BDBM307808 BDBM307918::BDBM307919::N-{5-chloro-4-[1-(3-fluorobenzyl)-1H-benzimidazol-6-yl]pyridin-2-yl}-6-azaspiro[3.5]nonan-2-amine::US9650358, Example 104

SMILES: Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC3CC4(C3)CCCNC4)ncc2Cl)c1

InChI Key: InChIKey=JMPHNRXXSQJZLN-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 307808   

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 (Homo sapiens (Human))	BDBM307808 (BDBM307918 | BDBM307919 | N-{5-chloro-4-[1-(3-fluo...) Show SMILES Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC3CC4(C3)CCCNC4)ncc2Cl)c1 |(2.76,10.77,;3.23,9.31,;4.74,8.99,;5.22,7.52,;4.19,6.38,;2.68,6.7,;1.65,5.55,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;10.26,9,;10.66,10.49,;12.14,10.09,;11.75,8.6,;13.48,9.32,;14.81,10.09,;14.81,11.63,;13.48,12.4,;12.14,11.63,;10.26,5.92,;10.26,4.38,;8.92,3.61,;8.92,2.07,;2.2,8.16,)| Show InChI InChI=1S/C27H27ClFN5/c28-23-14-31-26(33-21-12-27(13-21)7-2-8-30-16-27)11-22(23)19-5-6-24-25(10-19)34(17-32-24)15-18-3-1-4-20(29)9-18/h1,3-6,9-11,14,17,21,30H,2,7-8,12-13,15-16H2,(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	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 US9650358 (2017) BindingDB Entry DOI: 10.7270/Q2057J0M
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM307808 (BDBM307918 | BDBM307919 | N-{5-chloro-4-[1-(3-fluo...) Show SMILES Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC3CC4(C3)CCCNC4)ncc2Cl)c1 |(2.76,10.77,;3.23,9.31,;4.74,8.99,;5.22,7.52,;4.19,6.38,;2.68,6.7,;1.65,5.55,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;10.26,9,;10.66,10.49,;12.14,10.09,;11.75,8.6,;13.48,9.32,;14.81,10.09,;14.81,11.63,;13.48,12.4,;12.14,11.63,;10.26,5.92,;10.26,4.38,;8.92,3.61,;8.92,2.07,;2.2,8.16,)| Show InChI InChI=1S/C27H27ClFN5/c28-23-14-31-26(33-21-12-27(13-21)7-2-8-30-16-27)11-22(23)19-5-6-24-25(10-19)34(17-32-24)15-18-3-1-4-20(29)9-18/h1,3-6,9-11,14,17,21,30H,2,7-8,12-13,15-16H2,(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39	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 US9650358 (2017) BindingDB Entry DOI: 10.7270/Q2057J0M
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM307808 (BDBM307918 | BDBM307919 | N-{5-chloro-4-[1-(3-fluo...) Show SMILES Fc1cccc(Cn2cnc3ccc(cc23)-c2cc(NC3CC4(C3)CCCNC4)ncc2Cl)c1 |(2.76,10.77,;3.23,9.31,;4.74,8.99,;5.22,7.52,;4.19,6.38,;2.68,6.7,;1.65,5.55,;2.13,4.09,;1.22,2.84,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;4.92,4.38,;3.59,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.92,8.23,;10.26,9,;10.66,10.49,;12.14,10.09,;11.75,8.6,;13.48,9.32,;14.81,10.09,;14.81,11.63,;13.48,12.4,;12.14,11.63,;10.26,5.92,;10.26,4.38,;8.92,3.61,;8.92,2.07,;2.2,8.16,)| Show InChI InChI=1S/C27H27ClFN5/c28-23-14-31-26(33-21-12-27(13-21)7-2-8-30-16-27)11-22(23)19-5-6-24-25(10-19)34(17-32-24)15-18-3-1-4-20(29)9-18/h1,3-6,9-11,14,17,21,30H,2,7-8,12-13,15-16H2,(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	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 US9650358 (2017) BindingDB Entry DOI: 10.7270/Q2057J0M
					More data for this Ligand-Target Pair