BDBM50253707 CHEMBL4091694

SMILES: OC(=O)C(F)(F)F.Cc1n[nH]cc1-c1cc2nc(CNCc3ccccc3)[nH]c(=O)c2s1

InChI Key: InChIKey=UARZOXDUCZYRLS-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 = 50253707   

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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50253707 (CHEMBL4091694) Show SMILES OC(=O)C(F)(F)F.Cc1n[nH]cc1-c1cc2nc(CNCc3ccccc3)[nH]c(=O)c2s1 Show InChI InChI=1S/C18H17N5OS/c1-11-13(9-20-23-11)15-7-14-17(25-15)18(24)22-16(21-14)10-19-8-12-5-3-2-4-6-12/h2-7,9,19H,8,10H2,1H3,(H,20,23)(H,21,22,24)	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	610	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ROCK1 catalytic domain (1 to 477 residues) expressed in baculovirus expression system using Bio...				Bioorg Med Chem 25: 3658-3670 (2017) Article DOI: 10.1016/j.bmc.2017.04.044 BindingDB Entry DOI: 10.7270/Q26H4KTZ
					More data for this Ligand-Target Pair
CDC7 and DBF4 (Homo sapiens (Human))	BDBM50253707 (CHEMBL4091694) Show SMILES OC(=O)C(F)(F)F.Cc1n[nH]cc1-c1cc2nc(CNCc3ccccc3)[nH]c(=O)c2s1 Show InChI InChI=1S/C18H17N5OS/c1-11-13(9-20-23-11)15-7-14-17(25-15)18(24)22-16(21-14)10-19-8-12-5-3-2-4-6-12/h2-7,9,19H,8,10H2,1H3,(H,20,23)(H,21,22,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length Cdc7 (1 to 574 residues)/human N-terminal GST-tagged ASK (1 to 674 residues) expressed in baculovirus exp...				Bioorg Med Chem 25: 3658-3670 (2017) Article DOI: 10.1016/j.bmc.2017.04.044 BindingDB Entry DOI: 10.7270/Q26H4KTZ
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM50253707 (CHEMBL4091694) Show SMILES OC(=O)C(F)(F)F.Cc1n[nH]cc1-c1cc2nc(CNCc3ccccc3)[nH]c(=O)c2s1 Show InChI InChI=1S/C18H17N5OS/c1-11-13(9-20-23-11)15-7-14-17(25-15)18(24)22-16(21-14)10-19-8-12-5-3-2-4-6-12/h2-7,9,19H,8,10H2,1H3,(H,20,23)(H,21,22,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibition of full length human CDC2 (1 to 298 residues)/human N-terminal GST-tagged CyclinE1 (1 to 410 residues) expressed in baculovirus expression...				Bioorg Med Chem 25: 3658-3670 (2017) Article DOI: 10.1016/j.bmc.2017.04.044 BindingDB Entry DOI: 10.7270/Q26H4KTZ
					More data for this Ligand-Target Pair