BDBM50236548 CHEMBL4097535

SMILES: Oc1ccc(cc1)-c1cnc2[nH]cc(C(=O)Nc3cccc(O)c3)c2c1

InChI Key: InChIKey=CMLCCTPKLYKIJA-UHFFFAOYSA-N

Data: 3 IC50  1 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 4 hits for monomerid = 50236548   

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
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM50236548 (CHEMBL4097535) Show SMILES Oc1ccc(cc1)-c1cnc2[nH]cc(C(=O)Nc3cccc(O)c3)c2c1 Show InChI InChI=1S/C20H15N3O3/c24-15-6-4-12(5-7-15)13-8-17-18(11-22-19(17)21-10-13)20(26)23-14-2-1-3-16(25)9-14/h1-11,24-25H,(H,21,22)(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
QIMR Berghofer Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of DYRK1A (unknown origin) using woodtide as substrate after 10 mins in presence of [gamma-33P]ATP by microbeta scintillation counting				J Med Chem 60: 2052-2070 (2017) Article DOI: 10.1021/acs.jmedchem.6b01840 BindingDB Entry DOI: 10.7270/Q2ST7S3J
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4 (Homo sapiens (Human))	BDBM50236548 (CHEMBL4097535) Show SMILES Oc1ccc(cc1)-c1cnc2[nH]cc(C(=O)Nc3cccc(O)c3)c2c1 Show InChI InChI=1S/C20H15N3O3/c24-15-6-4-12(5-7-15)13-8-17-18(11-22-19(17)21-10-13)20(26)23-14-2-1-3-16(25)9-14/h1-11,24-25H,(H,21,22)(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a
QIMR Berghofer Medical Research Institute Curated by ChEMBL					Assay Description Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				J Med Chem 60: 2052-2070 (2017) Article DOI: 10.1021/acs.jmedchem.6b01840 BindingDB Entry DOI: 10.7270/Q2ST7S3J
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50236548 (CHEMBL4097535) Show SMILES Oc1ccc(cc1)-c1cnc2[nH]cc(C(=O)Nc3cccc(O)c3)c2c1 Show InChI InChI=1S/C20H15N3O3/c24-15-6-4-12(5-7-15)13-8-17-18(11-22-19(17)21-10-13)20(26)23-14-2-1-3-16(25)9-14/h1-11,24-25H,(H,21,22)(H,23,26)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
QIMR Berghofer Medical Research Institute Curated by ChEMBL					Assay Description Agonist activity to the human androgen receptor (hAR) in CV-1 cells				J Med Chem 60: 2052-2070 (2017) Article DOI: 10.1021/acs.jmedchem.6b01840 BindingDB Entry DOI: 10.7270/Q2ST7S3J
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2 (Homo sapiens (Human))	BDBM50236548 (CHEMBL4097535) Show SMILES Oc1ccc(cc1)-c1cnc2[nH]cc(C(=O)Nc3cccc(O)c3)c2c1 Show InChI InChI=1S/C20H15N3O3/c24-15-6-4-12(5-7-15)13-8-17-18(11-22-19(17)21-10-13)20(26)23-14-2-1-3-16(25)9-14/h1-11,24-25H,(H,21,22)(H,23,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
QIMR Berghofer Medical Research Institute Curated by ChEMBL					Assay Description Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay				J Med Chem 60: 2052-2070 (2017) Article DOI: 10.1021/acs.jmedchem.6b01840 BindingDB Entry DOI: 10.7270/Q2ST7S3J
					More data for this Ligand-Target Pair