BDBM50267480 4-{[(4-Hydroxy-5-propoxy-pyridin-2-ylmethyl)-amino]-methylene}-6-iodo-4H-isoquinoline-1,3-dione::CHEMBL477064

SMILES: CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O

InChI Key: InChIKey=DXMZEMWEDCPBNA-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50267480   

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 2 (Homo sapiens (Human))	BDBM50267480 (4-{[(4-Hydroxy-5-propoxy-pyridin-2-ylmethyl)-amino...) Show SMILES CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9| Show InChI InChI=1S/C19H18IN3O4/c1-2-5-27-17-10-22-12(7-16(17)24)8-21-9-15-14-6-11(20)3-4-13(14)18(25)23-19(15)26/h3-4,6-7,9-10,21H,2,5,8H2,1H3,(H,22,24)(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50267480 (4-{[(4-Hydroxy-5-propoxy-pyridin-2-ylmethyl)-amino...) Show SMILES CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9| Show InChI InChI=1S/C19H18IN3O4/c1-2-5-27-17-10-22-12(7-16(17)24)8-21-9-15-14-6-11(20)3-4-13(14)18(25)23-19(15)26/h3-4,6-7,9-10,21H,2,5,8H2,1H3,(H,22,24)(H,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin B1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50267480 (4-{[(4-Hydroxy-5-propoxy-pyridin-2-ylmethyl)-amino...) Show SMILES CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9| Show InChI InChI=1S/C19H18IN3O4/c1-2-5-27-17-10-22-12(7-16(17)24)8-21-9-15-14-6-11(20)3-4-13(14)18(25)23-19(15)26/h3-4,6-7,9-10,21H,2,5,8H2,1H3,(H,22,24)(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation				J Med Chem 52: 2289-310 (2009) Article DOI: 10.1021/jm801026e BindingDB Entry DOI: 10.7270/Q27H1JG7
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM50267480 (4-{[(4-Hydroxy-5-propoxy-pyridin-2-ylmethyl)-amino...) Show SMILES CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9| Show InChI InChI=1S/C19H18IN3O4/c1-2-5-27-17-10-22-12(7-16(17)24)8-21-9-15-14-6-11(20)3-4-13(14)18(25)23-19(15)26/h3-4,6-7,9-10,21H,2,5,8H2,1H3,(H,22,24)(H,23,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL					Assay Description Inhibition of His-tagged CDK2/cyclin E (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate in presence of [gam...				J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50267480 (4-{[(4-Hydroxy-5-propoxy-pyridin-2-ylmethyl)-amino...) Show SMILES CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9| Show InChI InChI=1S/C19H18IN3O4/c1-2-5-27-17-10-22-12(7-16(17)24)8-21-9-15-14-6-11(20)3-4-13(14)18(25)23-19(15)26/h3-4,6-7,9-10,21H,2,5,8H2,1H3,(H,22,24)(H,23,25,26)	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 Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL					Assay Description Inhibition of GST-tagged CDK5/p25 (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate as substrate in presence...				J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50267480 (4-{[(4-Hydroxy-5-propoxy-pyridin-2-ylmethyl)-amino...) Show SMILES CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9| Show InChI InChI=1S/C19H18IN3O4/c1-2-5-27-17-10-22-12(7-16(17)24)8-21-9-15-14-6-11(20)3-4-13(14)18(25)23-19(15)26/h3-4,6-7,9-10,21H,2,5,8H2,1H3,(H,22,24)(H,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL					Assay Description Inhibition of His-tagged CDK1/cyclin B1 (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate in presence of [ga...				J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM50267480 (4-{[(4-Hydroxy-5-propoxy-pyridin-2-ylmethyl)-amino...) Show SMILES CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9| Show InChI InChI=1S/C19H18IN3O4/c1-2-5-27-17-10-22-12(7-16(17)24)8-21-9-15-14-6-11(20)3-4-13(14)18(25)23-19(15)26/h3-4,6-7,9-10,21H,2,5,8H2,1H3,(H,22,24)(H,23,25,26)	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 Patents Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL					Assay Description Inhibition of GST-tagged CDK2/cyclin A2 (unknown origin) expressed in Escherichia coli using histone H1 as substrate in presence of [gamma-33P]-ATP b...				J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049
					More data for this Ligand-Target Pair
CDK7/Cyclin H/MNAT1 (Homo sapiens (Human))	BDBM50267480 (4-{[(4-Hydroxy-5-propoxy-pyridin-2-ylmethyl)-amino...) Show SMILES CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9| Show InChI InChI=1S/C19H18IN3O4/c1-2-5-27-17-10-22-12(7-16(17)24)8-21-9-15-14-6-11(20)3-4-13(14)18(25)23-19(15)26/h3-4,6-7,9-10,21H,2,5,8H2,1H3,(H,22,24)(H,23,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL					Assay Description Inhibition of GST-tagged CDK7/cyclinH/MAT1 (unknown origin) expressed in Baculovirus infected Sf9 cells using YSPTSPS-2 KK peptide as substrate as su...				J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM50267480 (4-{[(4-Hydroxy-5-propoxy-pyridin-2-ylmethyl)-amino...) Show SMILES CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9| Show InChI InChI=1S/C19H18IN3O4/c1-2-5-27-17-10-22-12(7-16(17)24)8-21-9-15-14-6-11(20)3-4-13(14)18(25)23-19(15)26/h3-4,6-7,9-10,21H,2,5,8H2,1H3,(H,22,24)(H,23,25,26)	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 Patents Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL					Assay Description Inhibition of GST-tagged CDK4/cyclin D1 (unknown origin) expressed in Baculovirus infected Sf9 cells using RPPTLSPIPHIPR peptide as substrate in pres...				J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50267480 (4-{[(4-Hydroxy-5-propoxy-pyridin-2-ylmethyl)-amino...) Show SMILES CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9| Show InChI InChI=1S/C19H18IN3O4/c1-2-5-27-17-10-22-12(7-16(17)24)8-21-9-15-14-6-11(20)3-4-13(14)18(25)23-19(15)26/h3-4,6-7,9-10,21H,2,5,8H2,1H3,(H,22,24)(H,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany ASCR Curated by ChEMBL					Assay Description Inhibition of GST-tagged CDK9/CyclinT1 (unknown origin) expressed in Baculovirus infected Sf9 cells using YSPTSPS-2 KK peptide as substrate as substr...				J Med Chem 61: 9105-9120 (2018) Article DOI: 10.1021/acs.jmedchem.8b00049
					More data for this Ligand-Target Pair