null

SMILES: Fc1cnc(Nc2ccc(nc2)N2CCS(=O)(=O)CC2)nc1Nc1cccc(NC(=O)C=C)c1

InChI Key: InChIKey=QGZJKTGTMBPJJI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 397159   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM397159 (US10596172, Compound I-72 | US10828300, Compound I...) Show SMILES Fc1cnc(Nc2ccc(nc2)N2CCS(=O)(=O)CC2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H22FN7O3S/c1-2-20(31)26-15-4-3-5-16(12-15)27-21-18(23)14-25-22(29-21)28-17-6-7-19(24-13-17)30-8-10-34(32,33)11-9-30/h2-7,12-14H,1,8-11H2,(H,26,31)(H2,25,27,28,29)	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
BioCryst Pharmaceuticals					Assay Description EGFR (WT) and EGFR (T790M/L858R): The Omnia Assay Protocol for potency assessment against EGFR is performed as described in Example 251 above except ...				Bioorg Med Chem 17: 3934-58 (2009) BindingDB Entry DOI: 10.7270/Q2NV9MM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397159 (US10596172, Compound I-72 | US10828300, Compound I...) Show SMILES Fc1cnc(Nc2ccc(nc2)N2CCS(=O)(=O)CC2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H22FN7O3S/c1-2-20(31)26-15-4-3-5-16(12-15)27-21-18(23)14-25-22(29-21)28-17-6-7-19(24-13-17)30-8-10-34(32,33)11-9-30/h2-7,12-14H,1,8-11H2,(H,26,31)(H2,25,27,28,29)	PDB MMDB 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
BioCryst Pharmaceuticals					Assay Description ITK: This example describes continuous-read kinase assays to measure inherent potency of compound against active forms of ITK enzymes as described in...				Bioorg Med Chem 17: 3934-58 (2009) BindingDB Entry DOI: 10.7270/Q2NV9MM2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397159 (US10596172, Compound I-72 | US10828300, Compound I...) Show SMILES Fc1cnc(Nc2ccc(nc2)N2CCS(=O)(=O)CC2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H22FN7O3S/c1-2-20(31)26-15-4-3-5-16(12-15)27-21-18(23)14-25-22(29-21)28-17-6-7-19(24-13-17)30-8-10-34(32,33)11-9-30/h2-7,12-14H,1,8-11H2,(H,26,31)(H2,25,27,28,29)	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)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397159 (US10596172, Compound I-72 | US10828300, Compound I...) Show SMILES Fc1cnc(Nc2ccc(nc2)N2CCS(=O)(=O)CC2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H22FN7O3S/c1-2-20(31)26-15-4-3-5-16(12-15)27-21-18(23)14-25-22(29-21)28-17-6-7-19(24-13-17)30-8-10-34(32,33)11-9-30/h2-7,12-14H,1,8-11H2,(H,26,31)(H2,25,27,28,29)	PDB MMDB 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)
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM397159 (US10596172, Compound I-72 | US10828300, Compound I...) Show SMILES Fc1cnc(Nc2ccc(nc2)N2CCS(=O)(=O)CC2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H22FN7O3S/c1-2-20(31)26-15-4-3-5-16(12-15)27-21-18(23)14-25-22(29-21)28-17-6-7-19(24-13-17)30-8-10-34(32,33)11-9-30/h2-7,12-14H,1,8-11H2,(H,26,31)(H2,25,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397159 (US10596172, Compound I-72 | US10828300, Compound I...) Show SMILES Fc1cnc(Nc2ccc(nc2)N2CCS(=O)(=O)CC2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H22FN7O3S/c1-2-20(31)26-15-4-3-5-16(12-15)27-21-18(23)14-25-22(29-21)28-17-6-7-19(24-13-17)30-8-10-34(32,33)11-9-30/h2-7,12-14H,1,8-11H2,(H,26,31)(H2,25,27,28,29)	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)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM397159 (US10596172, Compound I-72 | US10828300, Compound I...) Show SMILES Fc1cnc(Nc2ccc(nc2)N2CCS(=O)(=O)CC2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H22FN7O3S/c1-2-20(31)26-15-4-3-5-16(12-15)27-21-18(23)14-25-22(29-21)28-17-6-7-19(24-13-17)30-8-10-34(32,33)11-9-30/h2-7,12-14H,1,8-11H2,(H,26,31)(H2,25,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM397159 (US10596172, Compound I-72 | US10828300, Compound I...) Show SMILES Fc1cnc(Nc2ccc(nc2)N2CCS(=O)(=O)CC2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H22FN7O3S/c1-2-20(31)26-15-4-3-5-16(12-15)27-21-18(23)14-25-22(29-21)28-17-6-7-19(24-13-17)30-8-10-34(32,33)11-9-30/h2-7,12-14H,1,8-11H2,(H,26,31)(H2,25,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM397159 (US10596172, Compound I-72 | US10828300, Compound I...) Show SMILES Fc1cnc(Nc2ccc(nc2)N2CCS(=O)(=O)CC2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H22FN7O3S/c1-2-20(31)26-15-4-3-5-16(12-15)27-21-18(23)14-25-22(29-21)28-17-6-7-19(24-13-17)30-8-10-34(32,33)11-9-30/h2-7,12-14H,1,8-11H2,(H,26,31)(H2,25,27,28,29)	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)
					More data for this Ligand-Target Pair