BDBM50160870 CHEMBL3787344::WO2022090481, Example nazartinib

SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12

InChI Key InChIKey=IOMMMLWIABWRKL-WUTDNEBXSA-N

Data  17 IC50

Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50160870   

TargetEpidermal growth factor receptor(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50160870(CHEMBL3787344 | WO2022090481, Example nazartinib)
Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12
Show InChI InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1
Affinity DataIC50: 161nMAssay Description:Inhibition of wild type EGFR phosphorylation in human HaCaT cells incubated for 3 hrs by ELISA methodMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [L858R,T790M,C797S](Homo sapiens (Human))
BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO
LigandPNGBDBM50160870(CHEMBL3787344 | WO2022090481, Example nazartinib)
Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12
Show InChI InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1
Affinity DataIC50: 759nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50160870(CHEMBL3787344 | WO2022090481, Example nazartinib)
Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12
Show InChI InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50160870(CHEMBL3787344 | WO2022090481, Example nazartinib)
Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12
Show InChI InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
LigandPNGBDBM50160870(CHEMBL3787344 | WO2022090481, Example nazartinib)
Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12
Show InChI InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1
Affinity DataIC50: 25nMAssay Description:Inhibition of EGFR L858R/T790M double mutant in human NCI-H1975 cells assessed as suppression of cell proliferationMore data for this Ligand-Target Pair
LigandPNGBDBM50160870(CHEMBL3787344 | WO2022090481, Example nazartinib)
Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12
Show InChI InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1
Affinity DataIC50: 9nMAssay Description:Inhibition of EGFR L858R mutant in human H3255 cells assessed as suppression of cell proliferationMore data for this Ligand-Target Pair
LigandPNGBDBM50160870(CHEMBL3787344 | WO2022090481, Example nazartinib)
Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12
Show InChI InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1
Affinity DataIC50: 11nMAssay Description:Inhibition of EGFR Del ex19 mutant in human HCC827 cells assessed as suppression of cell proliferationMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor/Interleukin-3(Homo sapiens (Human))
BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO
LigandPNGBDBM50160870(CHEMBL3787344 | WO2022090481, Example nazartinib)
Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12
Show InChI InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1
Affinity DataIC50: 5.00E+3nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50160870(CHEMBL3787344 | WO2022090481, Example nazartinib)
Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12
Show InChI InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1
Affinity DataIC50: 95nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetEpidermal growth factor receptor [1-18,20-1210](Homo sapiens (Human))
BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO
LigandPNGBDBM50160870(CHEMBL3787344 | WO2022090481, Example nazartinib)
Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12
Show InChI InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1
Affinity DataIC50: 1.10nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetEpidermal growth factor receptor [1-18,20-1210,T790M](Homo sapiens (Human))
BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO
LigandPNGBDBM50160870(CHEMBL3787344 | WO2022090481, Example nazartinib)
Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12
Show InChI InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1
Affinity DataIC50: 4.10nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetEpidermal growth factor receptor [1-18,20-1210,C797S](Homo sapiens (Human))
BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO
LigandPNGBDBM50160870(CHEMBL3787344 | WO2022090481, Example nazartinib)
Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12
Show InChI InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1
Affinity DataIC50: 745nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetEpidermal growth factor receptor [1-18,20-1210,T790M,C797S](Homo sapiens (Human))
BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO
LigandPNGBDBM50160870(CHEMBL3787344 | WO2022090481, Example nazartinib)
Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12
Show InChI InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1
Affinity DataIC50: 455nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetEpidermal growth factor receptor [L858R](Homo sapiens (Human))
BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO
LigandPNGBDBM50160870(CHEMBL3787344 | WO2022090481, Example nazartinib)
Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12
Show InChI InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1
Affinity DataIC50: 5.10nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))
BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO
LigandPNGBDBM50160870(CHEMBL3787344 | WO2022090481, Example nazartinib)
Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12
Show InChI InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1
Affinity DataIC50: 7.30nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetEpidermal growth factor receptor [L858R,C797S](Homo sapiens (Human))
BOEHRINGER INGELHEIM INTERNATIONAL GMBH

WIPO
LigandPNGBDBM50160870(CHEMBL3787344 | WO2022090481, Example nazartinib)
Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12
Show InChI InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1
Affinity DataIC50: 1.99E+3nMAssay Description: This assay quantifies the phosphorylation of EGFR at Tyr1068 and was used to measure the inhibitory effect of compounds on the transgenic EGFR del19...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50160870(CHEMBL3787344 | WO2022090481, Example nazartinib)
Show SMILES CN(C)C\C=C\C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12
Show InChI InChI=1S/C26H31ClN6O2/c1-18-16-19(12-13-28-18)25(35)30-26-29-22-10-6-9-21(27)24(22)33(26)20-8-4-5-15-32(17-20)23(34)11-7-14-31(2)3/h6-7,9-13,16,20H,4-5,8,14-15,17H2,1-3H3,(H,29,30,35)/b11-7+/t20-/m1/s1
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair