Affinity Data by PDB ID

PDB code 3C4C

Identical Ligands in BindingDB

Found 11 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Serine/threonine-protein kinase B-raf (264/278 = 95%)^† (Homo sapiens (Human))	BDBM25617 (N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of B-Raf				J Med Chem 55: 7332-41 (2012) Article DOI: 10.1021/jm300613w BindingDB Entry DOI: 10.7270/Q29K4CC8
Takeda California Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf [V600E] (263/278 = 95%)^† (Homo sapiens (Human))	BDBM25617 (N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.0	22
Plexxikon					Assay Description The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...				Proc Natl Acad Sci U S A 105: 3041-6 (2008) Article DOI: 10.1073/pnas.0711741105 BindingDB Entry DOI: 10.7270/Q2SB441T
Plexxikon					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (264/278 = 95%)^† (Homo sapiens (Human))	BDBM25617 (N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Albert Einstein College of Medicine Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged BRAF V600E mutant (unknown origin) expressed in baculovirus infected insect cells co-expressing CDC37 using bioti...				J Med Chem 61: 5775-5793 (2018) Article DOI: 10.1021/acs.jmedchem.7b01306 BindingDB Entry DOI: 10.7270/Q2J968ZT
Albert Einstein College of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (264/278 = 95%)^† (Homo sapiens (Human))	BDBM25617 (N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of wild-type B-Raf				Bioorg Med Chem Lett 22: 789-92 (2012) Article DOI: 10.1016/j.bmcl.2011.11.060 BindingDB Entry DOI: 10.7270/Q2SQ90VM
Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (264/278 = 95%)^† (Homo sapiens (Human))	BDBM25617 (N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Albert Einstein College of Medicine Curated by ChEMBL					Assay Description Inhibition of BRAF V600E mutant in human A375 cells assessed as reduction in ERK phosphorylation by AlphaScreen assay				J Med Chem 61: 5775-5793 (2018) Article DOI: 10.1021/acs.jmedchem.7b01306 BindingDB Entry DOI: 10.7270/Q2J968ZT
Albert Einstein College of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (264/278 = 95%)^† (Homo sapiens (Human))	BDBM25617 (N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of b-Raf in human A375 cells assessed phosphorylation of ERK				J Med Chem 55: 7332-41 (2012) Article DOI: 10.1021/jm300613w BindingDB Entry DOI: 10.7270/Q29K4CC8
Takeda California Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (264/278 = 95%)^† (Homo sapiens (Human))	BDBM25617 (N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	7.0	22
Plexxikon					Assay Description The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...				Proc Natl Acad Sci U S A 105: 3041-6 (2008) Article DOI: 10.1073/pnas.0711741105 BindingDB Entry DOI: 10.7270/Q2SB441T
Plexxikon					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (264/278 = 95%)^† (Homo sapiens (Human))	BDBM25617 (N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of B-Raf in presence of 100 uM ATP				J Med Chem 55: 7332-41 (2012) Article DOI: 10.1021/jm300613w BindingDB Entry DOI: 10.7270/Q29K4CC8
Takeda California Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (264/278 = 95%)^† (Homo sapiens (Human))	BDBM25617 (N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of B-Raf V600E mutant (unknown origin) by lantha screen assay				Bioorg Med Chem Lett 26: 819-23 (2016) Article DOI: 10.1016/j.bmcl.2015.12.086 BindingDB Entry DOI: 10.7270/Q2W097S9
Shanghai Hengrui Pharmaceutical Co., Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (264/278 = 95%)^† (Homo sapiens (Human))	BDBM25617 (N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for BRAF kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (264/278 = 95%)^† (Homo sapiens (Human))	BDBM25617 (N-[3-({5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl}carb...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for BRAF(V600E) kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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Change energy units to: kcal/mole

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output