BDBM50353060 CHEMBL4167193

SMILES: [H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)N(C)C

InChI Key: InChIKey=IWZSHWBGHQBIML-DVKXZNKPSA-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 = 50353060   

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
Serine/threonine-protein kinase Nek1 (Homo sapiens (Human))	BDBM50353060 (CHEMBL4167193) Show SMILES [H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)N(C)C |r,t:28| Show InChI InChI=1S/C30H40N2/c1-29-14-11-24(32(3)4)18-23(29)7-8-25-27-10-9-26(30(27,2)15-12-28(25)29)21-6-5-20-13-16-31-19-22(20)17-21/h5-7,13,16-17,19,24-28H,8-12,14-15,18H2,1-4H3/t24-,25-,26+,27-,28-,29-,30+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of wild-type human partial length NEK1 (M1 to K278 residues) expressed in bacterial expression system by Kinomescan method				ACS Med Chem Lett 9: 540-545 (2018) Article DOI: 10.1021/acsmedchemlett.8b00011 BindingDB Entry DOI: 10.7270/Q2125W6Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 8 (Homo sapiens (Human))	BDBM50353060 (CHEMBL4167193) Show SMILES [H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)N(C)C |r,t:28| Show InChI InChI=1S/C30H40N2/c1-29-14-11-24(32(3)4)18-23(29)7-8-25-27-10-9-26(30(27,2)15-12-28(25)29)21-6-5-20-13-16-31-19-22(20)17-21/h5-7,13,16-17,19,24-28H,8-12,14-15,18H2,1-4H3/t24-,25-,26+,27-,28-,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of CDK8 (unknown origin)				ACS Med Chem Lett 9: 540-545 (2018) Article DOI: 10.1021/acsmedchemlett.8b00011 BindingDB Entry DOI: 10.7270/Q2125W6Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 19 (Homo sapiens (Human))	BDBM50353060 (CHEMBL4167193) Show SMILES [H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)N(C)C |r,t:28| Show InChI InChI=1S/C30H40N2/c1-29-14-11-24(32(3)4)18-23(29)7-8-25-27-10-9-26(30(27,2)15-12-28(25)29)21-6-5-20-13-16-31-19-22(20)17-21/h5-7,13,16-17,19,24-28H,8-12,14-15,18H2,1-4H3/t24-,25-,26+,27-,28-,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of human CDK19 (M1 to N360 residues) expressed in bacterial expression system by KINOMEscan assay				ACS Med Chem Lett 9: 540-545 (2018) Article DOI: 10.1021/acsmedchemlett.8b00011 BindingDB Entry DOI: 10.7270/Q2125W6Z
					More data for this Ligand-Target Pair