BDBM210051 US10576087, Compound 2.29::US9273046, 2.29::US9895376, Compound 2.29

SMILES: O=C1CCc2c(Oc3ccc4OC5C(C5c4c3)c3nc(no3)-c3ccccc3)ccnc2N1

InChI Key: InChIKey=IBODLCSYFMEGAG-UHFFFAOYSA-N

Data: 6 IC50

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 6 hits for monomerid = 210051   

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))	BDBM210051 (US10576087, Compound 2.29 | US9273046, 2.29 | US98...) Show SMILES O=C1CCc2c(Oc3ccc4OC5C(C5c4c3)c3nc(no3)-c3ccccc3)ccnc2N1 Show InChI InChI=1S/C25H18N4O4/c30-19-9-7-15-18(10-11-26-24(15)27-19)31-14-6-8-17-16(12-14)20-21(22(20)32-17)25-28-23(29-33-25)13-4-2-1-3-5-13/h1-6,8,10-12,20-22H,7,9H2,(H,26,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	25
BeiGene, LTD. US Patent					Assay Description Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...				US Patent US9273046 (2016) BindingDB Entry DOI: 10.7270/Q28G8JK6
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM210051 (US10576087, Compound 2.29 | US9273046, 2.29 | US98...) Show SMILES O=C1CCc2c(Oc3ccc4OC5C(C5c4c3)c3nc(no3)-c3ccccc3)ccnc2N1 Show InChI InChI=1S/C25H18N4O4/c30-19-9-7-15-18(10-11-26-24(15)27-19)31-14-6-8-17-16(12-14)20-21(22(20)32-17)25-28-23(29-33-25)13-4-2-1-3-5-13/h1-6,8,10-12,20-22H,7,9H2,(H,26,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.25	n/a	n/a	n/a	n/a	n/a	25
BeiGene, LTD. US Patent					Assay Description Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...				US Patent US9273046 (2016) BindingDB Entry DOI: 10.7270/Q28G8JK6
					More data for this Ligand-Target Pair
C-Raf (Y340D/Y341D) (Homo sapiens (Human))	BDBM210051 (US10576087, Compound 2.29 | US9273046, 2.29 | US98...) Show SMILES O=C1CCc2c(Oc3ccc4OC5C(C5c4c3)c3nc(no3)-c3ccccc3)ccnc2N1 Show InChI InChI=1S/C25H18N4O4/c30-19-9-7-15-18(10-11-26-24(15)27-19)31-14-6-8-17-16(12-14)20-21(22(20)32-17)25-28-23(29-33-25)13-4-2-1-3-5-13/h1-6,8,10-12,20-22H,7,9H2,(H,26,27,30)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.25	n/a	n/a	n/a	n/a	n/a	n/a
BEIGENE, LTD. US Patent					Assay Description Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...				US Patent US10576087 (2020) BindingDB Entry DOI: 10.7270/Q2HM5BVQ
					More data for this Ligand-Target Pair
C-RAF (Y340D Y341D) (Homo sapiens (Human))	BDBM210051 (US10576087, Compound 2.29 | US9273046, 2.29 | US98...) Show SMILES O=C1CCc2c(Oc3ccc4OC5C(C5c4c3)c3nc(no3)-c3ccccc3)ccnc2N1 Show InChI InChI=1S/C25H18N4O4/c30-19-9-7-15-18(10-11-26-24(15)27-19)31-14-6-8-17-16(12-14)20-21(22(20)32-17)25-28-23(29-33-25)13-4-2-1-3-5-13/h1-6,8,10-12,20-22H,7,9H2,(H,26,27,30)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.25	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2V40XG6
					More data for this Ligand-Target Pair
B-RAF V600E (Homo sapiens (Human))	BDBM210051 (US10576087, Compound 2.29 | US9273046, 2.29 | US98...) Show SMILES O=C1CCc2c(Oc3ccc4OC5C(C5c4c3)c3nc(no3)-c3ccccc3)ccnc2N1 Show InChI InChI=1S/C25H18N4O4/c30-19-9-7-15-18(10-11-26-24(15)27-19)31-14-6-8-17-16(12-14)20-21(22(20)32-17)25-28-23(29-33-25)13-4-2-1-3-5-13/h1-6,8,10-12,20-22H,7,9H2,(H,26,27,30)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
BEIGENE, LTD. US Patent					Assay Description Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...				US Patent US10576087 (2020) BindingDB Entry DOI: 10.7270/Q2HM5BVQ
					More data for this Ligand-Target Pair
B-RAF V600E (Homo sapiens (Human))	BDBM210051 (US10576087, Compound 2.29 | US9273046, 2.29 | US98...) Show SMILES O=C1CCc2c(Oc3ccc4OC5C(C5c4c3)c3nc(no3)-c3ccccc3)ccnc2N1 Show InChI InChI=1S/C25H18N4O4/c30-19-9-7-15-18(10-11-26-24(15)27-19)31-14-6-8-17-16(12-14)20-21(22(20)32-17)25-28-23(29-33-25)13-4-2-1-3-5-13/h1-6,8,10-12,20-22H,7,9H2,(H,26,27,30)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute					Assay Description Compounds disclosed herein were tested against B-Raf (V600E) (PV3849, from Invitrogen) or C-Raf (Y340D/Y341D) (PV3805, from Invitrogen) in a time-res...				J Med Chem 50: 3686-95 (2007) BindingDB Entry DOI: 10.7270/Q2V40XG6
					More data for this Ligand-Target Pair