null

SMILES: CN1CCC(COc2cccc(Nc3ncc(F)c(Oc4cccc(NC(=O)C=C)c4)n3)c2)CC1

InChI Key: InChIKey=NCGCCASVBXJHCL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 437748   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM437748 (US10596172, Compound I-82 | US10828300, Compound I...) Show SMILES CN1CCC(COc2cccc(Nc3ncc(F)c(Oc4cccc(NC(=O)C=C)c4)n3)c2)CC1 Show InChI InChI=1S/C26H28FN5O3/c1-3-24(33)29-19-6-5-9-22(15-19)35-25-23(27)16-28-26(31-25)30-20-7-4-8-21(14-20)34-17-18-10-12-32(2)13-11-18/h3-9,14-16,18H,1,10-13,17H2,2H3,(H,29,33)(H,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM437748 (US10596172, Compound I-82 | US10828300, Compound I...) Show SMILES CN1CCC(COc2cccc(Nc3ncc(F)c(Oc4cccc(NC(=O)C=C)c4)n3)c2)CC1 Show InChI InChI=1S/C26H28FN5O3/c1-3-24(33)29-19-6-5-9-22(15-19)35-25-23(27)16-28-26(31-25)30-20-7-4-8-21(14-20)34-17-18-10-12-32(2)13-11-18/h3-9,14-16,18H,1,10-13,17H2,2H3,(H,29,33)(H,28,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10596172 (2020) BindingDB Entry DOI: 10.7270/Q2VM4G9X
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM437748 (US10596172, Compound I-82 | US10828300, Compound I...) Show SMILES CN1CCC(COc2cccc(Nc3ncc(F)c(Oc4cccc(NC(=O)C=C)c4)n3)c2)CC1 Show InChI InChI=1S/C26H28FN5O3/c1-3-24(33)29-19-6-5-9-22(15-19)35-25-23(27)16-28-26(31-25)30-20-7-4-8-21(14-20)34-17-18-10-12-32(2)13-11-18/h3-9,14-16,18H,1,10-13,17H2,2H3,(H,29,33)(H,28,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FHZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM437748 (US10596172, Compound I-82 | US10828300, Compound I...) Show SMILES CN1CCC(COc2cccc(Nc3ncc(F)c(Oc4cccc(NC(=O)C=C)c4)n3)c2)CC1 Show InChI InChI=1S/C26H28FN5O3/c1-3-24(33)29-19-6-5-9-22(15-19)35-25-23(27)16-28-26(31-25)30-20-7-4-8-21(14-20)34-17-18-10-12-32(2)13-11-18/h3-9,14-16,18H,1,10-13,17H2,2H3,(H,29,33)(H,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FHZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM437748 (US10596172, Compound I-82 | US10828300, Compound I...) Show SMILES CN1CCC(COc2cccc(Nc3ncc(F)c(Oc4cccc(NC(=O)C=C)c4)n3)c2)CC1 Show InChI InChI=1S/C26H28FN5O3/c1-3-24(33)29-19-6-5-9-22(15-19)35-25-23(27)16-28-26(31-25)30-20-7-4-8-21(14-20)34-17-18-10-12-32(2)13-11-18/h3-9,14-16,18H,1,10-13,17H2,2H3,(H,29,33)(H,28,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Briefly, 10x stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FHZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM437748 (US10596172, Compound I-82 | US10828300, Compound I...) Show SMILES CN1CCC(COc2cccc(Nc3ncc(F)c(Oc4cccc(NC(=O)C=C)c4)n3)c2)CC1 Show InChI InChI=1S/C26H28FN5O3/c1-3-24(33)29-19-6-5-9-22(15-19)35-25-23(27)16-28-26(31-25)30-20-7-4-8-21(14-20)34-17-18-10-12-32(2)13-11-18/h3-9,14-16,18H,1,10-13,17H2,2H3,(H,29,33)(H,28,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Briefly, 10× stocks of EGFR-WT (PV3872) from Invitrogen and EGFR-T790M/L858R (40350) from BPS Bioscience, San Diego, Calif., 1.13×ATP (AS001A) and ap...				US Patent US10828300 (2020) BindingDB Entry DOI: 10.7270/Q2JS9THK
					More data for this Ligand-Target Pair