BDBM50257387 CHEMBL4075063

SMILES: O=C(NCCCc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1

InChI Key: InChIKey=QCDDREXJCIDOSP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50257387   

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
PKC alpha and beta-2 (Homo sapiens (Human))	BDBM50257387 (CHEMBL4075063) Show SMILES O=C(NCCCc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1 Show InChI InChI=1S/C24H24N6O/c31-24(26-13-5-8-18-6-2-1-3-7-18)20-9-4-10-21(16-20)27-17-22-28-23(30-29-22)19-11-14-25-15-12-19/h1-4,6-7,9-12,14-16,27H,5,8,13,17H2,(H,26,31)(H,28,29,30)	PDB MMDB NCI pathway 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
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human PKCalpha active using MBP as substrate after 60 mins in presence of [gamma-32]ATP by scintillation counting				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257387 (CHEMBL4075063) Show SMILES O=C(NCCCc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1 Show InChI InChI=1S/C24H24N6O/c31-24(26-13-5-8-18-6-2-1-3-7-18)20-9-4-10-21(16-20)27-17-22-28-23(30-29-22)19-11-14-25-15-12-19/h1-4,6-7,9-12,14-16,27H,5,8,13,17H2,(H,26,31)(H,28,29,30)	PDB MMDB 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	23	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50257387 (CHEMBL4075063) Show SMILES O=C(NCCCc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1 Show InChI InChI=1S/C24H24N6O/c31-24(26-13-5-8-18-6-2-1-3-7-18)20-9-4-10-21(16-20)27-17-22-28-23(30-29-22)19-11-14-25-15-12-19/h1-4,6-7,9-12,14-16,27H,5,8,13,17H2,(H,26,31)(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ROCK2 catalytic domain (1 to 553 residues) expressed in baculovirus expression system using STK...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair