BDBM50366800 OLOMOUCINE II

SMILES: CC[C@H](CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1

InChI Key: InChIKey=NDUVSANREQEDRE-CQSZACIVSA-N

Data: 3 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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 = 50366800   

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
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3 (Homo sapiens (Human))	BDBM50366800 (OLOMOUCINE II) Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany Curated by ChEMBL					Assay Description Inhibition of recombinant Cyclin-dependent kinase 1-cyclin B				Bioorg Med Chem Lett 12: 3283-6 (2002) BindingDB Entry DOI: 10.7270/Q2FT8MK1
					More data for this Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2 (Homo sapiens (Human))	BDBM50366800 (OLOMOUCINE II) Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at N-type Cav2.2 channel expressed in tsA201 cell assessed as calcium current by whole-cell patch clamp method				ACS Med Chem Lett 3: 985-990 (2012) Article DOI: 10.1021/ml3002083 BindingDB Entry DOI: 10.7270/Q2BC40P0
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50366800 (OLOMOUCINE II) Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate				Eur J Med Chem 61: 61-72 (2013) Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50366800 (OLOMOUCINE II) Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	815	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK9/CyclinT1 (unknown origin) using (YSPTSPS)2KK as substrate				Eur J Med Chem 61: 61-72 (2013) Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7
					More data for this Ligand-Target Pair