BDBM50450842 CHEMBL4213805

SMILES: Cc1n[nH]cc1-c1cc2N[C@]3(CC[C@](O)(CC3)c3ccc(F)cc3)NC(=O)c2s1

InChI Key: InChIKey=NCRZDERILSVITP-OYRHEFFESA-N

Data: 4 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 4 hits for monomerid = 50450842   

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
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50450842 (CHEMBL4213805) Show SMILES Cc1n[nH]cc1-c1cc2N[C@]3(CC[C@](O)(CC3)c3ccc(F)cc3)NC(=O)c2s1 |r,wU:10.11,wD:13.18,(40.37,-51.96,;39.89,-50.5,;38.42,-50.02,;38.42,-48.48,;39.89,-48.01,;40.79,-49.25,;42.33,-49.24,;43.25,-50.5,;44.72,-50.02,;46.04,-50.78,;47.37,-50.02,;47.36,-51.56,;48.68,-52.33,;50.02,-51.57,;51.56,-51.57,;50.03,-50.03,;48.7,-49.25,;50.79,-52.9,;50.02,-54.23,;50.79,-55.57,;52.33,-55.57,;53.1,-56.89,;53.1,-54.22,;52.33,-52.9,;47.37,-48.48,;46.04,-47.7,;46.05,-46.16,;44.72,-48.47,;43.25,-48,)| Show InChI InChI=1S/C21H21FN4O2S/c1-12-15(11-23-26-12)17-10-16-18(29-17)19(27)25-21(24-16)8-6-20(28,7-9-21)13-2-4-14(22)5-3-13/h2-5,10-11,24,28H,6-9H2,1H3,(H,23,26)(H,25,27)/t20-,21+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of Cdc7 in human HeLa cells assessed as reduction in MCM2 phosphorylation at ser40 residues after 7 hrs by Western blot analysis				Bioorg Med Chem 25: 2133-2147 (2017) Article DOI: 10.1016/j.bmc.2017.02.021 BindingDB Entry DOI: 10.7270/Q29P3477
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50450842 (CHEMBL4213805) Show SMILES Cc1n[nH]cc1-c1cc2N[C@]3(CC[C@](O)(CC3)c3ccc(F)cc3)NC(=O)c2s1 |r,wU:10.11,wD:13.18,(40.37,-51.96,;39.89,-50.5,;38.42,-50.02,;38.42,-48.48,;39.89,-48.01,;40.79,-49.25,;42.33,-49.24,;43.25,-50.5,;44.72,-50.02,;46.04,-50.78,;47.37,-50.02,;47.36,-51.56,;48.68,-52.33,;50.02,-51.57,;51.56,-51.57,;50.03,-50.03,;48.7,-49.25,;50.79,-52.9,;50.02,-54.23,;50.79,-55.57,;52.33,-55.57,;53.1,-56.89,;53.1,-54.22,;52.33,-52.9,;47.37,-48.48,;46.04,-47.7,;46.05,-46.16,;44.72,-48.47,;43.25,-48,)| Show InChI InChI=1S/C21H21FN4O2S/c1-12-15(11-23-26-12)17-10-16-18(29-17)19(27)25-21(24-16)8-6-20(28,7-9-21)13-2-4-14(22)5-3-13/h2-5,10-11,24,28H,6-9H2,1H3,(H,23,26)(H,25,27)/t20-,21+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human Cdk2 (1 to 298 residues)/human N-terminal GST-tagged cyclinE (1 to 410 residues) expressed in baculovirus expression ...				Bioorg Med Chem 25: 2133-2147 (2017) Article DOI: 10.1016/j.bmc.2017.02.021 BindingDB Entry DOI: 10.7270/Q29P3477
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50450842 (CHEMBL4213805) Show SMILES Cc1n[nH]cc1-c1cc2N[C@]3(CC[C@](O)(CC3)c3ccc(F)cc3)NC(=O)c2s1 |r,wU:10.11,wD:13.18,(40.37,-51.96,;39.89,-50.5,;38.42,-50.02,;38.42,-48.48,;39.89,-48.01,;40.79,-49.25,;42.33,-49.24,;43.25,-50.5,;44.72,-50.02,;46.04,-50.78,;47.37,-50.02,;47.36,-51.56,;48.68,-52.33,;50.02,-51.57,;51.56,-51.57,;50.03,-50.03,;48.7,-49.25,;50.79,-52.9,;50.02,-54.23,;50.79,-55.57,;52.33,-55.57,;53.1,-56.89,;53.1,-54.22,;52.33,-52.9,;47.37,-48.48,;46.04,-47.7,;46.05,-46.16,;44.72,-48.47,;43.25,-48,)| Show InChI InChI=1S/C21H21FN4O2S/c1-12-15(11-23-26-12)17-10-16-18(29-17)19(27)25-21(24-16)8-6-20(28,7-9-21)13-2-4-14(22)5-3-13/h2-5,10-11,24,28H,6-9H2,1H3,(H,23,26)(H,25,27)/t20-,21+	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	820	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged ROCK1 (1 to 477 residues) expressed in baculovirus expression system using biotin-STK substrate...				Bioorg Med Chem 25: 2133-2147 (2017) Article DOI: 10.1016/j.bmc.2017.02.021 BindingDB Entry DOI: 10.7270/Q29P3477
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50450842 (CHEMBL4213805) Show SMILES Cc1n[nH]cc1-c1cc2N[C@]3(CC[C@](O)(CC3)c3ccc(F)cc3)NC(=O)c2s1 |r,wU:10.11,wD:13.18,(40.37,-51.96,;39.89,-50.5,;38.42,-50.02,;38.42,-48.48,;39.89,-48.01,;40.79,-49.25,;42.33,-49.24,;43.25,-50.5,;44.72,-50.02,;46.04,-50.78,;47.37,-50.02,;47.36,-51.56,;48.68,-52.33,;50.02,-51.57,;51.56,-51.57,;50.03,-50.03,;48.7,-49.25,;50.79,-52.9,;50.02,-54.23,;50.79,-55.57,;52.33,-55.57,;53.1,-56.89,;53.1,-54.22,;52.33,-52.9,;47.37,-48.48,;46.04,-47.7,;46.05,-46.16,;44.72,-48.47,;43.25,-48,)| Show InChI InChI=1S/C21H21FN4O2S/c1-12-15(11-23-26-12)17-10-16-18(29-17)19(27)25-21(24-16)8-6-20(28,7-9-21)13-2-4-14(22)5-3-13/h2-5,10-11,24,28H,6-9H2,1H3,(H,23,26)(H,25,27)/t20-,21+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human Cdc7 (1 to 574 residues)/human N-terminal GST-tagged DBF4 (1 to 674 residues) expressed in baculovirus expression sys...				Bioorg Med Chem 25: 2133-2147 (2017) Article DOI: 10.1016/j.bmc.2017.02.021 BindingDB Entry DOI: 10.7270/Q29P3477
					More data for this Ligand-Target Pair