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Compile Data Set for Download or QSAR

Found 605 hits with Last Name = 'solovay' and Initial = 'c'   
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
Interleukin-1 beta


(Homo sapiens (Human))		BDBM531223
PNG
((R)-2-(4-Methyl-6-((1-methylpiperidin-3-yl)amino)p...)
Show SMILES CN1CCC[C@H](C1)Nc1cc(C)c(nn1)-c1ccc(cc1O)C(F)(F)F |r|
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))		BDBM531296
PNG
(US11208399, Example 53)
Show SMILES CN1CCC[C@H](C1)Nc1cc(c(nn1)-c1ccc(cc1O)C(F)(F)F)C(F)(F)F |r|
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TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50500363
PNG
(CHEMBL3747481)
Show SMILES FC(F)(F)c1cccc(NC(=O)n2ccc3cc(Oc4ncnc5CNCc45)ccc23)c1
Show InChI InChI=1S/C22H16F3N5O2/c23-22(24,25)14-2-1-3-15(9-14)29-21(31)30-7-6-13-8-16(4-5-19(13)30)32-20-17-10-26-11-18(17)27-12-28-20/h1-9,12,26H,10-11H2,(H,29,31)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused KDR (unknown origin) expressed in mouse BaF3 cells using poly(Glu,Tyr) as substrate after 10 mins by scintillation counting a...

J Med Chem 58: 9273-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01227
BindingDB Entry DOI: 10.7270/Q26M39T9
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM134505
PNG
(US8846656, 21-D)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)cccc1C |r|
Show InChI InChI=1S/C32H42N4O/c1-20(2)25-12-11-21(3)29(18-25)35-15-14-28-27(19-35)32(36-16-13-26(37-7)17-24(36)6)34-31(33-28)30-22(4)9-8-10-23(30)5/h8-12,18,20,24,26H,13-17,19H2,1-7H3/t24-,26-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...

US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM134531
PNG
(US8846656, 23-I)
Show SMILES CO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12 |r|
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...

US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50500371
PNG
(CHEMBL3746941)
Show SMILES CC1(CC1)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5CNCc45)ccc23)n[nH]1
Show InChI InChI=1S/C22H21N7O2/c1-22(5-6-22)18-9-19(28-27-18)26-21(30)29-7-4-13-8-14(2-3-17(13)29)31-20-15-10-23-11-16(15)24-12-25-20/h2-4,7-9,12,23H,5-6,10-11H2,1H3,(H2,26,27,28,30)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused KDR (unknown origin) expressed in mouse BaF3 cells using poly(Glu,Tyr) as substrate after 10 mins by scintillation counting a...

J Med Chem 58: 9273-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01227
BindingDB Entry DOI: 10.7270/Q26M39T9
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))		BDBM531253
PNG
(US11208399, Example 12)
Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |r|
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TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50270431
PNG
(CHEMBL4076909)
Show SMILES C[C@H]1Cc2c(CN1C(C)=O)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C1(CC1)C(F)(F)F |r|
Show InChI InChI=1S/C26H23F3N6O4/c1-14-9-18-19(12-35(14)15(2)36)30-13-31-23(18)38-17-3-4-20-16(10-17)5-8-34(20)24(37)32-22-11-21(39-33-22)25(6-7-25)26(27,28)29/h3-5,8,10-11,13-14H,6-7,9,12H2,1-2H3,(H,32,33,37)/t14-/m0/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells

