BDBM3040 23-(3-aminopropyl)-3-methyl-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaen-12-one::Indolocarbazole deriv. 3h

SMILES: Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCCN)c3c12

InChI Key: InChIKey=YDMFMASUROFRIE-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 30 PDB IDs contain this monomer as substructures. 30 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 3040   

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
Myosin light chain kinase, smooth muscle (Gallus gallus (chicken))	BDBM3040 (23-(3-aminopropyl)-3-methyl-3,13,23-triazahexacycl...) Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCCN)c3c12 Show InChI InChI=1S/C24H22N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,11-13,25H2,1H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	18	n/a	n/a	n/a	n/a	7.2	30
Tumor Biology Center					Assay Description The activity of MLCK is measured by its ability to transfer 32P from [gamma-32P]ATP to myosin light-chain.				Bioorg Med Chem Lett 5: 55-60 (1995) Article DOI: 10.1016/0960-894X(94)00458-R BindingDB Entry DOI: 10.7270/Q2CF9N8C
					More data for this Ligand-Target Pair
Protein Kinase C (Rattus norvegicus (rat))	BDBM3040 (23-(3-aminopropyl)-3-methyl-3,13,23-triazahexacycl...) Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCCN)c3c12 Show InChI InChI=1S/C24H22N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,11-13,25H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Tumor Biology Center					Assay Description The activity of PKC, activated by phosphatidylserine and Ca2+, is measured by its ability to transfer phosphate from [gamma-32P]ATP to lysine-rich hi...				Bioorg Med Chem Lett 5: 55-60 (1995) Article DOI: 10.1016/0960-894X(94)00458-R BindingDB Entry DOI: 10.7270/Q2CF9N8C
					More data for this Ligand-Target Pair
Myosin light chain kinase, smooth muscle (Homo sapiens (Human))	BDBM3040 (23-(3-aminopropyl)-3-methyl-3,13,23-triazahexacycl...) Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCCN)c3c12 Show InChI InChI=1S/C24H22N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,11-13,25H2,1H3,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Tumor Biology Center					Assay Description Tested for inhibition of Myosin light chain kinase from chicken gizzard				Bioorg Med Chem Lett 5: 55-60 (1995) Article DOI: 10.1016/0960-894X(94)00458-R BindingDB Entry DOI: 10.7270/Q2CF9N8C
					More data for this Ligand-Target Pair
cGMP-Dependent Protein Kinase (Bos taurus (bovine))	BDBM3040 (23-(3-aminopropyl)-3-methyl-3,13,23-triazahexacycl...) Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCCN)c3c12 Show InChI InChI=1S/C24H22N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,11-13,25H2,1H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Tumor Biology Center					Assay Description The activity of cGPK, activated by cGMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.				Bioorg Med Chem Lett 5: 55-60 (1995) Article DOI: 10.1016/0960-894X(94)00458-R BindingDB Entry DOI: 10.7270/Q2CF9N8C
					More data for this Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA) (Bos taurus (bovine))	BDBM3040 (23-(3-aminopropyl)-3-methyl-3,13,23-triazahexacycl...) Show SMILES Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCCN)c3c12 Show InChI InChI=1S/C24H22N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,11-13,25H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Tumor Biology Center					Assay Description The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.				Bioorg Med Chem Lett 5: 55-60 (1995) Article DOI: 10.1016/0960-894X(94)00458-R BindingDB Entry DOI: 10.7270/Q2CF9N8C
					More data for this Ligand-Target Pair