null

SMILES: Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12

InChI Key: InChIKey=OWAWOKKHZNRHGV-UHFFFAOYSA-N

PDB links: 3 PDB IDs match this monomer.

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 69 hits for monomerid = 50363167   

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
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50363167 (CHEMBL1945559) Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12 Show InChI InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians University of Munich Curated by ChEMBL					Assay Description Inhibition of IGF1R using ATP as substrate				J Med Chem 55: 403-13 (2012) Article DOI: 10.1021/jm201286z BindingDB Entry DOI: 10.7270/Q20G3KK7
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50363167 (CHEMBL1945559) Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12 Show InChI InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians University of Munich Curated by ChEMBL					Assay Description Inhibition of IRAK4 using ATP as substrate				J Med Chem 55: 403-13 (2012) Article DOI: 10.1021/jm201286z BindingDB Entry DOI: 10.7270/Q20G3KK7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50363167 (CHEMBL1945559) Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12 Show InChI InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians University of Munich Curated by ChEMBL					Assay Description Inhibition of JAK1 using ATP as substrate				J Med Chem 55: 403-13 (2012) Article DOI: 10.1021/jm201286z BindingDB Entry DOI: 10.7270/Q20G3KK7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50363167 (CHEMBL1945559) Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12 Show InChI InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians University of Munich Curated by ChEMBL					Assay Description Inhibition of JAK2 using ATP as substrate				J Med Chem 55: 403-13 (2012) Article DOI: 10.1021/jm201286z BindingDB Entry DOI: 10.7270/Q20G3KK7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50363167 (CHEMBL1945559) Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12 Show InChI InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians University of Munich Curated by ChEMBL					Assay Description Inhibition of JAK3 using ATP as substrate				J Med Chem 55: 403-13 (2012) Article DOI: 10.1021/jm201286z BindingDB Entry DOI: 10.7270/Q20G3KK7
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50363167 (CHEMBL1945559) Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12 Show InChI InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians University of Munich Curated by ChEMBL					Assay Description Inhibition of KDR using ATP as substrate				J Med Chem 55: 403-13 (2012) Article DOI: 10.1021/jm201286z BindingDB Entry DOI: 10.7270/Q20G3KK7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50363167 (CHEMBL1945559) Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12 Show InChI InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians University of Munich Curated by ChEMBL					Assay Description Inhibition of LCK using ATP as substrate				J Med Chem 55: 403-13 (2012) Article DOI: 10.1021/jm201286z BindingDB Entry DOI: 10.7270/Q20G3KK7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50363167 (CHEMBL1945559) Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12 Show InChI InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians University of Munich Curated by ChEMBL					Assay Description Inhibition of LYN using ATP as substrate				J Med Chem 55: 403-13 (2012) Article DOI: 10.1021/jm201286z BindingDB Entry DOI: 10.7270/Q20G3KK7
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50363167 (CHEMBL1945559) Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12 Show InChI InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians University of Munich Curated by ChEMBL					Assay Description Inhibition of MK2 using ATP as substrate				J Med Chem 55: 403-13 (2012) Article DOI: 10.1021/jm201286z BindingDB Entry DOI: 10.7270/Q20G3KK7
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 5 (Homo sapiens (Human))	BDBM50363167 (CHEMBL1945559) Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12 Show InChI InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians University of Munich Curated by ChEMBL					Assay Description Inhibition of MK5 using ATP as substrate				J Med Chem 55: 403-13 (2012) Article DOI: 10.1021/jm201286z BindingDB Entry DOI: 10.7270/Q20G3KK7
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50363167 (CHEMBL1945559) Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12 Show InChI InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians University of Munich Curated by ChEMBL					Assay Description Inhibition of mTOR using ATP as substrate				J Med Chem 55: 403-13 (2012) Article DOI: 10.1021/jm201286z BindingDB Entry DOI: 10.7270/Q20G3KK7
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50363167 (CHEMBL1945559) Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12 Show InChI InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians University of Munich Curated by ChEMBL					Assay Description Inhibition of p38alpha using ATP as substrate				J Med Chem 55: 403-13 (2012) Article DOI: 10.1021/jm201286z BindingDB Entry DOI: 10.7270/Q20G3KK7
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 2 (Homo sapiens (Human))	BDBM50363167 (CHEMBL1945559) Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12 Show InChI InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians University of Munich Curated by ChEMBL					Assay Description Inhibition of PAK2 using ATP as substrate				J Med Chem 55: 403-13 (2012) Article DOI: 10.1021/jm201286z BindingDB Entry DOI: 10.7270/Q20G3KK7
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50363167 (CHEMBL1945559) Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12 Show InChI InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians University of Munich Curated by ChEMBL					Assay Description Inhibition of PDGFRalpha using ATP as substrate				J Med Chem 55: 403-13 (2012) Article DOI: 10.1021/jm201286z BindingDB Entry DOI: 10.7270/Q20G3KK7
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50363167 (CHEMBL1945559) Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12 Show InChI InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians University of Munich Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha using ATP as substrate				J Med Chem 55: 403-13 (2012) Article DOI: 10.1021/jm201286z BindingDB Entry DOI: 10.7270/Q20G3KK7
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50363167 (CHEMBL1945559) Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12 Show InChI InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians University of Munich Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta using ATP as substrate				J Med Chem 55: 403-13 (2012) Article DOI: 10.1021/jm201286z BindingDB Entry DOI: 10.7270/Q20G3KK7
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50363167 (CHEMBL1945559) Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12 Show InChI InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians University of Munich Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta using ATP as substrate				J Med Chem 55: 403-13 (2012) Article DOI: 10.1021/jm201286z BindingDB Entry DOI: 10.7270/Q20G3KK7
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50363167 (CHEMBL1945559) Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12 Show InChI InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians University of Munich Curated by ChEMBL					Assay Description Inhibition of PIM1 using ATP as substrate				J Med Chem 55: 403-13 (2012) Article DOI: 10.1021/jm201286z BindingDB Entry DOI: 10.7270/Q20G3KK7
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50363167 (CHEMBL1945559) Show SMILES Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12 Show InChI InChI=1S/C17H16Cl2N4O/c1-23-14-9(2-3-11(18)13(14)19)12-10(8-20)17(4-6-21-7-5-17)22-16(24)15(12)23/h2-3,10,21H,4-7H2,1H3,(H,22,24)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians University of Munich Curated by ChEMBL					Assay Description Inhibition of PIM3 using ATP as substrate				J Med Chem 55: 403-13 (2012) Article DOI: 10.1021/jm201286z BindingDB Entry DOI: 10.7270/Q20G3KK7
					More data for this Ligand-Target Pair