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 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
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50077972
PNG
(CHEMBL3417118)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(Br)ccc12)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F |r|
Show InChI InChI=1S/C28H32BrF3N2O/c1-17(2)27(11-9-23(15-27)33-25-8-4-19-14-22(29)6-7-24(19)25)26(35)34-12-10-18-3-5-21(28(30,31)32)13-20(18)16-34/h3,5-7,13-14,17,23,25,33H,4,8-12,15-16H2,1-2H3/t23-,25?,27+/m1/s1
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 2.30n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry

Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50077908
PNG
(CHEMBL3417235)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)N[C@@H]1CCc2cc(Br)ccc12)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F |r|
Show InChI InChI=1S/C28H32BrF3N2O/c1-17(2)27(11-9-23(15-27)33-25-8-4-19-14-22(29)6-7-24(19)25)26(35)34-12-10-18-3-5-21(28(30,31)32)13-20(18)16-34/h3,5-7,13-14,17,23,25,33H,4,8-12,15-16H2,1-2H3/t23-,25-,27+/m1/s1
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 2.40n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry

Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
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)
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 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
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 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
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
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 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
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
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 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))		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)
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 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
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 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
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50077913
PNG
(CHEMBL3417230)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CC(C)c2ccccc12)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F |r|
Show InChI InChI=1S/C29H35F3N2O/c1-18(2)28(12-10-23(16-28)33-26-14-19(3)24-6-4-5-7-25(24)26)27(35)34-13-11-20-8-9-22(29(30,31)32)15-21(20)17-34/h4-9,15,18-19,23,26,33H,10-14,16-17H2,1-3H3/t19?,23-,26?,28+/m1/s1
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 3.40n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry

Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
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
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 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
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 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))		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
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 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
C-C motif chemokine 2


(Homo sapiens (Human))		BDBM50440552
PNG
(CHEMBL2426340)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(Br)ccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C27H29BrF6N2O/c1-15(2)25(8-7-21(13-25)36-23-6-3-17-11-20(28)4-5-22(17)23)24(37)35-14-16-9-18(26(29,30)31)12-19(10-16)27(32,33)34/h4-5,9-12,15,21,23,36H,3,6-8,13-14H2,1-2H3,(H,35,37)/t21-,23?,25+/m1/s1
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 3.60n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes

J Med Chem 56: 7706-14 (2013)


Article DOI: 10.1021/jm4011737
BindingDB Entry DOI: 10.7270/Q2FT8NG3
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)
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 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
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 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
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
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 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
C-C motif chemokine 2


(Homo sapiens (Human))		BDBM50440556
PNG
(CHEMBL2426334)
Show SMILES COc1cc2CCC(N[C@@H]3CC[C@](C3)(C(C)C)C(=O)NCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c2cc1OC |r|
Show InChI InChI=1S/C29H34F6N2O3/c1-16(2)27(26(38)36-15-17-9-19(28(30,31)32)12-20(10-17)29(33,34)35)8-7-21(14-27)37-23-6-5-18-11-24(39-3)25(40-4)13-22(18)23/h9-13,16,21,23,37H,5-8,14-15H2,1-4H3,(H,36,38)/t21-,23?,27+/m1/s1
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 3.90n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes

J Med Chem 56: 7706-14 (2013)


Article DOI: 10.1021/jm4011737
BindingDB Entry DOI: 10.7270/Q2FT8NG3
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)
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 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
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
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 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
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 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
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 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))		BDBM50074520
PNG
(Allyl-[3-(2-bromo-4-isopropyl-phenyl)-5-methyl-3H-...)
Show SMILES COCCN(CC=C)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C20H25BrN6O/c1-6-9-26(10-11-28-5)19-18-20(23-14(4)22-19)27(25-24-18)17-8-7-15(13(2)3)12-16(17)21/h6-8,12-13H,1,9-11H2,2-5H3
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 4.30n/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))		BDBM50074472
PNG
(CHEMBL352340 | [9-(2-Bromo-4-isopropyl-phenyl)-2-m...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C21H28BrN5/c1-6-8-11-26(7-2)20-19-21(25-15(5)24-20)27(13-23-19)18-10-9-16(14(3)4)12-17(18)22/h9-10,12-14H,6-8,11H2,1-5H3
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 4.30n/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
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50077966
PNG
(CHEMBL3417119)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2cc(I)ccc12)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F |r|
Show InChI InChI=1S/C28H32F3IN2O/c1-17(2)27(11-9-23(15-27)33-25-8-4-19-14-22(32)6-7-24(19)25)26(35)34-12-10-18-3-5-21(28(29,30)31)13-20(18)16-34/h3,5-7,13-14,17,23,25,33H,4,8-12,15-16H2,1-2H3/t23-,25?,27+/m1/s1
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 4.40n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry

Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50074447
PNG
(Butyl-[3-(2-chloro-4,6-dimethoxy-phenyl)-5-methyl-...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(nnc12)-c1c(Cl)cc(OC)cc1OC |(15.38,-2.71,;14.03,-1.94,;12.71,-2.71,;11.37,-1.94,;10.04,-2.71,;8.7,-1.94,;8.7,-.4,;10.04,-4.25,;8.7,-5.02,;8.7,-6.55,;7.36,-7.32,;10.04,-7.32,;11.37,-6.55,;12.82,-7.04,;13.73,-5.79,;12.82,-4.55,;11.37,-5.02,;13.15,-8.54,;14.62,-9,;15.76,-7.98,;14.94,-10.51,;13.8,-11.54,;14.15,-13.05,;13.01,-14.1,;12.33,-11.07,;12.01,-9.56,;10.54,-9.09,;9.4,-10.13,)|
Show InChI InChI=1S/C19H25ClN6O2/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
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 4.40n/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
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50074534
PNG
(CHEMBL367110 | [9-(2-Bromo-4-isopropyl-phenyl)-2-m...)
Show SMILES CCCC(CC)Nc1nc(C)nc2n(cnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C21H28BrN5/c1-6-8-16(7-2)26-20-19-21(25-14(5)24-20)27(12-23-19)18-10-9-15(13(3)4)11-17(18)22/h9-13,16H,6-8H2,1-5H3,(H,24,25,26)
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 4.40n/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
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50074454
PNG
(CHEMBL169781 | [3-(2-Bromo-4-isopropyl-phenyl)-5-m...)
Show SMILES CCCCC(CCCC)Nc1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C23H33BrN6/c1-6-8-10-18(11-9-7-2)27-22-21-23(26-16(5)25-22)30(29-28-21)20-13-12-17(15(3)4)14-19(20)24/h12-15,18H,6-11H2,1-5H3,(H,25,26,27)
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 4.5n/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
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50077911
PNG
(CHEMBL3417232)
Show SMILES COc1cc2C(CCc2cc1Br)N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F |r|
Show InChI InChI=1S/C29H34BrF3N2O2/c1-17(2)28(27(36)35-11-9-18-4-6-21(29(31,32)33)12-20(18)16-35)10-8-22(15-28)34-25-7-5-19-13-24(30)26(37-3)14-23(19)25/h4,6,12-14,17,22,25,34H,5,7-11,15-16H2,1-3H3/t22-,25?,28+/m1/s1
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 4.5n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry

Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50074457
PNG
(CHEMBL355329 | [3-(2-Bromo-4-isopropyl-phenyl)-5-m...)
Show SMILES COCCN(CC1CC1)c1nc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C21H27BrN6O/c1-13(2)16-7-8-18(17(22)11-16)28-21-19(25-26-28)20(23-14(3)24-21)27(9-10-29-4)12-15-5-6-15/h7-8,11,13,15H,5-6,9-10,12H2,1-4H3
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 4.60n/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
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50077984
PNG
(CHEMBL3417113)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)NC1CCc2c1cccc2N)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F |r|
Show InChI InChI=1S/C28H34F3N3O/c1-17(2)27(12-10-21(15-27)33-25-9-8-22-23(25)4-3-5-24(22)32)26(35)34-13-11-18-6-7-20(28(29,30)31)14-19(18)16-34/h3-7,14,17,21,25,33H,8-13,15-16,32H2,1-2H3/t21-,25?,27+/m1/s1
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 4.60n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry

Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50077990
PNG
(CHEMBL3417238)
Show SMILES CC(C)[C@@]1(CC[C@H](C1)N[C@H]1C[C@H](C)c2cc(Br)ccc12)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F |r|
Show InChI InChI=1S/C29H34BrF3N2O/c1-17(2)28(27(36)35-11-9-19-4-5-21(29(31,32)33)13-20(19)16-35)10-8-23(15-28)34-26-12-18(3)25-14-22(30)6-7-24(25)26/h4-7,13-14,17-18,23,26,34H,8-12,15-16H2,1-3H3/t18-,23+,26-,28-/m0/s1
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 4.60n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry

Eur J Med Chem 93: 121-34 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.063
BindingDB Entry DOI: 10.7270/Q25M67DX
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50074449
PNG
(CHEMBL352353 | [3-(4-Isopropyl-2-methylsulfanyl-ph...)
Show SMILES COCCN(CCOC)c1cc(C)nc2n(nnc12)-c1ccc(cc1SC)C(C)C
Show InChI InChI=1S/C22H31N5O2S/c1-15(2)17-7-8-18(20(14-17)30-6)27-22-21(24-25-27)19(13-16(3)23-22)26(9-11-28-4)10-12-29-5/h7-8,13-15H,9-12H2,1-6H3
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 4.70n/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
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50074503
PNG
(CHEMBL169561 | [3-(2-Bromo-4-isopropyl-phenyl)-5-m...)
Show SMILES COCCN(CCOC)c1cc(C)nc2n(nnc12)-c1ccc(cc1Br)C(C)C
Show InChI InChI=1S/C21H28BrN5O2/c1-14(2)16-6-7-18(17(22)13-16)27-21-20(24-25-27)19(12-15(3)23-21)26(8-10-28-4)9-11-29-5/h6-7,12-14H,8-11H2,1-5H3
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 4.70n/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
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Ligand-Target Pair
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