J Med Chem 61: 1622-1635 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))		BDBM531331
PNG
(US11208399, Example 82)
Show SMILES CN1CCC[C@H](C1)Nc1cc(C)c(nn1)-c1ccc(OC(F)(F)F)cc1O |r|
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n/an/a 0.700n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))		BDBM531289
PNG
(US11208399, Example 48)
Show SMILES CN1CCC[C@H](C1)Nc1nnc(c(C)c1C)-c1ccc(cc1O)C(F)(F)F |r|
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TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))		BDBM531332
PNG
(US11208399, Example 83a)
Show SMILES Cc1cc(OC(F)(F)F)cc(O)c1-c1ccc(N[C@@H]2CCCN3CCC[C@H]23)nn1 |r|
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TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))		BDBM531319
PNG
(US11208399, Example 71)
Show SMILES CN1CCC[C@H](C1)Nc1cc(C)c(nn1)-c1ccc(Cl)cc1O |r|
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TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))		BDBM531220
PNG
((R)-2-(6-((1-Ethylpiperidin-3-yl)amino)pyridazin-3...)
Show SMILES CCN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |r|
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TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))		BDBM531288
PNG
(US11208399, Example 47)
Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(C)cc1O |r|
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TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50270424
PNG
(CHEMBL3746776)
Show SMILES C[C@H]1Cc2c(CN1)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc([nH]n1)C1(C)CC1 |r|
Show InChI InChI=1S/C24H25N7O2/c1-14-9-17-18(12-25-14)26-13-27-22(17)33-16-3-4-19-15(10-16)5-8-31(19)23(32)28-21-11-20(29-30-21)24(2)6-7-24/h3-5,8,10-11,13-14,25H,6-7,9,12H2,1-2H3,(H2,28,29,30,32)/t14-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells

J Med Chem 61: 1622-1635 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50500370
PNG
(CHEMBL3746273)
Show SMILES C[C@@H]1Cc2c(CN1)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc([nH]n1)C1(C)CC1 |r|
Show InChI InChI=1S/C24H25N7O2/c1-14-9-17-18(12-25-14)26-13-27-22(17)33-16-3-4-19-15(10-16)5-8-31(19)23(32)28-21-11-20(29-30-21)24(2)6-7-24/h3-5,8,10-11,13-14,25H,6-7,9,12H2,1-2H3,(H2,28,29,30,32)/t14-/m1/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused KDR (unknown origin) expressed in mouse BaF3 cells using poly(Glu,Tyr) as substrate after 10 mins by scintillation counting a...

J Med Chem 58: 9273-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01227
BindingDB Entry DOI: 10.7270/Q26M39T9
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))		BDBM531230
PNG
(US11208399, Example 6)
Show SMILES Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CCCN(CCO)C2)nn1)C(F)(F)F |r|
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TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50270424
PNG
(CHEMBL3746776)
Show SMILES C[C@H]1Cc2c(CN1)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc([nH]n1)C1(C)CC1 |r|
Show InChI InChI=1S/C24H25N7O2/c1-14-9-17-18(12-25-14)26-13-27-22(17)33-16-3-4-19-15(10-16)5-8-31(19)23(32)28-21-11-20(29-30-21)24(2)6-7-24/h3-5,8,10-11,13-14,25H,6-7,9,12H2,1-2H3,(H2,28,29,30,32)/t14-/m0/s1
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused KDR (unknown origin) expressed in mouse BaF3 cells using poly(Glu,Tyr) as substrate after 10 mins by scintillation counting a...

J Med Chem 58: 9273-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01227
BindingDB Entry DOI: 10.7270/Q26M39T9
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM134511
PNG
(US8846656, 21-Q)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)ccc2[nH]nc(C)c12 |r|
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...

US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM134519
PNG
(US8846656, 21-AH)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(F)(F)F)-c1c(C)ccc2[nH]nc(C)c12 |r|
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...

US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM134518
PNG
(US8846656, 21-AG)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(Cl)ccc1C)-c1c(C)ccc2[nH]nc(C)c12 |r|
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...

US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM134580
PNG
(US8846656, 56-C)
Show SMILES CO[C@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1c(F)c(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12 |r|
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...

US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM134582
PNG
(US8846656, 56-F)
Show SMILES CO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1c(F)c(nn1C)C(F)F)-c1c(C)ccc2[nH]nc(C)c12 |r|
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...

US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM134577
PNG
(US8846656, 55-M)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1c(Cl)c(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12 |r|
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...

US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM134569
PNG
(US8846656, 52-C)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCN(CC(N)=O)C[C@H]3C)c2C1)-c1cccc2[nH]cc(C)c12 |r|
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...

