BDBM50358212 CHEMBL1922218::US8846696, (2S3R)-3-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-pentan-2-ol

SMILES: CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O

InChI Key: InChIKey=SCACHXWSWJBIHG-DZGCQCFKSA-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 = 50358212   

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))	BDBM50358212 (CHEMBL1922218 | US8846696, (2S3R)-3-{9-Isopropyl-6...) Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O |r| Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	7.4	n/a
Cyclacel Limited; Cancer Research Technology Limited US Patent					Assay Description The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...				US Patent US8846696 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XCT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50358212 (CHEMBL1922218 | US8846696, (2S3R)-3-{9-Isopropyl-6...) Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O |r| Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	7.4	n/a
Cyclacel Limited; Cancer Research Technology Limited US Patent					Assay Description The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...				US Patent US8846696 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XCT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50358212 (CHEMBL1922218 | US8846696, (2S3R)-3-{9-Isopropyl-6...) Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O |r| Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	7.4	n/a
Cyclacel Limited; Cancer Research Technology Limited US Patent					Assay Description The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...				US Patent US8846696 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XCT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50358212 (CHEMBL1922218 | US8846696, (2S3R)-3-{9-Isopropyl-6...) Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O |r| Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	7.4	n/a
Cyclacel Limited; Cancer Research Technology Limited US Patent					Assay Description The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...				US Patent US8846696 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XCT
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human))	BDBM50358212 (CHEMBL1922218 | US8846696, (2S3R)-3-{9-Isopropyl-6...) Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O |r| Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclin B				Bioorg Med Chem 19: 6949-65 (2011) Article DOI: 10.1016/j.bmc.2011.08.051 BindingDB Entry DOI: 10.7270/Q2NP24V1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50358212 (CHEMBL1922218 | US8846696, (2S3R)-3-{9-Isopropyl-6...) Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O |r| Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	7.4	n/a
Cyclacel Limited; Cancer Research Technology Limited US Patent					Assay Description The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...				US Patent US8846696 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XCT
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50358212 (CHEMBL1922218 | US8846696, (2S3R)-3-{9-Isopropyl-6...) Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O |r| Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CDK9/cyclin T1				Bioorg Med Chem 19: 6949-65 (2011) Article DOI: 10.1016/j.bmc.2011.08.051 BindingDB Entry DOI: 10.7270/Q2NP24V1
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7) (Homo sapiens (Human))	BDBM50358212 (CHEMBL1922218 | US8846696, (2S3R)-3-{9-Isopropyl-6...) Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O |r| Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CDK7/cyclin H				Bioorg Med Chem 19: 6949-65 (2011) Article DOI: 10.1016/j.bmc.2011.08.051 BindingDB Entry DOI: 10.7270/Q2NP24V1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50358212 (CHEMBL1922218 | US8846696, (2S3R)-3-{9-Isopropyl-6...) Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O |r| Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of ERK2				Bioorg Med Chem 19: 6949-65 (2011) Article DOI: 10.1016/j.bmc.2011.08.051 BindingDB Entry DOI: 10.7270/Q2NP24V1
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human))	BDBM50358212 (CHEMBL1922218 | US8846696, (2S3R)-3-{9-Isopropyl-6...) Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O |r| Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	7.4	n/a
Cyclacel Limited; Cancer Research Technology Limited US Patent					Assay Description The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...				US Patent US8846696 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XCT
					More data for this Ligand-Target Pair