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SMILES: O=C1CCc2c(Oc3ccc4CC5C(C5c4c3)c3nc4ccccc4s3)ccnc2N1

InChI Key: InChIKey=IXJJQTYDLOSUBW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 210036   

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))	BDBM210036 (US10576087, Compound 1.3 | US9273046, 1.3) Show SMILES O=C1CCc2c(Oc3ccc4CC5C(C5c4c3)c3nc4ccccc4s3)ccnc2N1 Show InChI InChI=1S/C25H19N3O2S/c29-21-8-7-15-19(9-10-26-24(15)28-21)30-14-6-5-13-11-17-22(16(13)12-14)23(17)25-27-18-3-1-2-4-20(18)31-25/h1-6,9-10,12,17,22-23H,7-8,11H2,(H,26,28,29)	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	88	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 [306-648,Y340D,Y341D] (Homo sapiens (Human))	BDBM210036 (US10576087, Compound 1.3 | US9273046, 1.3) Show SMILES O=C1CCc2c(Oc3ccc4CC5C(C5c4c3)c3nc4ccccc4s3)ccnc2N1 Show InChI InChI=1S/C25H19N3O2S/c29-21-8-7-15-19(9-10-26-24(15)28-21)30-14-6-5-13-11-17-22(16(13)12-14)23(17)25-27-18-3-1-2-4-20(18)31-25/h1-6,9-10,12,17,22-23H,7-8,11H2,(H,26,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM210036 (US10576087, Compound 1.3 | US9273046, 1.3) Show SMILES O=C1CCc2c(Oc3ccc4CC5C(C5c4c3)c3nc4ccccc4s3)ccnc2N1 Show InChI InChI=1S/C25H19N3O2S/c29-21-8-7-15-19(9-10-26-24(15)28-21)30-14-6-5-13-11-17-22(16(13)12-14)23(17)25-27-18-3-1-2-4-20(18)31-25/h1-6,9-10,12,17,22-23H,7-8,11H2,(H,26,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	88	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
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM210036 (US10576087, Compound 1.3 | US9273046, 1.3) Show SMILES O=C1CCc2c(Oc3ccc4CC5C(C5c4c3)c3nc4ccccc4s3)ccnc2N1 Show InChI InChI=1S/C25H19N3O2S/c29-21-8-7-15-19(9-10-26-24(15)28-21)30-14-6-5-13-11-17-22(16(13)12-14)23(17)25-27-18-3-1-2-4-20(18)31-25/h1-6,9-10,12,17,22-23H,7-8,11H2,(H,26,28,29)	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	5.5	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