BDBM167611 US9073922, 97::US9796708, Example 97

SMILES: CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2cccc(Cl)c2)n1

InChI Key: InChIKey=MQWRXIFGIPESEO-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 167611   

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 9 (CDK9) (Homo sapiens (Human))	BDBM167611 (US9073922, 97 | US9796708, Example 97) Show SMILES CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2cccc(Cl)c2)n1 Show InChI InChI=1S/C25H26ClN5/c1-31-12-9-18(10-13-31)23-15-21-20(8-11-27-25(21)30-23)22-6-3-7-24(29-22)28-16-17-4-2-5-19(26)14-17/h2-8,11,14-15,18H,9-10,12-13,16H2,1H3,(H,27,30)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent					Assay Description CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...				US Patent US9796708 (2017) BindingDB Entry DOI: 10.7270/Q2WD42P4
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM167611 (US9073922, 97 | US9796708, Example 97) Show SMILES CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCc2cccc(Cl)c2)n1 Show InChI InChI=1S/C25H26ClN5/c1-31-12-9-18(10-13-31)23-15-21-20(8-11-27-25(21)30-23)22-6-3-7-24(29-22)28-16-17-4-2-5-19(26)14-17/h2-8,11,14-15,18H,9-10,12-13,16H2,1H3,(H,27,30)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie, Inc. US Patent					Assay Description CDK9 enzyme activities were measured using LANCE ULight TR-FRET kinase assay reagents (PerkinElmer, Waltham, Mass.). Compounds were directly added in...				US Patent US9073922 (2015) BindingDB Entry DOI: 10.7270/Q2CJ8C78
					More data for this Ligand-Target Pair