BDBM50261794 CHEMBL4065693

SMILES: NC(=O)c1cnc(Nc2ccccc2)cc1NCc1cccc(NC(=O)C=C)c1

InChI Key: InChIKey=SAOLOOUJAPMGFO-UHFFFAOYSA-N

Data: 11 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 15 hits for monomerid = 50261794   

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 JAK2 (Homo sapiens (Human))	BDBM50261794 (CHEMBL4065693) Show SMILES NC(=O)c1cnc(Nc2ccccc2)cc1NCc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H21N5O2/c1-2-21(28)27-17-10-6-7-15(11-17)13-24-19-12-20(25-14-18(19)22(23)29)26-16-8-4-3-5-9-16/h2-12,14H,1,13H2,(H2,23,29)(H,27,28)(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development, Princeton, NJ 08543-4000, USA. Electronic address: james.kempson@bms.com. Curated by ChEMBL					Assay Description Inhibition of JAK2 in human TF1 cells assessed as reduction in EPO-induced STAT5A phosphorylation pretreated for 30 mins followed by EPO addition mea...				Bioorg Med Chem Lett 27: 4622-4625 (2017) Article DOI: 10.1016/j.bmcl.2017.09.023 BindingDB Entry DOI: 10.7270/Q2X069HQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50261794 (CHEMBL4065693) Show SMILES NC(=O)c1cnc(Nc2ccccc2)cc1NCc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H21N5O2/c1-2-21(28)27-17-10-6-7-15(11-17)13-24-19-12-20(25-14-18(19)22(23)29)26-16-8-4-3-5-9-16/h2-12,14H,1,13H2,(H2,23,29)(H,27,28)(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development, Princeton, NJ 08543-4000, USA. Electronic address: james.kempson@bms.com. Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 (unknown origin) using fluoresceinated peptide as substrate after 3 hrs by caliper assay				Bioorg Med Chem Lett 27: 4622-4625 (2017) Article DOI: 10.1016/j.bmcl.2017.09.023 BindingDB Entry DOI: 10.7270/Q2X069HQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50261794 (CHEMBL4065693) Show SMILES NC(=O)c1cnc(Nc2ccccc2)cc1NCc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H21N5O2/c1-2-21(28)27-17-10-6-7-15(11-17)13-24-19-12-20(25-14-18(19)22(23)29)26-16-8-4-3-5-9-16/h2-12,14H,1,13H2,(H2,23,29)(H,27,28)(H2,24,25,26)	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	2.89E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development, Princeton, NJ 08543-4000, USA. Electronic address: james.kempson@bms.com. Curated by ChEMBL					Assay Description Inhibition of full length human His-tagged BTK expressed in baculovirus expression system using GEEPLYWSFPAKKK-NH2 as substrate pretreated for 45 min...				Bioorg Med Chem Lett 27: 4622-4625 (2017) Article DOI: 10.1016/j.bmcl.2017.09.023 BindingDB Entry DOI: 10.7270/Q2X069HQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50261794 (CHEMBL4065693) Show SMILES NC(=O)c1cnc(Nc2ccccc2)cc1NCc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H21N5O2/c1-2-21(28)27-17-10-6-7-15(11-17)13-24-19-12-20(25-14-18(19)22(23)29)26-16-8-4-3-5-9-16/h2-12,14H,1,13H2,(H2,23,29)(H,27,28)(H2,24,25,26)	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	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development, Princeton, NJ 08543-4000, USA. Electronic address: james.kempson@bms.com. Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma32P]ATP by top-count liquid scintillation counting ...				Bioorg Med Chem Lett 27: 4622-4625 (2017) Article DOI: 10.1016/j.bmcl.2017.09.023 BindingDB Entry DOI: 10.7270/Q2X069HQ
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50261794 (CHEMBL4065693) Show SMILES NC(=O)c1cnc(Nc2ccccc2)cc1NCc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H21N5O2/c1-2-21(28)27-17-10-6-7-15(11-17)13-24-19-12-20(25-14-18(19)22(23)29)26-16-8-4-3-5-9-16/h2-12,14H,1,13H2,(H2,23,29)(H,27,28)(H2,24,25,26)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development, Princeton, NJ 08543-4000, USA. Electronic address: james.kempson@bms.com. Curated by ChEMBL					Assay Description Inhibition of His-tagged TYK2 (unknown origin) using fluoresceinated peptide as substrate after 3 hrs by caliper assay				Bioorg Med Chem Lett 27: 4622-4625 (2017) Article DOI: 10.1016/j.bmcl.2017.09.023 BindingDB Entry DOI: 10.7270/Q2X069HQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50261794 (CHEMBL4065693) Show SMILES NC(=O)c1cnc(Nc2ccccc2)cc1NCc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H21N5O2/c1-2-21(28)27-17-10-6-7-15(11-17)13-24-19-12-20(25-14-18(19)22(23)29)26-16-8-4-3-5-9-16/h2-12,14H,1,13H2,(H2,23,29)(H,27,28)(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development, Princeton, NJ 08543-4000, USA. Electronic address: james.kempson@bms.com. Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK1 (unknown origin) using fluoresceinated peptide as substrate after 3 hrs by caliper assay				Bioorg Med Chem Lett 27: 4622-4625 (2017) Article DOI: 10.1016/j.bmcl.2017.09.023 BindingDB Entry DOI: 10.7270/Q2X069HQ
					More data for this Ligand-Target Pair
Macrophage colony stimulating factor receptor (Homo sapiens (Human))	BDBM50261794 (CHEMBL4065693) Show SMILES NC(=O)c1cnc(Nc2ccccc2)cc1NCc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H21N5O2/c1-2-21(28)27-17-10-6-7-15(11-17)13-24-19-12-20(25-14-18(19)22(23)29)26-16-8-4-3-5-9-16/h2-12,14H,1,13H2,(H2,23,29)(H,27,28)(H2,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development, Princeton, NJ 08543-4000, USA. Electronic address: james.kempson@bms.com. Curated by ChEMBL					Assay Description Inhibition of FMS (unknown origin) by caliper assay				Bioorg Med Chem Lett 27: 4622-4625 (2017) Article DOI: 10.1016/j.bmcl.2017.09.023 BindingDB Entry DOI: 10.7270/Q2X069HQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50261794 (CHEMBL4065693) Show SMILES NC(=O)c1cnc(Nc2ccccc2)cc1NCc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H21N5O2/c1-2-21(28)27-17-10-6-7-15(11-17)13-24-19-12-20(25-14-18(19)22(23)29)26-16-8-4-3-5-9-16/h2-12,14H,1,13H2,(H2,23,29)(H,27,28)(H2,24,25,26)	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	1.58E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development, Princeton, NJ 08543-4000, USA. Electronic address: james.kempson@bms.com. Curated by ChEMBL					Assay Description Inhibition of full length human His-tagged BTK expressed in baculovirus expression system using GEEPLYWSFPAKKK-NH2 as substrate pretreated for 120 mi...				Bioorg Med Chem Lett 27: 4622-4625 (2017) Article DOI: 10.1016/j.bmcl.2017.09.023 BindingDB Entry DOI: 10.7270/Q2X069HQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50261794 (CHEMBL4065693) Show SMILES NC(=O)c1cnc(Nc2ccccc2)cc1NCc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H21N5O2/c1-2-21(28)27-17-10-6-7-15(11-17)13-24-19-12-20(25-14-18(19)22(23)29)26-16-8-4-3-5-9-16/h2-12,14H,1,13H2,(H2,23,29)(H,27,28)(H2,24,25,26)	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	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development, Princeton, NJ 08543-4000, USA. Electronic address: james.kempson@bms.com. Curated by ChEMBL					Assay Description Inhibition of full length human His-tagged BTK expressed in baculovirus expression system using GEEPLYWSFPAKKK-NH2 as substrate measured after 10 min...				Bioorg Med Chem Lett 27: 4622-4625 (2017) Article DOI: 10.1016/j.bmcl.2017.09.023 BindingDB Entry DOI: 10.7270/Q2X069HQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50261794 (CHEMBL4065693) Show SMILES NC(=O)c1cnc(Nc2ccccc2)cc1NCc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H21N5O2/c1-2-21(28)27-17-10-6-7-15(11-17)13-24-19-12-20(25-14-18(19)22(23)29)26-16-8-4-3-5-9-16/h2-12,14H,1,13H2,(H2,23,29)(H,27,28)(H2,24,25,26)	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	6.56E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development, Princeton, NJ 08543-4000, USA. Electronic address: james.kempson@bms.com. Curated by ChEMBL					Assay Description Inhibition of full length human His-tagged BTK expressed in baculovirus expression system using GEEPLYWSFPAKKK-NH2 as substrate pretreated for 15 min...				