BindingDB PrimarySearch

BDBM50237622 4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-::4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine::CCT128930::CHEMBL263664::US8796293, 17

SMILES: NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12

InChI Key: InChIKey=RZIDZIGAXXNODG-UHFFFAOYSA-N

Data: 21 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50237622
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50237622 (4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	7.5	25
Astex Therapeutics Limited; The Institute of Cancer Research: Royal Cancer Hospital; Cancer Research Technology Limited US Patent					Assay Description In a final reaction volume of 25 ul, ROCK-II (h) (5-10 mU) is incubated with 50 mM Tris pH 7.5, 0.1 mM EGTA, 30 uM KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK (...				US Patent US8796293 (2014) BindingDB Entry DOI: 10.7270/Q21C1VJM
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Homo sapiens (Human))	BDBM50237622 (4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CYP2E1				J Med Chem 51: 2147-57 (2008) Article DOI: 10.1021/jm701437d BindingDB Entry DOI: 10.7270/Q2X63NV8
The Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50237622 (4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CYP2A6				J Med Chem 51: 2147-57 (2008) Article DOI: 10.1021/jm701437d BindingDB Entry DOI: 10.7270/Q2X63NV8
The Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50237622 (4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of GSK3-beta in human PC3M cells by ELISA				J Med Chem 51: 2147-57 (2008) Article DOI: 10.1021/jm701437d BindingDB Entry DOI: 10.7270/Q2X63NV8
The Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50237622 (4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human microsomal preparation				J Med Chem 53: 2239-49 (2010) Article DOI: 10.1021/jm901788j BindingDB Entry DOI: 10.7270/Q23B608V
Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50237622 (4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of PKB in human U87MG cells assessed as GSK3beta phosphorylation by ELISA				J Med Chem 53: 2239-49 (2010) Article DOI: 10.1021/jm901788j BindingDB Entry DOI: 10.7270/Q23B608V
Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50237622 (4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of PKB in human PC3M cells assessed as GSK3beta phosphorylation by ELISA				J Med Chem 53: 2239-49 (2010) Article DOI: 10.1021/jm901788j BindingDB Entry DOI: 10.7270/Q23B608V
Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT2 (Homo sapiens (Human))	BDBM50237622 (4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of PKBbeta by radiometric filter binding assay				J Med Chem 53: 2239-49 (2010) Article DOI: 10.1021/jm901788j BindingDB Entry DOI: 10.7270/Q23B608V
Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50237622 (4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human microsomal preparation				J Med Chem 53: 2239-49 (2010) Article DOI: 10.1021/jm901788j BindingDB Entry DOI: 10.7270/Q23B608V
Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50237622 (4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human microsomal preparation				J Med Chem 53: 2239-49 (2010) Article DOI: 10.1021/jm901788j BindingDB Entry DOI: 10.7270/Q23B608V
Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50237622 (4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human microsomal preparation				J Med Chem 53: 2239-49 (2010) Article DOI: 10.1021/jm901788j BindingDB Entry DOI: 10.7270/Q23B608V
Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50237622 (4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human microsomal preparation				J Med Chem 53: 2239-49 (2010) Article DOI: 10.1021/jm901788j BindingDB Entry DOI: 10.7270/Q23B608V
Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50237622 (4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CYP2C19				J Med Chem 51: 2147-57 (2008) Article DOI: 10.1021/jm701437d BindingDB Entry DOI: 10.7270/Q2X63NV8
The Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50237622 (4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 51: 2147-57 (2008) Article DOI: 10.1021/jm701437d BindingDB Entry DOI: 10.7270/Q2X63NV8
The Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50237622 (4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CYP2C9				J Med Chem 51: 2147-57 (2008) Article DOI: 10.1021/jm701437d BindingDB Entry DOI: 10.7270/Q2X63NV8
The Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50237622 (4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB 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
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 51: 2147-57 (2008) Article DOI: 10.1021/jm701437d BindingDB Entry DOI: 10.7270/Q2X63NV8
The Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K) (Homo sapiens (Human))	BDBM50237622 (4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of p70S6K by radiometric filter binding assay				J Med Chem 51: 2147-57 (2008) Article DOI: 10.1021/jm701437d BindingDB Entry DOI: 10.7270/Q2X63NV8
The Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50237622 (4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of GSK3-beta in human PC3M cells by ELISA				J Med Chem 51: 2147-57 (2008) Article DOI: 10.1021/jm701437d BindingDB Entry DOI: 10.7270/Q2X63NV8
The Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT2 (Homo sapiens (Human))	BDBM50237622 (4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of PKBbeta recombinant by radiometric filter binding assay				J Med Chem 51: 2147-57 (2008) Article DOI: 10.1021/jm701437d BindingDB Entry DOI: 10.7270/Q2X63NV8
The Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50237622 (4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CYP1A2				J Med Chem 51: 2147-57 (2008) Article DOI: 10.1021/jm701437d BindingDB Entry DOI: 10.7270/Q2X63NV8
The Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase B (Akt1 E49C, C296S, C310S and C344S ) (Homo sapiens (Human))	BDBM50237622 (4-(4-Chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4...) Show SMILES Show InChI	PDB B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit�t Dortmund					Assay Description IC50 determinations for activated Akt1 were measured with the KinEASE assay (Cisbio) according to the manufacturer’s instructions. The kinases A...				ACS Chem Biol 10: 279-88 (2015) Article DOI: 10.1021/cb500355c BindingDB Entry DOI: 10.7270/Q218358G
Technische Universit�t Dortmund					More data for this Ligand-Target Pair