BindingDB PrimarySearch

BDBM6760 (+)-K-252a::CHEMBL281948::K-252a::methyl (15S,16R,18R)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8(13),9,11,20(25),21,23-nonaene-16-carboxylate

SMILES: COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

InChI Key: InChIKey=KOZFSFOOLUUIGY-BEJFKGIZSA-N

Data: 1 KI 19 IC50

PDB links: 5 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 6760
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Myosin light chain kinase, smooth muscle (Homo sapiens (Human))	BDBM6760 ((+)-K-252a \| CHEMBL281948 \| K-252a \| methyl (15S,1...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Inhibition of MLCK by HTRF assay				Bioorg Med Chem 19: 429-39 (2011) Article DOI: 10.1016/j.bmc.2010.11.007 BindingDB Entry DOI: 10.7270/Q22F7NQN
					More data for this Ligand-Target Pair
Protein kinase C (PKC) (Rattus norvegicus)	BDBM6760 ((+)-K-252a \| CHEMBL281948 \| K-252a \| methyl (15S,1...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of protein kinase C				J Med Chem 40: 2994-6 (1997) Article DOI: 10.1021/jm9702037 BindingDB Entry DOI: 10.7270/Q2377CF0
Cephalon, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Mixed Lineage Kinase 1 (MLK1) (Homo sapiens (Human))	BDBM6760 ((+)-K-252a \| CHEMBL281948 \| K-252a \| methyl (15S,1...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	7.2	37
Cephalon					Assay Description The MLK1, MLK2, and MLK3 assays were performed using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. IC50 values were calculate...				J Med Chem 50: 433-41 (2007) Article DOI: 10.1021/jm051074u BindingDB Entry DOI: 10.7270/Q2HT2MJX
Cephalon					More data for this Ligand-Target Pair
Mixed Lineage Kinase 3 (MLK3) (Homo sapiens (Human))	BDBM6760 ((+)-K-252a \| CHEMBL281948 \| K-252a \| methyl (15S,1...) Show SMILES Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon					Assay Description The MLK1, MLK2, and MLK3 assays were performed using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. IC50 values were calculate...				J Med Chem 50: 433-41 (2007) Article DOI: 10.1021/jm051074u BindingDB Entry DOI: 10.7270/Q2HT2MJX
Cephalon					More data for this Ligand-Target Pair
Mixed Lineage Kinase 2 (MLK2) (Homo sapiens (Human))	BDBM6760 ((+)-K-252a \| CHEMBL281948 \| K-252a \| methyl (15S,1...) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon					Assay Description The MLK1, MLK2, and MLK3 assays were performed using the Millipore multiscreen trichloroacetic acid (TCA) in-plate format. IC50 values were calculate...				J Med Chem 50: 433-41 (2007) Article DOI: 10.1021/jm051074u BindingDB Entry DOI: 10.7270/Q2HT2MJX
Cephalon					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM6760 ((+)-K-252a \| CHEMBL281948 \| K-252a \| methyl (15S,1...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	7.6	30
Vertex Pharmaceuticals					Assay Description A coupled-enzyme assay was used to quantify the ADP generated in the kinase reaction with S6 peptide (RRRLSSLRA) as the phosphoacceptorsubstrate.				J Biol Chem 280: 13728-34 (2005) Article DOI: 10.1074/jbc.M413155200 BindingDB Entry DOI: 10.7270/Q2222S06
Vertex Pharmaceuticals					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM6760 ((+)-K-252a \| CHEMBL281948 \| K-252a \| methyl (15S,1...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of VEGF-receptor 2 (KDR)				Bioorg Med Chem Lett 12: 2829-31 (2002) BindingDB Entry DOI: 10.7270/Q2Z037H2
Cephalon, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM6760 ((+)-K-252a \| CHEMBL281948 \| K-252a \| methyl (15S,1...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of nerve growth factor receptor, trkA				Bioorg Med Chem Lett 12: 2829-31 (2002) BindingDB Entry DOI: 10.7270/Q2Z037H2
Cephalon, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Myosin light chain kinase, smooth muscle (Homo sapiens (Human))	BDBM6760 ((+)-K-252a \| CHEMBL281948 \| K-252a \| methyl (15S,1...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of Myosin light chain kinase 1 (MLCK1)				Bioorg Med Chem Lett 12: 2829-31 (2002) BindingDB Entry DOI: 10.7270/Q2Z037H2