US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM134520
PNG
(US8846656, 21-AI)
Show SMILES CO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)ccc2[nH]nc(C)c12 |r|
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...

US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM134523
PNG
(US8846656, 21-AL)
Show SMILES CCO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)ccc2[nH]nc(C)c12 |r|
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...

US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM134586
PNG
(US8846656, 65-A)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CC(C3)N(C)C)c2C1)-c1c(C)ccc2[nH]nc(C)c12
Show InChI InChI=1S/C31H39N7/c1-18(2)22-10-8-19(3)27(14-22)37-13-12-25-24(17-37)31(38-15-23(16-38)36(6)7)33-30(32-25)28-20(4)9-11-26-29(28)21(5)34-35-26/h8-11,14,18,23H,12-13,15-17H2,1-7H3,(H,34,35)
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...

US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM134596
PNG
(US8846656, 69-L)
Show SMILES Cc1n[nH]c2ccc(C)c(-c3nc4CCN(Cc4c(n3)N3CC[C@@H]4OC[C@]4(C)C3)c3c(Cl)c(nn3C)C3CC3)c12 |r|
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...

US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM134589
PNG
(US8846656, 65-I)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCC3C)c2C1)-c1c(C)ccc2[nH]nc(C)c12
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...

US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM134524
PNG
(US8846656, 21-AM)
Show SMILES CC(C)c1ccc(C)c(c1)N1CCc2nc(nc(N3CCCC[C@H]3C)c2C1)-c1c(C)ccc2[nH]nc(C)c12 |r|
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...

US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM134574
PNG
(US8846656, 55-I)
Show SMILES CO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1c(Cl)c(nn1C)C(F)F)-c1c(C)ccc2[nH]nc(C)c12 |r|
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...

US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM134500
PNG
(US8846656, 19-AF)
Show SMILES CO[C@@H]1CCN(C[C@H]1C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1c(C)ccc2[nH]nc(C)c12 |r|
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...

US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50500377
PNG
(CHEMBL3747084)
Show SMILES CC(C)(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5CNCCc45)ccc23)n[nH]1
Show InChI InChI=1S/C23H25N7O2/c1-23(2,3)19-11-20(29-28-19)27-22(31)30-9-7-14-10-15(4-5-18(14)30)32-21-16-6-8-24-12-17(16)25-13-26-21/h4-5,7,9-11,13,24H,6,8,12H2,1-3H3,(H2,27,28,29,31)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused KDR (unknown origin) expressed in mouse BaF3 cells using poly(Glu,Tyr) as substrate after 10 mins by scintillation counting a...

J Med Chem 58: 9273-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01227
BindingDB Entry DOI: 10.7270/Q26M39T9
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM134512
PNG
(US8846656, 21-R)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C1(C)COC1)-c1c(C)ccc2[nH]nc(C)c12 |r|
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...

US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM134530
PNG
(US8846656, 23-H)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12 |r|
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...

US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))		BDBM531254
PNG
(US11208399, Example 13)
Show SMILES Cc1cc(nnc1N[C@@H]1CCCN(CCO)C1)-c1c(C)cc(cc1O)C(F)(F)F |r|
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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50270430
PNG
(CHEMBL4077373)
Show SMILES C[C@H]1Cc2c(CN1C(C)=O)ncnc2Oc1ccc2n(ccc2c1)C(=O)Nc1cc(on1)C1CC1 |r|
Show InChI InChI=1S/C25H24N6O4/c1-14-9-19-20(12-31(14)15(2)32)26-13-27-24(19)34-18-5-6-21-17(10-18)7-8-30(21)25(33)28-23-11-22(35-29-23)16-3-4-16/h5-8,10-11,13-14,16H,3-4,9,12H2,1-2H3,(H,28,29,33)/t14-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells

