BDBM6846 5-{2-[(4-hydroxycyclohexyl)amino]ethyl}-18-methyl-3,13,18-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,21}]tricosa-1(16),2(10),4(9),5,7,11(15),17(21),19,22-nonaene-12,14-dione::indolocarbazole deriv. 13m

SMILES: Cn1ccc2ccc3c4[nH]c5c(CCN[C@H]6CC[C@H](O)CC6)cccc5c4c4C(=O)NC(=O)c4c3c12

InChI Key: InChIKey=ZNEQEOGXKINPPR-IYARVYRRSA-N

Data: 5 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 5 hits for monomerid = 6846   

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 4 (CDK4) (Homo sapiens (Human))	BDBM6846 (5-{2-[(4-hydroxycyclohexyl)amino]ethyl}-18-methyl-...) Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN[C@H]6CC[C@H](O)CC6)cccc5c4c4C(=O)NC(=O)c4c3c12 |r,wU:18.18,wD:15.14,(3.5,4.11,;3.82,2.6,;5.23,1.97,;5.06,.44,;3.56,.12,;2.79,-1.21,;1.25,-1.21,;.48,.12,;-1.06,.12,;-2.09,-1.02,;-3.5,-.4,;-4.91,-1.02,;-5.07,-2.55,;-6.44,-3.25,;-6.52,-4.79,;-7.89,-5.49,;-9.23,-4.72,;-10.56,-5.49,;-10.56,-7.03,;-11.89,-7.8,;-9.23,-7.8,;-7.89,-7.03,;-6.15,-.12,;-5.99,1.42,;-4.58,2.04,;-3.34,1.14,;-1.83,1.46,;-1.06,2.79,;-1.54,4.25,;-3,4.73,;-.29,5.16,;.95,4.25,;2.42,4.73,;.48,2.79,;1.25,1.46,;2.79,1.46,)| Show InChI InChI=1S/C29H28N4O3/c1-33-14-12-16-5-10-20-22(27(16)33)24-23(28(35)32-29(24)36)21-19-4-2-3-15(25(19)31-26(20)21)11-13-30-17-6-8-18(34)9-7-17/h2-5,10,12,14,17-18,30-31,34H,6-9,11,13H2,1H3,(H,32,35,36)/t17-,18-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 13: 2261-7 (2003) Article DOI: 10.1016/s0960-894x(03)00461-x BindingDB Entry DOI: 10.7270/Q29W0CPW
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM6846 (5-{2-[(4-hydroxycyclohexyl)amino]ethyl}-18-methyl-...) Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN[C@H]6CC[C@H](O)CC6)cccc5c4c4C(=O)NC(=O)c4c3c12 |r,wU:18.18,wD:15.14,(3.5,4.11,;3.82,2.6,;5.23,1.97,;5.06,.44,;3.56,.12,;2.79,-1.21,;1.25,-1.21,;.48,.12,;-1.06,.12,;-2.09,-1.02,;-3.5,-.4,;-4.91,-1.02,;-5.07,-2.55,;-6.44,-3.25,;-6.52,-4.79,;-7.89,-5.49,;-9.23,-4.72,;-10.56,-5.49,;-10.56,-7.03,;-11.89,-7.8,;-9.23,-7.8,;-7.89,-7.03,;-6.15,-.12,;-5.99,1.42,;-4.58,2.04,;-3.34,1.14,;-1.83,1.46,;-1.06,2.79,;-1.54,4.25,;-3,4.73,;-.29,5.16,;.95,4.25,;2.42,4.73,;.48,2.79,;1.25,1.46,;2.79,1.46,)| Show InChI InChI=1S/C29H28N4O3/c1-33-14-12-16-5-10-20-22(27(16)33)24-23(28(35)32-29(24)36)21-19-4-2-3-15(25(19)31-26(20)21)11-13-30-17-6-8-18(34)9-7-17/h2-5,10,12,14,17-18,30-31,34H,6-9,11,13H2,1H3,(H,32,35,36)/t17-,18-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 13: 2261-7 (2003) Article DOI: 10.1016/s0960-894x(03)00461-x BindingDB Entry DOI: 10.7270/Q29W0CPW
					More data for this Ligand-Target Pair
CaM Kinase II (Rattus norvegicus (rat))	BDBM6846 (5-{2-[(4-hydroxycyclohexyl)amino]ethyl}-18-methyl-...) Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN[C@H]6CC[C@H](O)CC6)cccc5c4c4C(=O)NC(=O)c4c3c12 |r,wU:18.18,wD:15.14,(3.5,4.11,;3.82,2.6,;5.23,1.97,;5.06,.44,;3.56,.12,;2.79,-1.21,;1.25,-1.21,;.48,.12,;-1.06,.12,;-2.09,-1.02,;-3.5,-.4,;-4.91,-1.02,;-5.07,-2.55,;-6.44,-3.25,;-6.52,-4.79,;-7.89,-5.49,;-9.23,-4.72,;-10.56,-5.49,;-10.56,-7.03,;-11.89,-7.8,;-9.23,-7.8,;-7.89,-7.03,;-6.15,-.12,;-5.99,1.42,;-4.58,2.04,;-3.34,1.14,;-1.83,1.46,;-1.06,2.79,;-1.54,4.25,;-3,4.73,;-.29,5.16,;.95,4.25,;2.42,4.73,;.48,2.79,;1.25,1.46,;2.79,1.46,)| Show InChI InChI=1S/C29H28N4O3/c1-33-14-12-16-5-10-20-22(27(16)33)24-23(28(35)32-29(24)36)21-19-4-2-3-15(25(19)31-26(20)21)11-13-30-17-6-8-18(34)9-7-17/h2-5,10,12,14,17-18,30-31,34H,6-9,11,13H2,1H3,(H,32,35,36)/t17-,18-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					Assay Description In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...				Bioorg Med Chem Lett 13: 2261-7 (2003) Article DOI: 10.1016/s0960-894x(03)00461-x BindingDB Entry DOI: 10.7270/Q29W0CPW
					More data for this Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA) (Bos taurus (bovine))	BDBM6846 (5-{2-[(4-hydroxycyclohexyl)amino]ethyl}-18-methyl-...) Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN[C@H]6CC[C@H](O)CC6)cccc5c4c4C(=O)NC(=O)c4c3c12 |r,wU:18.18,wD:15.14,(3.5,4.11,;3.82,2.6,;5.23,1.97,;5.06,.44,;3.56,.12,;2.79,-1.21,;1.25,-1.21,;.48,.12,;-1.06,.12,;-2.09,-1.02,;-3.5,-.4,;-4.91,-1.02,;-5.07,-2.55,;-6.44,-3.25,;-6.52,-4.79,;-7.89,-5.49,;-9.23,-4.72,;-10.56,-5.49,;-10.56,-7.03,;-11.89,-7.8,;-9.23,-7.8,;-7.89,-7.03,;-6.15,-.12,;-5.99,1.42,;-4.58,2.04,;-3.34,1.14,;-1.83,1.46,;-1.06,2.79,;-1.54,4.25,;-3,4.73,;-.29,5.16,;.95,4.25,;2.42,4.73,;.48,2.79,;1.25,1.46,;2.79,1.46,)| Show InChI InChI=1S/C29H28N4O3/c1-33-14-12-16-5-10-20-22(27(16)33)24-23(28(35)32-29(24)36)21-19-4-2-3-15(25(19)31-26(20)21)11-13-30-17-6-8-18(34)9-7-17/h2-5,10,12,14,17-18,30-31,34H,6-9,11,13H2,1H3,(H,32,35,36)/t17-,18-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.81E+3	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					Assay Description In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...				Bioorg Med Chem Lett 13: 2261-7 (2003) Article DOI: 10.1016/s0960-894x(03)00461-x BindingDB Entry DOI: 10.7270/Q29W0CPW
					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM6846 (5-{2-[(4-hydroxycyclohexyl)amino]ethyl}-18-methyl-...) Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN[C@H]6CC[C@H](O)CC6)cccc5c4c4C(=O)NC(=O)c4c3c12 |r,wU:18.18,wD:15.14,(3.5,4.11,;3.82,2.6,;5.23,1.97,;5.06,.44,;3.56,.12,;2.79,-1.21,;1.25,-1.21,;.48,.12,;-1.06,.12,;-2.09,-1.02,;-3.5,-.4,;-4.91,-1.02,;-5.07,-2.55,;-6.44,-3.25,;-6.52,-4.79,;-7.89,-5.49,;-9.23,-4.72,;-10.56,-5.49,;-10.56,-7.03,;-11.89,-7.8,;-9.23,-7.8,;-7.89,-7.03,;-6.15,-.12,;-5.99,1.42,;-4.58,2.04,;-3.34,1.14,;-1.83,1.46,;-1.06,2.79,;-1.54,4.25,;-3,4.73,;-.29,5.16,;.95,4.25,;2.42,4.73,;.48,2.79,;1.25,1.46,;2.79,1.46,)| Show InChI InChI=1S/C29H28N4O3/c1-33-14-12-16-5-10-20-22(27(16)33)24-23(28(35)32-29(24)36)21-19-4-2-3-15(25(19)31-26(20)21)11-13-30-17-6-8-18(34)9-7-17/h2-5,10,12,14,17-18,30-31,34H,6-9,11,13H2,1H3,(H,32,35,36)/t17-,18-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	25
Lilly Research Laboratories					Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....				Bioorg Med Chem Lett 13: 2261-7 (2003) Article DOI: 10.1016/s0960-894x(03)00461-x BindingDB Entry DOI: 10.7270/Q29W0CPW
					More data for this Ligand-Target Pair