BDBM50253708 CHEMBL4070822

SMILES: Cl.Cl.CNCc1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C

InChI Key: InChIKey=RZOJZJRWLORLPN-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 = 50253708   

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))	BDBM50253708 (CHEMBL4070822) Show SMILES Cl.Cl.CNCc1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C Show InChI InChI=1S/C12H13N5OS/c1-6-7(4-14-17-6)9-3-8-11(19-9)12(18)16-10(15-8)5-13-2/h3-4,13H,5H2,1-2H3,(H,14,17)(H,15,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	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
CDK2/CycE (Homo sapiens (Human))	BDBM50253708 (CHEMBL4070822) Show SMILES Cl.Cl.CNCc1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C Show InChI InChI=1S/C12H13N5OS/c1-6-7(4-14-17-6)9-3-8-11(19-9)12(18)16-10(15-8)5-13-2/h3-4,13H,5H2,1-2H3,(H,14,17)(H,15,16,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30E+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
CDC7 and DBF4 (Homo sapiens (Human))	BDBM50253708 (CHEMBL4070822) Show SMILES Cl.Cl.CNCc1nc2cc(sc2c(=O)[nH]1)-c1c[nH]nc1C Show InChI InChI=1S/C12H13N5OS/c1-6-7(4-14-17-6)9-3-8-11(19-9)12(18)16-10(15-8)5-13-2/h3-4,13H,5H2,1-2H3,(H,14,17)(H,15,16,18)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	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