J Med Chem 61: 1622-1635 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50270425
PNG
(CHEMBL4080062)
Show SMILES OCc1cc(Oc2ccc3c(cccc3c2)C(=O)Nc2cccc(c2)C(F)(F)F)ncn1
Show InChI InChI=1S/C23H16F3N3O3/c24-23(25,26)15-4-2-5-16(10-15)29-22(31)20-6-1-3-14-9-18(7-8-19(14)20)32-21-11-17(12-30)27-13-28-21/h1-11,13,30H,12H2,(H,29,31)
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n/an/a 1.30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells

J Med Chem 61: 1622-1635 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))		BDBM531337
PNG
(3-Methyl-2-(6-(((1R,2R,5R)-8-methyl-8-azabicyclo[3...)
Show SMILES CN1C2CCC1C(CC2)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |TLB:0:1:6.7.8:3.4,THB:9:6:1:3.4|
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))		BDBM531252
PNG
(US11208399, Example 11)
Show SMILES CCN1CCC[C@H](C1)Nc1nnc(cc1C#N)-c1c(C)cc(cc1O)C(F)(F)F |r|
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))		BDBM531354
PNG
(2-(6-(((3S, 5S)-5-Fluoro-1-methylpiperidin-3-yl)am...)
Show SMILES CN1C[C@@H](F)C[C@@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))		BDBM531291
PNG
(US11208399, Example 49)
Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(O)cc(cc1Cl)C(F)(F)F |r|
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50270439
PNG
(CHEMBL4104297)
Show SMILES Nc1nccc(Oc2ccc3c(cccc3c2)C(=O)Nc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C22H15F3N4O2/c23-22(24,25)14-4-2-5-15(12-14)28-20(30)18-6-1-3-13-11-16(7-8-17(13)18)31-19-9-10-27-21(26)29-19/h1-12H,(H,28,30)(H2,26,27,29)
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n/an/a 1.70n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells

J Med Chem 61: 1622-1635 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))		BDBM531339
PNG
(2-(6-(((1S,2S,5S)-8-(2-Hydroxyethyl)-8-azabicyclo[...)
Show SMILES Cc1cc(cc(O)c1-c1ccc(NC2CCC3CCC2N3CCO)nn1)C(F)(F)F |TLB:12:13:20:17.18,THB:21:20:13.14.15:17.18|
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n/an/a 1.80n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))		BDBM531364
PNG
((R)-2-(6-((1-Ethylpiperidin-3-yl)amino)-5-methylpy...)
Show SMILES CCN1CCC[C@H](C1)Nc1nnc(cc1C)-c1c(C)cc(cc1O)C(F)(F)F |r|
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n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
Interleukin-1 beta


(Homo sapiens (Human))		BDBM531232
PNG
(US11208399, Example 7)
Show SMILES CC(C)N1CCCC(C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F
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n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2JD50Z5
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM134509
PNG
(US8846656, 21-N)
Show SMILES CO[C@@H]1CCN([C@H](C)C1)c1nc(nc2CCN(Cc12)c1cc(OC)ccc1C)-c1c(C)cccc1C |r|
Show InChI InChI=1S/C30H38N4O2/c1-19-10-11-23(35-5)17-27(19)33-14-13-26-25(18-33)30(34-15-12-24(36-6)16-22(34)4)32-29(31-26)28-20(2)8-7-9-21(28)3/h7-11,17,22,24H,12-16,18H2,1-6H3/t22-,24-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...

US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM134479
PNG
(US8846656, 17-AM)
Show SMILES CO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1cc(ccc1C)C(C)C)-c1cccc2[nH]cc(C)c12 |r|
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US Patent
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Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...

US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor 1


(Homo sapiens (Human))		BDBM134572
PNG
(US8846656, 55-G)
Show SMILES CO[C@@H]1CCN(CC1(C)C)c1nc(nc2CCN(Cc12)c1c(Cl)c(nn1C)C1CC1)-c1c(C)ccc2[nH]nc(C)c12 |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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UniChem

Similars
US Patent
n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were tested for their ability to inhibit C5a-mediated calcium mobilization using a stable cell line over expressing the human C5aR & the Ga...

US Patent US8846656 (2014)


BindingDB Entry DOI: 10.7270/Q2JW8CKR
More data for this
Ligand-Target Pair
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