BindingDB PrimarySearch

BDBM50289149 GW305074X::GW5074::US10570155, GW5074

SMILES: Oc1c(Br)cc(C=C2C(=O)Nc3ccc(I)cc23)cc1Br

InChI Key: InChIKey=LMXYVLFTZRPNRV-XCVCLJGOSA-N

Data: 7 IC50 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50289149
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
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50289149 (GW305074X \| GW5074 \| US10570155, GW5074) Show SMILES Oc1c(Br)cc(C=C2C(=O)Nc3ccc(I)cc23)cc1Br Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology (KIST) Curated by ChEMBL					Assay Description Inhibition of BRAF (unknown origin)				Eur J Med Chem 141: 657-675 (2017) Article DOI: 10.1016/j.ejmech.2017.10.003 BindingDB Entry DOI: 10.7270/Q2CV4M86
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50289149 (GW305074X \| GW5074 \| US10570155, GW5074) Show SMILES Oc1c(Br)cc(C=C2C(=O)Nc3ccc(I)cc23)cc1Br Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.52	n/a	n/a	n/a	n/a	n/a	n/a
KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY US Patent					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				US Patent US10570155 (2020) BindingDB Entry DOI: 10.7270/Q2N300B1
KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY US Patent					More data for this Ligand-Target Pair
B-RAF V600E (Homo sapiens (Human))	BDBM50289149 (GW305074X \| GW5074 \| US10570155, GW5074) Show SMILES Oc1c(Br)cc(C=C2C(=O)Nc3ccc(I)cc23)cc1Br Show InChI	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.96	n/a	n/a	n/a	n/a	n/a	n/a
KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY US Patent					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				US Patent US10570155 (2020) BindingDB Entry DOI: 10.7270/Q2N300B1
KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY US Patent					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50289149 (GW305074X \| GW5074 \| US10570155, GW5074) Show SMILES Oc1c(Br)cc(C=C2C(=O)Nc3ccc(I)cc23)cc1Br Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.58	n/a	n/a	n/a	n/a	n/a	n/a
KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY US Patent					Assay Description Reaction biology kinase hotspot service (http://www.reactionbiology.com) was used to measure IC50. In a final reaction volume of 25 μL, kinase (...				US Patent US10570155 (2020) BindingDB Entry DOI: 10.7270/Q2N300B1
KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY US Patent					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50289149 (GW305074X \| GW5074 \| US10570155, GW5074) Show SMILES Oc1c(Br)cc(C=C2C(=O)Nc3ccc(I)cc23)cc1Br Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50289149 (GW305074X \| GW5074 \| US10570155, GW5074) Show SMILES Oc1c(Br)cc(C=C2C(=O)Nc3ccc(I)cc23)cc1Br Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a
National Institutes of Health					Assay Description SARS-CoV-2 CPE assay was conducted at Southern Research Institute (Birmingham, AL) as described in previous reports30, 31. In brief, high ACE2 expres...				bioRxiv (2020) Article DOI: 10.1101/2020.07.17.207019 BindingDB Entry DOI: 10.7270/Q20G3NJM
National Institutes of Health					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50289149 (GW305074X \| GW5074 \| US10570155, GW5074) Show SMILES Oc1c(Br)cc(C=C2C(=O)Nc3ccc(I)cc23)cc1Br Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of CRAF (unknown origin)				Bioorg Med Chem Lett 29: 534-538 (2019) Article DOI: 10.1016/j.bmcl.2019.01.003
Hanyang University Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50289149 (GW305074X \| GW5074 \| US10570155, GW5074) Show SMILES Oc1c(Br)cc(C=C2C(=O)Nc3ccc(I)cc23)cc1Br Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of BRAF V600E mutant (unknown origin)				Bioorg Med Chem Lett 29: 534-538 (2019) Article DOI: 10.1016/j.bmcl.2019.01.003
Hanyang University Curated by ChEMBL					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50289149 (GW305074X \| GW5074 \| US10570155, GW5074) Show SMILES Oc1c(Br)cc(C=C2C(=O)Nc3ccc(I)cc23)cc1Br Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health					Assay Description The 3CLpro enzyme assay was developed in 384-well black, medium binding microplates (Greiner Bio-One, Monroe, NC, USA) with a total volume of 20 _...				bioRxiv (2020) Article DOI: 10.1101/2020.07.17.207019 BindingDB Entry DOI: 10.7270/Q20G3NJM
National Institutes of Health					More data for this Ligand-Target Pair