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SMILES: Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2cccc(F)c2)n1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50585081   

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 B-raf (Homo sapiens (Human))	BDBM50585081 (CHEMBL5086749) Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2cccc(F)c2)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human wild type BRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation count...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00230 BindingDB Entry DOI: 10.7270/Q2RV0SMN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50585081 (CHEMBL5086749) Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2cccc(F)c2)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BRAF V600E mutant using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation co...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00230 BindingDB Entry DOI: 10.7270/Q2RV0SMN
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50585081 (CHEMBL5086749) Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2cccc(F)c2)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human wild type CRAF using myelin basic protein as substrate in presence of [gamma-33P]ATP incubated for 40 mins by scintillation count...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00230 BindingDB Entry DOI: 10.7270/Q2RV0SMN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50585081 (CHEMBL5086749) Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2cccc(F)c2)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ABL1 (unknown origin) incubated for 1 hr by qPCR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00230 BindingDB Entry DOI: 10.7270/Q2RV0SMN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50585081 (CHEMBL5086749) Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2cccc(F)c2)n1 Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ERN1 (unknown origin) incubated for 1 hr by qPCR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00230 BindingDB Entry DOI: 10.7270/Q2RV0SMN
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50585081 (CHEMBL5086749) Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2cccc(F)c2)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FGFR1 (unknown origin) incubated for 1 hr by qPCR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00230 BindingDB Entry DOI: 10.7270/Q2RV0SMN
					More data for this Ligand-Target Pair
BDNF/NT-3 growth factors receptor (Homo sapiens (Human))	BDBM50585081 (CHEMBL5086749) Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2cccc(F)c2)n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of NTRK2 (unknown origin) incubated for 1 hr by qPCR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00230 BindingDB Entry DOI: 10.7270/Q2RV0SMN
					More data for this Ligand-Target Pair
Homeodomain-interacting protein kinase 1 (Homo sapiens (Human))	BDBM50585081 (CHEMBL5086749) Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2cccc(F)c2)n1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HIPK1 (unknown origin) incubated for 1 hr by qPCR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00230 BindingDB Entry DOI: 10.7270/Q2RV0SMN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50585081 (CHEMBL5086749) Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2cccc(F)c2)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAPK8 (unknown origin) incubated for 1 hr by qPCR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00230 BindingDB Entry DOI: 10.7270/Q2RV0SMN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11 (Homo sapiens (Human))	BDBM50585081 (CHEMBL5086749) Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2cccc(F)c2)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAPK11 (unknown origin) incubated for 1 hr by qPCR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00230 BindingDB Entry DOI: 10.7270/Q2RV0SMN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50585081 (CHEMBL5086749) Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2cccc(F)c2)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MAPK14 (unknown origin) incubated for 1 hr by qPCR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00230 BindingDB Entry DOI: 10.7270/Q2RV0SMN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 20 (Homo sapiens (Human))	BDBM50585081 (CHEMBL5086749) Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2cccc(F)c2)n1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of ZAK (unknown origin) incubated for 1 hr by qPCR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00230 BindingDB Entry DOI: 10.7270/Q2RV0SMN
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50585081 (CHEMBL5086749) Show SMILES Oc1cccc(c1)-c1nc2sccn2c1-c1ccnc(NCCCNS(=O)(=O)c2cccc(F)c2)n1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FLT3 (unknown origin) incubated for 1 hr by qPCR analysis				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00230 BindingDB Entry DOI: 10.7270/Q2RV0SMN
					More data for this Ligand-Target Pair