Bioorg Med Chem Lett 27: 4622-4625 (2017) Article DOI: 10.1016/j.bmcl.2017.09.023 BindingDB Entry DOI: 10.7270/Q2X069HQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50261794 (CHEMBL4065693) Show SMILES NC(=O)c1cnc(Nc2ccccc2)cc1NCc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H21N5O2/c1-2-21(28)27-17-10-6-7-15(11-17)13-24-19-12-20(25-14-18(19)22(23)29)26-16-8-4-3-5-9-16/h2-12,14H,1,13H2,(H2,23,29)(H,27,28)(H2,24,25,26)	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	1.98E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development, Princeton, NJ 08543-4000, USA. Electronic address: james.kempson@bms.com. Curated by ChEMBL					Assay Description Inhibition of full length human His-tagged BTK expressed in baculovirus expression system using GEEPLYWSFPAKKK-NH2 as substrate measured immediately ...				Bioorg Med Chem Lett 27: 4622-4625 (2017) Article DOI: 10.1016/j.bmcl.2017.09.023 BindingDB Entry DOI: 10.7270/Q2X069HQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50261794 (CHEMBL4065693) Show SMILES NC(=O)c1cnc(Nc2ccccc2)cc1NCc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H21N5O2/c1-2-21(28)27-17-10-6-7-15(11-17)13-24-19-12-20(25-14-18(19)22(23)29)26-16-8-4-3-5-9-16/h2-12,14H,1,13H2,(H2,23,29)(H,27,28)(H2,24,25,26)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development, Princeton, NJ 08543-4000, USA. Electronic address: james.kempson@bms.com. Curated by ChEMBL					Assay Description Inhibition of BTK in goat anti-human IgM F(ab')2-stimulated human whole blood assessed as suppression of BCR-induced CD69 expression on B cells after...				Bioorg Med Chem Lett 27: 4622-4625 (2017) Article DOI: 10.1016/j.bmcl.2017.09.023 BindingDB Entry DOI: 10.7270/Q2X069HQ
					More data for this Ligand-Target Pair
JAK1/TYK2 (Homo sapiens (Human))	BDBM50261794 (CHEMBL4065693) Show SMILES NC(=O)c1cnc(Nc2ccccc2)cc1NCc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H21N5O2/c1-2-21(28)27-17-10-6-7-15(11-17)13-24-19-12-20(25-14-18(19)22(23)29)26-16-8-4-3-5-9-16/h2-12,14H,1,13H2,(H2,23,29)(H,27,28)(H2,24,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development, Princeton, NJ 08543-4000, USA. Electronic address: james.kempson@bms.com. Curated by ChEMBL					Assay Description Inhibition of JAK1/TYK2 in human PBMC derived T cell assessed as reduction in IFNa2a-induced STAT3 phosphorylation after 30 mins by ELISA				Bioorg Med Chem Lett 27: 4622-4625 (2017) Article DOI: 10.1016/j.bmcl.2017.09.023 BindingDB Entry DOI: 10.7270/Q2X069HQ
					More data for this Ligand-Target Pair
JAK3/JAK1 (Homo sapiens (Human))	BDBM50261794 (CHEMBL4065693) Show SMILES NC(=O)c1cnc(Nc2ccccc2)cc1NCc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H21N5O2/c1-2-21(28)27-17-10-6-7-15(11-17)13-24-19-12-20(25-14-18(19)22(23)29)26-16-8-4-3-5-9-16/h2-12,14H,1,13H2,(H2,23,29)(H,27,28)(H2,24,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development, Princeton, NJ 08543-4000, USA. Electronic address: james.kempson@bms.com. Curated by ChEMBL					Assay Description Inhibition of JAK1/JAK3 in human PBMC derived T cell assessed as reduction in IL2-induced STAT3 phosphorylation after 30 mins by ELISA				Bioorg Med Chem Lett 27: 4622-4625 (2017) Article DOI: 10.1016/j.bmcl.2017.09.023 BindingDB Entry DOI: 10.7270/Q2X069HQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50261794 (CHEMBL4065693) Show SMILES NC(=O)c1cnc(Nc2ccccc2)cc1NCc1cccc(NC(=O)C=C)c1 Show InChI InChI=1S/C22H21N5O2/c1-2-21(28)27-17-10-6-7-15(11-17)13-24-19-12-20(25-14-18(19)22(23)29)26-16-8-4-3-5-9-16/h2-12,14H,1,13H2,(H2,23,29)(H,27,28)(H2,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt 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
Bristol-Myers Squibb Research and Development, Princeton, NJ 08543-4000, USA. Electronic address: james.kempson@bms.com. Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) by caliper assay				Bioorg Med Chem Lett 27: 4622-4625 (2017) Article DOI: 10.1016/j.bmcl.2017.09.023 BindingDB Entry DOI: 10.7270/Q2X069HQ
					More data for this Ligand-Target Pair