BDBM397149 US10596172, Compound I-35::US10828300, Compound I-35::US9987276, Compound I-35

SMILES: Cc1cnc(Nc2cccc(OCC#C)c2)nc1Nc1cccc(NC(=O)C=C)c1

InChI Key: InChIKey=UXHFWCLHWKJMNI-UHFFFAOYSA-N

Data: 12 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 397149   

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
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM397149 (US10596172, Compound I-35 | US10828300, Compound I...) Show SMILES Cc1cnc(Nc2cccc(OCC#C)c2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C23H21N5O2/c1-4-12-30-20-11-7-10-19(14-20)27-23-24-15-16(3)22(28-23)26-18-9-6-8-17(13-18)25-21(29)5-2/h1,5-11,13-15H,2,12H2,3H3,(H,25,29)(H2,24,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 BMX: The activity of selected compounds of this invention in the BMX inhibition assay				Bioorg Med Chem 17: 3934-58 (2009) BindingDB Entry DOI: 10.7270/Q2NV9MM2
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM397149 (US10596172, Compound I-35 | US10828300, Compound I...) Show SMILES Cc1cnc(Nc2cccc(OCC#C)c2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C23H21N5O2/c1-4-12-30-20-11-7-10-19(14-20)27-23-24-15-16(3)22(28-23)26-18-9-6-8-17(13-18)25-21(29)5-2/h1,5-11,13-15H,2,12H2,3H3,(H,25,29)(H2,24,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	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
Epidermal growth factor receptor(L858R, T790M) (Homo sapiens (Human))	BDBM397149 (US10596172, Compound I-35 | US10828300, Compound I...) Show SMILES Cc1cnc(Nc2cccc(OCC#C)c2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C23H21N5O2/c1-4-12-30-20-11-7-10-19(14-20)27-23-24-15-16(3)22(28-23)26-18-9-6-8-17(13-18)25-21(29)5-2/h1,5-11,13-15H,2,12H2,3H3,(H,25,29)(H2,24,26,27,28)	PDB MMDB KEGG B.MOAD DrugBank 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 JAK3 (Homo sapiens (Human))	BDBM397149 (US10596172, Compound I-35 | US10828300, Compound I...) Show SMILES Cc1cnc(Nc2cccc(OCC#C)c2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C23H21N5O2/c1-4-12-30-20-11-7-10-19(14-20)27-23-24-15-16(3)22(28-23)26-18-9-6-8-17(13-18)25-21(29)5-2/h1,5-11,13-15H,2,12H2,3H3,(H,25,29)(H2,24,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 JAK3: The Omnia Assay Protocol for potency assessment against JAK3 was performed in a substantially similar manner as that described in Example 251 a...				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))	BDBM397149 (US10596172, Compound I-35 | US10828300, Compound I...) Show SMILES Cc1cnc(Nc2cccc(OCC#C)c2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C23H21N5O2/c1-4-12-30-20-11-7-10-19(14-20)27-23-24-15-16(3)22(28-23)26-18-9-6-8-17(13-18)25-21(29)5-2/h1,5-11,13-15H,2,12H2,3H3,(H,25,29)(H2,24,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	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))	BDBM397149 (US10596172, Compound I-35 | US10828300, Compound I...) Show SMILES Cc1cnc(Nc2cccc(OCC#C)c2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C23H21N5O2/c1-4-12-30-20-11-7-10-19(14-20)27-23-24-15-16(3)22(28-23)26-18-9-6-8-17(13-18)25-21(29)5-2/h1,5-11,13-15H,2,12H2,3H3,(H,25,29)(H2,24,26,27,28)	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 ITK/TSK (Homo sapiens (Human))	BDBM397149 (US10596172, Compound I-35 | US10828300, Compound I...) Show SMILES Cc1cnc(Nc2cccc(OCC#C)c2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C23H21N5O2/c1-4-12-30-20-11-7-10-19(14-20)27-23-24-15-16(3)22(28-23)26-18-9-6-8-17(13-18)25-21(29)5-2/h1,5-11,13-15H,2,12H2,3H3,(H,25,29)(H2,24,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	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
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM397149 (US10596172, Compound I-35 | US10828300, Compound I...) Show SMILES Cc1cnc(Nc2cccc(OCC#C)c2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C23H21N5O2/c1-4-12-30-20-11-7-10-19(14-20)27-23-24-15-16(3)22(28-23)26-18-9-6-8-17(13-18)25-21(29)5-2/h1,5-11,13-15H,2,12H2,3H3,(H,25,29)(H2,24,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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))	BDBM397149 (US10596172, Compound I-35 | US10828300, Compound I...) Show SMILES Cc1cnc(Nc2cccc(OCC#C)c2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C23H21N5O2/c1-4-12-30-20-11-7-10-19(14-20)27-23-24-15-16(3)22(28-23)26-18-9-6-8-17(13-18)25-21(29)5-2/h1,5-11,13-15H,2,12H2,3H3,(H,25,29)(H2,24,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	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(L858R, T790M) (Homo sapiens (Human))	BDBM397149 (US10596172, Compound I-35 | US10828300, Compound I...) Show SMILES Cc1cnc(Nc2cccc(OCC#C)c2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C23H21N5O2/c1-4-12-30-20-11-7-10-19(14-20)27-23-24-15-16(3)22(28-23)26-18-9-6-8-17(13-18)25-21(29)5-2/h1,5-11,13-15H,2,12H2,3H3,(H,25,29)(H2,24,26,27,28)	PDB MMDB KEGG B.MOAD DrugBank 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 JAK3 (Homo sapiens (Human))	BDBM397149 (US10596172, Compound I-35 | US10828300, Compound I...) Show SMILES Cc1cnc(Nc2cccc(OCC#C)c2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C23H21N5O2/c1-4-12-30-20-11-7-10-19(14-20)27-23-24-15-16(3)22(28-23)26-18-9-6-8-17(13-18)25-21(29)5-2/h1,5-11,13-15H,2,12H2,3H3,(H,25,29)(H2,24,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 BTK (Homo sapiens (Human))	BDBM397149 (US10596172, Compound I-35 | US10828300, Compound I...) Show SMILES Cc1cnc(Nc2cccc(OCC#C)c2)nc1Nc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C23H21N5O2/c1-4-12-30-20-11-7-10-19(14-20)27-23-24-15-16(3)22(28-23)26-18-9-6-8-17(13-18)25-21(29)5-2/h1,5-11,13-15H,2,12H2,3H3,(H,25,29)(H2,24,26,27,28)	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