BDBM7453 1-aza-9-oxafluorene deriv. 7b::4-methoxy-3-phenyl-8-oxa-6-azatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-12-ol::elbfluorene analog

SMILES: COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1

InChI Key: InChIKey=MVQYJJBKEKHCBP-UHFFFAOYSA-N

Data: 4 KI  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 8 hits for monomerid = 7453   

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))	BDBM7453 (1-aza-9-oxafluorene deriv. 7b | 4-methoxy-3-phenyl...) Show SMILES COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1 Show InChI InChI=1S/C18H13NO3/c1-21-15-10-19-18-17(16(15)11-5-3-2-4-6-11)13-9-12(20)7-8-14(13)22-18/h2-10,20H,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin B				Bioorg Med Chem Lett 22: 6914-8 (2012) Article DOI: 10.1016/j.bmcl.2012.09.006 BindingDB Entry DOI: 10.7270/Q2M61MC1
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM7453 (1-aza-9-oxafluorene deriv. 7b | 4-methoxy-3-phenyl...) Show SMILES COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1 Show InChI InChI=1S/C18H13NO3/c1-21-15-10-19-18-17(16(15)11-5-3-2-4-6-11)13-9-12(20)7-8-14(13)22-18/h2-10,20H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of GSK3beta				Bioorg Med Chem Lett 22: 6914-8 (2012) Article DOI: 10.1016/j.bmcl.2012.09.006 BindingDB Entry DOI: 10.7270/Q2M61MC1
					More data for this Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2 (Homo sapiens (Human))	BDBM7453 (1-aza-9-oxafluorene deriv. 7b | 4-methoxy-3-phenyl...) Show SMILES COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1 Show InChI InChI=1S/C18H13NO3/c1-21-15-10-19-18-17(16(15)11-5-3-2-4-6-11)13-9-12(20)7-8-14(13)22-18/h2-10,20H,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E				Bioorg Med Chem Lett 22: 6914-8 (2012) Article DOI: 10.1016/j.bmcl.2012.09.006 BindingDB Entry DOI: 10.7270/Q2M61MC1
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM7453 (1-aza-9-oxafluorene deriv. 7b | 4-methoxy-3-phenyl...) Show SMILES COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1 Show InChI InChI=1S/C18H13NO3/c1-21-15-10-19-18-17(16(15)11-5-3-2-4-6-11)13-9-12(20)7-8-14(13)22-18/h2-10,20H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.17E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of CDK5/p25				Bioorg Med Chem Lett 22: 6914-8 (2012) Article DOI: 10.1016/j.bmcl.2012.09.006 BindingDB Entry DOI: 10.7270/Q2M61MC1
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM7453 (1-aza-9-oxafluorene deriv. 7b | 4-methoxy-3-phenyl...) Show SMILES COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1 Show InChI InChI=1S/C18H13NO3/c1-21-15-10-19-18-17(16(15)11-5-3-2-4-6-11)13-9-12(20)7-8-14(13)22-18/h2-10,20H,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	7.2	30
Martin-Luther-University Halle-Wittenberg					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				Bioorg Med Chem Lett 15: 823-5 (2005) Article DOI: 10.1016/j.bmcl.2004.10.091 BindingDB Entry DOI: 10.7270/Q2QZ2853
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM7453 (1-aza-9-oxafluorene deriv. 7b | 4-methoxy-3-phenyl...) Show SMILES COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1 Show InChI InChI=1S/C18H13NO3/c1-21-15-10-19-18-17(16(15)11-5-3-2-4-6-11)13-9-12(20)7-8-14(13)22-18/h2-10,20H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	7.2	30
Martin-Luther-University Halle-Wittenberg					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				Bioorg Med Chem Lett 15: 823-5 (2005) Article DOI: 10.1016/j.bmcl.2004.10.091 BindingDB Entry DOI: 10.7270/Q2QZ2853
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Marthasterias glacialis (starfish))	BDBM7453 (1-aza-9-oxafluorene deriv. 7b | 4-methoxy-3-phenyl...) Show SMILES COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1 Show InChI InChI=1S/C18H13NO3/c1-21-15-10-19-18-17(16(15)11-5-3-2-4-6-11)13-9-12(20)7-8-14(13)22-18/h2-10,20H,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.43E+4	n/a	n/a	n/a	n/a	7.2	30
Martin-Luther-University Halle-Wittenberg					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				Bioorg Med Chem Lett 15: 823-5 (2005) Article DOI: 10.1016/j.bmcl.2004.10.091 BindingDB Entry DOI: 10.7270/Q2QZ2853
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM7453 (1-aza-9-oxafluorene deriv. 7b | 4-methoxy-3-phenyl...) Show SMILES COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1 Show InChI InChI=1S/C18H13NO3/c1-21-15-10-19-18-17(16(15)11-5-3-2-4-6-11)13-9-12(20)7-8-14(13)22-18/h2-10,20H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.2	30
Martin-Luther-University Halle-Wittenberg					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				Bioorg Med Chem Lett 15: 823-5 (2005) Article DOI: 10.1016/j.bmcl.2004.10.091 BindingDB Entry DOI: 10.7270/Q2QZ2853
					More data for this Ligand-Target Pair