Cephalon, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Myosin light chain kinase, smooth muscle (Gallus gallus (chicken))	BDBM6760 ((+)-K-252a \| CHEMBL281948 \| K-252a \| methyl (15S,1...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of Smooth muscle myosin light chain kinase of chicken gizzard				J Med Chem 40: 1863-9 (1997) Article DOI: 10.1021/jm970031d BindingDB Entry DOI: 10.7270/Q2W95891
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM6760 ((+)-K-252a \| CHEMBL281948 \| K-252a \| methyl (15S,1...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Ability to inhibit human trk A tyrosine kinase expressed in baculovirus using ELISA based enzyme assay was determined				J Med Chem 40: 1863-9 (1997) Article DOI: 10.1021/jm970031d BindingDB Entry DOI: 10.7270/Q2W95891
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclic AMP-dependent protein kinase (PKA) (Oryctolagus cuniculus (Rabbit))	BDBM6760 ((+)-K-252a \| CHEMBL281948 \| K-252a \| methyl (15S,1...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.0160	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of cAMP dependent Protein kinase A of rabbit Skeletal Muscle.				J Med Chem 40: 1863-9 (1997) Article DOI: 10.1021/jm970031d BindingDB Entry DOI: 10.7270/Q2W95891
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase C (PKC) (Homo sapiens (Human))	BDBM6760 ((+)-K-252a \| CHEMBL281948 \| K-252a \| methyl (15S,1...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of protein kinase C (PKC)				Bioorg Med Chem Lett 12: 2829-31 (2002) BindingDB Entry DOI: 10.7270/Q2Z037H2
Cephalon, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase C (PKC) (Homo sapiens (Human))	BDBM6760 ((+)-K-252a \| CHEMBL281948 \| K-252a \| methyl (15S,1...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of protein kinase C				Citation and Details BindingDB Entry DOI: 10.7270/Q27946V3
TBA					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM6760 ((+)-K-252a \| CHEMBL281948 \| K-252a \| methyl (15S,1...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of baculovirus expressed human trkA				J Med Chem 48: 3776-83 (2005) Article DOI: 10.1021/jm040178m BindingDB Entry DOI: 10.7270/Q2HX1C66
Cephalon, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase C (PKC) (Homo sapiens (Human))	BDBM6760 ((+)-K-252a \| CHEMBL281948 \| K-252a \| methyl (15S,1...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of protein kinase C				Citation and Details BindingDB Entry DOI: 10.7270/Q2HX1FVJ
TBA					More data for this Ligand-Target Pair
Protein kinase C (PKC) (Homo sapiens (Human))	BDBM6760 ((+)-K-252a \| CHEMBL281948 \| K-252a \| methyl (15S,1...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of protein kinase C (PKC) isozyme				Citation and Details Article DOI: 10.1016/0960-894X(94)80024-3 BindingDB Entry DOI: 10.7270/Q2D50QPQ
TBA					More data for this Ligand-Target Pair
Protein kinase C (PKC) (Rattus norvegicus)	BDBM6760 ((+)-K-252a \| CHEMBL281948 \| K-252a \| methyl (15S,1...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro inhibition of protein kinase C from rat brain.				Citation and Details Article DOI: 10.1016/S0960-894X(01)80356-5 BindingDB Entry DOI: 10.7270/Q25M68DB
TBA					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM6760 ((+)-K-252a \| CHEMBL281948 \| K-252a \| methyl (15S,1...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.0	22
DCR&T, Lilly Spain S.A.					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: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
DCR&T, Lilly Spain S.A.					More data for this Ligand-Target Pair
CDK2/CycE (Homo sapiens (Human))	BDBM6760 ((+)-K-252a \| CHEMBL281948 \| K-252a \| methyl (15S,1...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	25
DCR&T, Lilly Spain S.A.					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: 3841-6 (2003) Article DOI: 10.1016/S0960-894X(03)00792-3 BindingDB Entry DOI: 10.7270/Q2FN14C5
DCR&T, Lilly Spain S.A.					More data for this Ligand-Target Pair