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BDBM50507707 CHEMBL4466555

SMILES: Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F

InChI Key: InChIKey=YXARVHZXTQVAOP-UHFFFAOYSA-N

Data: 12 IC50

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50507707   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50507707
PNG
(CHEMBL4466555)
Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H18ClF3N6O2/c1-12-2-3-13(21(35)33-14-4-5-16(25)15(9-14)24(26,27)28)8-17(12)34-22(36)23(6-7-23)19-18-20(31-10-29-18)32-11-30-19/h2-5,8-11H,6-7H2,1H3,(H,33,35)(H,34,36)(H,29,30,31,32)
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n/an/a 41n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human LCK using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 243-255 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.033
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50507707
PNG
(CHEMBL4466555)
Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H18ClF3N6O2/c1-12-2-3-13(21(35)33-14-4-5-16(25)15(9-14)24(26,27)28)8-17(12)34-22(36)23(6-7-23)19-18-20(31-10-29-18)32-11-30-19/h2-5,8-11H,6-7H2,1H3,(H,33,35)(H,34,36)(H,29,30,31,32)
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n/an/a 3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human DDR1 using KKSRGDYMTMQIG as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 243-255 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.033
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50507707
PNG
(CHEMBL4466555)
Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H18ClF3N6O2/c1-12-2-3-13(21(35)33-14-4-5-16(25)15(9-14)24(26,27)28)8-17(12)34-22(36)23(6-7-23)19-18-20(31-10-29-18)32-11-30-19/h2-5,8-11H,6-7H2,1H3,(H,33,35)(H,34,36)(H,29,30,31,32)
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n/an/a 2.60n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human DDR2 using KKSRGDYMTMQIG as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 243-255 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.033
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (Human))
BDBM50507707
PNG
(CHEMBL4466555)
Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H18ClF3N6O2/c1-12-2-3-13(21(35)33-14-4-5-16(25)15(9-14)24(26,27)28)8-17(12)34-22(36)23(6-7-23)19-18-20(31-10-29-18)32-11-30-19/h2-5,8-11H,6-7H2,1H3,(H,33,35)(H,34,36)(H,29,30,31,32)
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n/an/a 3.90n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human FMS using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 243-255 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.033
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50507707
PNG
(CHEMBL4466555)
Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H18ClF3N6O2/c1-12-2-3-13(21(35)33-14-4-5-16(25)15(9-14)24(26,27)28)8-17(12)34-22(36)23(6-7-23)19-18-20(31-10-29-18)32-11-30-19/h2-5,8-11H,6-7H2,1H3,(H,33,35)(H,34,36)(H,29,30,31,32)
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n/an/a 25n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human PDGFRbeta using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 243-255 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.033
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50507707
PNG
(CHEMBL4466555)
Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H18ClF3N6O2/c1-12-2-3-13(21(35)33-14-4-5-16(25)15(9-14)24(26,27)28)8-17(12)34-22(36)23(6-7-23)19-18-20(31-10-29-18)32-11-30-19/h2-5,8-11H,6-7H2,1H3,(H,33,35)(H,34,36)(H,29,30,31,32)
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n/an/a 1n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human BRAF using MEK1 (K97R) as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 243-255 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.033
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50507707
PNG
(CHEMBL4466555)
Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H18ClF3N6O2/c1-12-2-3-13(21(35)33-14-4-5-16(25)15(9-14)24(26,27)28)8-17(12)34-22(36)23(6-7-23)19-18-20(31-10-29-18)32-11-30-19/h2-5,8-11H,6-7H2,1H3,(H,33,35)(H,34,36)(H,29,30,31,32)
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n/an/a 0.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human cRAF using MEK1 (K97R) as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 243-255 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.033
More data for this
Ligand-Target Pair
Ephrin type-A receptor 2


(Homo sapiens (Human))
BDBM50507707
PNG
(CHEMBL4466555)
Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H18ClF3N6O2/c1-12-2-3-13(21(35)33-14-4-5-16(25)15(9-14)24(26,27)28)8-17(12)34-22(36)23(6-7-23)19-18-20(31-10-29-18)32-11-30-19/h2-5,8-11H,6-7H2,1H3,(H,33,35)(H,34,36)(H,29,30,31,32)
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n/an/a 14n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human EPHA2 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 243-255 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.033
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50507707
PNG
(CHEMBL4466555)
Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H18ClF3N6O2/c1-12-2-3-13(21(35)33-14-4-5-16(25)15(9-14)24(26,27)28)8-17(12)34-22(36)23(6-7-23)19-18-20(31-10-29-18)32-11-30-19/h2-5,8-11H,6-7H2,1H3,(H,33,35)(H,34,36)(H,29,30,31,32)
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n/an/a 5.20n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human RET using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 243-255 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.033
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50507707
PNG
(CHEMBL4466555)
Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H18ClF3N6O2/c1-12-2-3-13(21(35)33-14-4-5-16(25)15(9-14)24(26,27)28)8-17(12)34-22(36)23(6-7-23)19-18-20(31-10-29-18)32-11-30-19/h2-5,8-11H,6-7H2,1H3,(H,33,35)(H,34,36)(H,29,30,31,32)
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n/an/a 39n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human FGFR2 using poly[Glu:Tyr] (4:1) as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 243-255 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.033
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50507707
PNG
(CHEMBL4466555)
Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H18ClF3N6O2/c1-12-2-3-13(21(35)33-14-4-5-16(25)15(9-14)24(26,27)28)8-17(12)34-22(36)23(6-7-23)19-18-20(31-10-29-18)32-11-30-19/h2-5,8-11H,6-7H2,1H3,(H,33,35)(H,34,36)(H,29,30,31,32)
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n/an/a 1n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human ARAF using MEK1 as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 243-255 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.033
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50507707
PNG
(CHEMBL4466555)
Show SMILES Cc1ccc(cc1NC(=O)C1(CC1)c1ncnc2[nH]cnc12)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H18ClF3N6O2/c1-12-2-3-13(21(35)33-14-4-5-16(25)15(9-14)24(26,27)28)8-17(12)34-22(36)23(6-7-23)19-18-20(31-10-29-18)32-11-30-19/h2-5,8-11H,6-7H2,1H3,(H,33,35)(H,34,36)(H,29,30,31,32)
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n/an/a 1.90n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human BRAF V600E mutant using MEK1 (K97R) as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 163: 243-255 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.033
More data for this
Ligand-Target Pair