BDBM50418245 CHEMBL1765734

SMILES: Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCC[C@@H](C1)C(=O)NC1CCCCC1

InChI Key: InChIKey=PKLONJIIVGGTJL-HNNXBMFYSA-N

Data: 5 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 5 hits for monomerid = 50418245   

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
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50418245 (CHEMBL1765734) Show SMILES Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCC[C@@H](C1)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C23H30N8O/c24-21-17-9-8-14(11-19(17)29-30-21)18-12-20(28-23(25)27-18)31-10-4-5-15(13-31)22(32)26-16-6-2-1-3-7-16/h8-9,11-12,15-16H,1-7,10,13H2,(H,26,32)(H3,24,29,30)(H2,25,27,28)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ALK5				J Med Chem 54: 1871-95 (2011) Article DOI: 10.1021/jm101527u BindingDB Entry DOI: 10.7270/Q2HQ406Q
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50418245 (CHEMBL1765734) Show SMILES Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCC[C@@H](C1)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C23H30N8O/c24-21-17-9-8-14(11-19(17)29-30-21)18-12-20(28-23(25)27-18)31-10-4-5-15(13-31)22(32)26-16-6-2-1-3-7-16/h8-9,11-12,15-16H,1-7,10,13H2,(H,26,32)(H3,24,29,30)(H2,25,27,28)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ROCK1				J Med Chem 54: 1871-95 (2011) Article DOI: 10.1021/jm101527u BindingDB Entry DOI: 10.7270/Q2HQ406Q
					More data for this Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM50418245 (CHEMBL1765734) Show SMILES Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCC[C@@H](C1)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C23H30N8O/c24-21-17-9-8-14(11-19(17)29-30-21)18-12-20(28-23(25)27-18)31-10-4-5-15(13-31)22(32)26-16-6-2-1-3-7-16/h8-9,11-12,15-16H,1-7,10,13H2,(H,26,32)(H3,24,29,30)(H2,25,27,28)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PDK1-mediated AKT phosphorylation at Thr308 residue in human PC3 cells by ELISA				J Med Chem 54: 1871-95 (2011) Article DOI: 10.1021/jm101527u BindingDB Entry DOI: 10.7270/Q2HQ406Q
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50418245 (CHEMBL1765734) Show SMILES Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCC[C@@H](C1)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C23H30N8O/c24-21-17-9-8-14(11-19(17)29-30-21)18-12-20(28-23(25)27-18)31-10-4-5-15(13-31)22(32)26-16-6-2-1-3-7-16/h8-9,11-12,15-16H,1-7,10,13H2,(H,26,32)(H3,24,29,30)(H2,25,27,28)/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of aurora B				J Med Chem 54: 1871-95 (2011) Article DOI: 10.1021/jm101527u BindingDB Entry DOI: 10.7270/Q2HQ406Q
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50418245 (CHEMBL1765734) Show SMILES Nc1n[nH]c2cc(ccc12)-c1cc(nc(N)n1)N1CCC[C@@H](C1)C(=O)NC1CCCCC1 |r| Show InChI InChI=1S/C23H30N8O/c24-21-17-9-8-14(11-19(17)29-30-21)18-12-20(28-23(25)27-18)31-10-4-5-15(13-31)22(32)26-16-6-2-1-3-7-16/h8-9,11-12,15-16H,1-7,10,13H2,(H,26,32)(H3,24,29,30)(H2,25,27,28)/t15-/m0/s1	PDB MMDB NCI pathway 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+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of aurora A				J Med Chem 54: 1871-95 (2011) Article DOI: 10.1021/jm101527u BindingDB Entry DOI: 10.7270/Q2HQ406Q
					More data for this Ligand-Target Pair