BDBM50536934 CHEMBL4561548

SMILES: COc1ccc(cc1OCC(=O)NC1CCCCC1)-c1nc2ccccc2c(=O)[nH]1

InChI Key: InChIKey=VAWMVQAKEDXTNH-UHFFFAOYSA-N

Data: 8 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 = 50536934   

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 (CDK4) (Homo sapiens (Human))	BDBM50536934 (CHEMBL4561548) Show SMILES COc1ccc(cc1OCC(=O)NC1CCCCC1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C23H25N3O4/c1-29-19-12-11-15(22-25-18-10-6-5-9-17(18)23(28)26-22)13-20(19)30-14-21(27)24-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,24,27)(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
De Montfort University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged CDK4 (S4 to E303 residues)/Cyclin D1 (Q4 to I295 residues) expressed in sf9 cells using RBCTF a...				Eur J Med Chem 165: 115-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.011
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50536934 (CHEMBL4561548) Show SMILES COc1ccc(cc1OCC(=O)NC1CCCCC1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C23H25N3O4/c1-29-19-12-11-15(22-25-18-10-6-5-9-17(18)23(28)26-22)13-20(19)30-14-21(27)24-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,24,27)(H,25,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
De Montfort University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A1 expressed in baker's yeast-derived microsomes using 7-ethoxyresorufin as substrate by fluorescence assay				Eur J Med Chem 165: 115-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.011
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50536934 (CHEMBL4561548) Show SMILES COc1ccc(cc1OCC(=O)NC1CCCCC1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C23H25N3O4/c1-29-19-12-11-15(22-25-18-10-6-5-9-17(18)23(28)26-22)13-20(19)30-14-21(27)24-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,24,27)(H,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
De Montfort University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST/His6-tagged CDK1 (M1 to M297 residues)/CyclinB1 (M1 to V433 residues) expressed in Sf9 insect cells us...				Eur J Med Chem 165: 115-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.011
					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50536934 (CHEMBL4561548) Show SMILES COc1ccc(cc1OCC(=O)NC1CCCCC1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C23H25N3O4/c1-29-19-12-11-15(22-25-18-10-6-5-9-17(18)23(28)26-22)13-20(19)30-14-21(27)24-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,24,27)(H,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
De Montfort University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1B1 expressed in baker's yeast-derived microsomes using 7-ethoxyresorufin as substrate by fluorescence assay				Eur J Med Chem 165: 115-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.011
					More data for this Ligand-Target Pair
CDK6/cyclin D1 (Homo sapiens (Human))	BDBM50536934 (CHEMBL4561548) Show SMILES COc1ccc(cc1OCC(=O)NC1CCCCC1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C23H25N3O4/c1-29-19-12-11-15(22-25-18-10-6-5-9-17(18)23(28)26-22)13-20(19)30-14-21(27)24-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,24,27)(H,25,26,28)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
De Montfort University Curated by ChEMBL					Assay Description Inhibition of CDK6/cyclin D1 (unknown origin) using RBER-CHKtide as substrate measured after 1 hr by ADP-glo luminescence assay				Eur J Med Chem 165: 115-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.011
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50536934 (CHEMBL4561548) Show SMILES COc1ccc(cc1OCC(=O)NC1CCCCC1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C23H25N3O4/c1-29-19-12-11-15(22-25-18-10-6-5-9-17(18)23(28)26-22)13-20(19)30-14-21(27)24-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,24,27)(H,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
De Montfort University Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2 expressed in baker's yeast-derived microsomes using 3-cyano-7-ethoxycoumarin as substrate by fluorescence assa...				Eur J Med Chem 165: 115-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.011
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM50536934 (CHEMBL4561548) Show SMILES COc1ccc(cc1OCC(=O)NC1CCCCC1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C23H25N3O4/c1-29-19-12-11-15(22-25-18-10-6-5-9-17(18)23(28)26-22)13-20(19)30-14-21(27)24-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,24,27)(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
De Montfort University Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal GST-fused CDK2 (M1 to L298 residues)/human full length Cyclin-A2 (M1 to L432 residues) expressed in Sf9 ce...				Eur J Med Chem 165: 115-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.011
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50536934 (CHEMBL4561548) Show SMILES COc1ccc(cc1OCC(=O)NC1CCCCC1)-c1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C23H25N3O4/c1-29-19-12-11-15(22-25-18-10-6-5-9-17(18)23(28)26-22)13-20(19)30-14-21(27)24-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,24,27)(H,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
De Montfort University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal HIS6-fused human Cyclin-T1 (M1 to K72...				Eur J Med Chem 165: 115-132 (2019) Article DOI: 10.1016/j.ejmech.2019.01.011
					More data for this Ligand-Target Pair