BDBM50113680 (R)-2-(6-(3-chlorophenylamino)-9-isopropyl-9H-purin-2-ylamino)butan-1-ol::2-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-butan-1-ol::CHEMBL306783::cid_16746116

SMILES: CC[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1

InChI Key: InChIKey=PLSQJQBMTUJOLL-CYBMUJFWSA-N

Data: 2 IC50  3 EC50

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 5 hits for monomerid = 50113680   

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
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM50113680 ((R)-2-(6-(3-chlorophenylamino)-9-isopropyl-9H-puri...) Show SMILES CC[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C18H23ClN6O/c1-4-13(9-26)22-18-23-16(21-14-7-5-6-12(19)8-14)15-17(24-18)25(10-20-15)11(2)3/h5-8,10-11,13,26H,4,9H2,1-3H3,(H2,21,22,23,24)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.54E+3	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2TX3CSC
					More data for this Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM50113680 ((R)-2-(6-(3-chlorophenylamino)-9-isopropyl-9H-puri...) Show SMILES CC[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C18H23ClN6O/c1-4-13(9-26)22-18-23-16(21-14-7-5-6-12(19)8-14)15-17(24-18)25(10-20-15)11(2)3/h5-8,10-11,13,26H,4,9H2,1-3H3,(H2,21,22,23,24)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2M32T6M
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50113680 ((R)-2-(6-(3-chlorophenylamino)-9-isopropyl-9H-puri...) Show SMILES CC[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C18H23ClN6O/c1-4-13(9-26)22-18-23-16(21-14-7-5-6-12(19)8-14)15-17(24-18)25(10-20-15)11(2)3/h5-8,10-11,13,26H,4,9H2,1-3H3,(H2,21,22,23,24)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Binding affinity to cyclin-dependent kinase 1 (CDK1)				J Med Chem 45: 2366-78 (2002) BindingDB Entry DOI: 10.7270/Q25B01SB
					More data for this Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM50113680 ((R)-2-(6-(3-chlorophenylamino)-9-isopropyl-9H-puri...) Show SMILES CC[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C18H23ClN6O/c1-4-13(9-26)22-18-23-16(21-14-7-5-6-12(19)8-14)15-17(24-18)25(10-20-15)11(2)3/h5-8,10-11,13,26H,4,9H2,1-3H3,(H2,21,22,23,24)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2X34VX0
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 33 (Homo sapiens (Human))	BDBM50113680 ((R)-2-(6-(3-chlorophenylamino)-9-isopropyl-9H-puri...) Show SMILES CC[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C18H23ClN6O/c1-4-13(9-26)22-18-23-16(21-14-7-5-6-12(19)8-14)15-17(24-18)25(10-20-15)11(2)3/h5-8,10-11,13,26H,4,9H2,1-3H3,(H2,21,22,23,24)/t13-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.49E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2B27SRF
					More data for this Ligand-Target Pair