BDBM59087 CHEMBL258765::Fascaplysin

SMILES: O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12

InChI Key: InChIKey=WYQIPCUPNMRAKP-UHFFFAOYSA-O

Data: 15 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 16 hits for monomerid = 59087   

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-dependent kinase 4 (Homo sapiens (Human))	BDBM59087 (CHEMBL258765 | Fasca-plysi | Fascaplysin) Show SMILES O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12 Show InChI InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM59087 (CHEMBL258765 | Fasca-plysi | Fascaplysin) Show SMILES O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12 Show InChI InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	9.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM59087 (CHEMBL258765 | Fasca-plysi | Fascaplysin) Show SMILES O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12 Show InChI InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of CDK4				J Nat Prod 69: 14-7 (2006) Article DOI: 10.1021/np050229y BindingDB Entry DOI: 10.7270/Q2FJ2GHF
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM59087 (CHEMBL258765 | Fasca-plysi | Fascaplysin) Show SMILES O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12 Show InChI InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
Griffith University Curated by ChEMBL					Assay Description Inhibition of CDK6				J Nat Prod 69: 14-7 (2006) Article DOI: 10.1021/np050229y BindingDB Entry DOI: 10.7270/Q2FJ2GHF
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM59087 (CHEMBL258765 | Fasca-plysi | Fascaplysin) Show SMILES O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12 Show InChI InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation				Bioorg Med Chem 16: 7728-39 (2008) Article DOI: 10.1016/j.bmc.2008.07.002 BindingDB Entry DOI: 10.7270/Q2348K57
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM59087 (CHEMBL258765 | Fasca-plysi | Fascaplysin) Show SMILES O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12 Show InChI InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of human CDK2/GST-cyclin A expressed in Sf9 cells assessed as histone phosphorylation				Bioorg Med Chem 16: 7728-39 (2008) Article DOI: 10.1016/j.bmc.2008.07.002 BindingDB Entry DOI: 10.7270/Q2348K57
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM59087 (CHEMBL258765 | Fasca-plysi | Fascaplysin) Show SMILES O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12 Show InChI InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of human CDK4/ Cyclin D1 catalytic subunit expressed in Sf9 insect cells assessed as GST-RB152 fusion protein phosphorylation-associated d...				Bioorg Med Chem 17: 6073-84 (2009) Article DOI: 10.1016/j.bmc.2009.06.070 BindingDB Entry DOI: 10.7270/Q27P8ZDP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM59087 (CHEMBL258765 | Fasca-plysi | Fascaplysin) Show SMILES O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12 Show InChI InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of human CDK2/ Cyclin A catalytic subunit expressed in Sf9 insect cells assessed as histone H1 phosphorylation-associated depletion in ATP...				Bioorg Med Chem 17: 6073-84 (2009) Article DOI: 10.1016/j.bmc.2009.06.070 BindingDB Entry DOI: 10.7270/Q27P8ZDP
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM59087 (CHEMBL258765 | Fasca-plysi | Fascaplysin) Show SMILES O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12 Show InChI InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
De Montfort University Curated by ChEMBL					Assay Description Binding affinity to human CDK4/cyclinD1 using GST-pRB152 as substrate by chemiluminescence assay				J Med Chem 57: 9658-72 (2014) Article DOI: 10.1021/jm5014743 BindingDB Entry DOI: 10.7270/Q2PR7ZZ6
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM59087 (CHEMBL258765 | Fasca-plysi | Fascaplysin) Show SMILES O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12 Show InChI InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
De Montfort University Curated by ChEMBL					Assay Description Binding affinity to human CDK2/cyclinA using GST-pRB152 as substrate by chemiluminescence assay				J Med Chem 57: 9658-72 (2014) Article DOI: 10.1021/jm5014743 BindingDB Entry DOI: 10.7270/Q2PR7ZZ6
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM59087 (CHEMBL258765 | Fasca-plysi | Fascaplysin) Show SMILES O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12 Show InChI InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
De Montfort University Curated by ChEMBL					Assay Description Binding affinity to human CDK2/cyclinE				J Med Chem 57: 9658-72 (2014) Article DOI: 10.1021/jm5014743 BindingDB Entry DOI: 10.7270/Q2PR7ZZ6
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM59087 (CHEMBL258765 | Fasca-plysi | Fascaplysin) Show SMILES O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12 Show InChI InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
De Montfort University Curated by ChEMBL					Assay Description Binding affinity to human CDK1/cyclinB1				J Med Chem 57: 9658-72 (2014) Article DOI: 10.1021/jm5014743 BindingDB Entry DOI: 10.7270/Q2PR7ZZ6
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM59087 (CHEMBL258765 | Fasca-plysi | Fascaplysin) Show SMILES O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12 Show InChI InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
De Montfort University Curated by ChEMBL					Assay Description Binding affinity to human CDK9/cyclinT1				J Med Chem 57: 9658-72 (2014) Article DOI: 10.1021/jm5014743 BindingDB Entry DOI: 10.7270/Q2PR7ZZ6
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM59087 (CHEMBL258765 | Fasca-plysi | Fascaplysin) Show SMILES O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12 Show InChI InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of CDK4 (unknown origin)				Eur J Med Chem 107: 1-11 (2016) Article DOI: 10.1016/j.ejmech.2015.10.049 BindingDB Entry DOI: 10.7270/Q2H70JSM
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM59087 (CHEMBL258765 | Fasca-plysi | Fascaplysin) Show SMILES O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12 Show InChI InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health					Assay Description The 3CLpro enzyme assay was developed in 384-well black, medium binding microplates (Greiner Bio-One, Monroe, NC, USA) with a total volume of 20 _...				bioRxiv (2020) Article DOI: 10.1101/2020.07.17.207019 BindingDB Entry DOI: 10.7270/Q20G3NJM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM59087 (CHEMBL258765 | Fasca-plysi | Fascaplysin) Show SMILES O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12 Show InChI InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cyclacel Limited					Assay Description In vitro kinase inhibition assay.				Chem Biol 11: 525-34 (2004) Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3
					More data for this Ligand-Target Pair