BDBM50276666 CHEMBL4166664

SMILES: Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-n1cccn1

InChI Key: InChIKey=SVIHDEUPJUWZRH-UHFFFAOYSA-N

Data: 1 KI  4 IC50  4 EC50

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 9 hits for monomerid = 50276666   

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))	BDBM50276666 (CHEMBL4166664) Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-n1cccn1 Show InChI InChI=1S/C25H19N5O2/c1-3-23(31)28-22-14-19(7-5-16(22)2)30-24(32)10-6-17-15-26-21-9-8-18(13-20(21)25(17)30)29-12-4-11-27-29/h3-15H,1H2,2H3,(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Irreversible inhibition of recombinant full length His-tagged human BTK expressed in baculovirus expression system using poly (4:1 Glu, Tyr) as subst...				Eur J Med Chem 137: 545-557 (2017) Article DOI: 10.1016/j.ejmech.2017.06.016 BindingDB Entry DOI: 10.7270/Q2NG4T51
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50276666 (CHEMBL4166664) Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-n1cccn1 Show InChI InChI=1S/C25H19N5O2/c1-3-23(31)28-22-14-19(7-5-16(22)2)30-24(32)10-6-17-15-26-21-9-8-18(13-20(21)25(17)30)29-12-4-11-27-29/h3-15H,1H2,2H3,(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of BTK autophosphorylation at Y223 in anti-IgM stimulated human Ramos cells after 4 hrs by chemiluminescence assay				Eur J Med Chem 137: 545-557 (2017) Article DOI: 10.1016/j.ejmech.2017.06.016 BindingDB Entry DOI: 10.7270/Q2NG4T51
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50276666 (CHEMBL4166664) Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-n1cccn1 Show InChI InChI=1S/C25H19N5O2/c1-3-23(31)28-22-14-19(7-5-16(22)2)30-24(32)10-6-17-15-26-21-9-8-18(13-20(21)25(17)30)29-12-4-11-27-29/h3-15H,1H2,2H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human JAK3 expressed in baculovirus expression system using poly (4:1 Glu, Tyr) as substrate preincubated for 1 ...				Eur J Med Chem 137: 545-557 (2017) Article DOI: 10.1016/j.ejmech.2017.06.016 BindingDB Entry DOI: 10.7270/Q2NG4T51
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM50276666 (CHEMBL4166664) Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-n1cccn1 Show InChI InChI=1S/C25H19N5O2/c1-3-23(31)28-22-14-19(7-5-16(22)2)30-24(32)10-6-17-15-26-21-9-8-18(13-20(21)25(17)30)29-12-4-11-27-29/h3-15H,1H2,2H3,(H,28,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human BLK expressed in baculovirus expression system using poly (4:1 Glu, Tyr) as substrate preincub...				Eur J Med Chem 137: 545-557 (2017) Article DOI: 10.1016/j.ejmech.2017.06.016 BindingDB Entry DOI: 10.7270/Q2NG4T51
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50276666 (CHEMBL4166664) Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-n1cccn1 Show InChI InChI=1S/C25H19N5O2/c1-3-23(31)28-22-14-19(7-5-16(22)2)30-24(32)10-6-17-15-26-21-9-8-18(13-20(21)25(17)30)29-12-4-11-27-29/h3-15H,1H2,2H3,(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<3.00E+3	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of BTK autophosphorylation at Y223 in anti-IgM stimulated human Pfeiffer cells after 4 hrs by chemiluminescence assay				Eur J Med Chem 137: 545-557 (2017) Article DOI: 10.1016/j.ejmech.2017.06.016 BindingDB Entry DOI: 10.7270/Q2NG4T51
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50276666 (CHEMBL4166664) Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-n1cccn1 Show InChI InChI=1S/C25H19N5O2/c1-3-23(31)28-22-14-19(7-5-16(22)2)30-24(32)10-6-17-15-26-21-9-8-18(13-20(21)25(17)30)29-12-4-11-27-29/h3-15H,1H2,2H3,(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human BTK expressed in baculovirus expression system using poly (4:1 Glu, Tyr) as substrate preincub...				Eur J Med Chem 137: 545-557 (2017) Article DOI: 10.1016/j.ejmech.2017.06.016 BindingDB Entry DOI: 10.7270/Q2NG4T51
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50276666 (CHEMBL4166664) Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-n1cccn1 Show InChI InChI=1S/C25H19N5O2/c1-3-23(31)28-22-14-19(7-5-16(22)2)30-24(32)10-6-17-15-26-21-9-8-18(13-20(21)25(17)30)29-12-4-11-27-29/h3-15H,1H2,2H3,(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of BTK in anti-IgM stimulated human Ramos cells assessed as decrease in PLCgamma2 phosphorylation at Y1217 after 4 hrs by chemiluminescenc...				Eur J Med Chem 137: 545-557 (2017) Article DOI: 10.1016/j.ejmech.2017.06.016 BindingDB Entry DOI: 10.7270/Q2NG4T51
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50276666 (CHEMBL4166664) Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-n1cccn1 Show InChI InChI=1S/C25H19N5O2/c1-3-23(31)28-22-14-19(7-5-16(22)2)30-24(32)10-6-17-15-26-21-9-8-18(13-20(21)25(17)30)29-12-4-11-27-29/h3-15H,1H2,2H3,(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of BTK autophosphorylation at Y223 in anti-IgM stimulated human MOLM13 cells after 4 hrs by chemiluminescence assay				Eur J Med Chem 137: 545-557 (2017) Article DOI: 10.1016/j.ejmech.2017.06.016 BindingDB Entry DOI: 10.7270/Q2NG4T51
					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM50276666 (CHEMBL4166664) Show SMILES Cc1ccc(cc1NC(=O)C=C)-n1c2c(ccc1=O)cnc1ccc(cc21)-n1cccn1 Show InChI InChI=1S/C25H19N5O2/c1-3-23(31)28-22-14-19(7-5-16(22)2)30-24(32)10-6-17-15-26-21-9-8-18(13-20(21)25(17)30)29-12-4-11-27-29/h3-15H,1H2,2H3,(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human BMX expressed in baculovirus expression system using poly (4:1 Glu, Tyr) as substrate preincub...				Eur J Med Chem 137: 545-557 (2017) Article DOI: 10.1016/j.ejmech.2017.06.016 BindingDB Entry DOI: 10.7270/Q2NG4T51
					More data for this Ligand-Target Pair