BDBM200460 US10011599, Example 89::US9227969, 89::US9629836, 89

SMILES: Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2nccc(CO)n2)cc1Cl

InChI Key: InChIKey=MMDRIRJGXNRLBH-OZXSUGGESA-N

Data: 3 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 3 hits for monomerid = 200460   

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
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM200460 (US10011599, Example 89 | US9227969, 89 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2nccc(CO)n2)cc1Cl |r| Show InChI InChI=1S/C29H25ClF2N6O4/c1-15-35-25-11-34-24-10-22(31)19(18-3-2-17(8-21(18)30)42-29-33-6-4-16(13-39)36-29)9-20(24)28(25)38(15)26-5-7-37(12-23(26)32)27(41)14-40/h2-4,6,8-11,23,26,39-40H,5,7,12-14H2,1H3/t23-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An enzymatic cascade assay i...				US Patent US9227969 (2016) BindingDB Entry DOI: 10.7270/Q2W094RM
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM200460 (US10011599, Example 89 | US9227969, 89 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2nccc(CO)n2)cc1Cl |r| Show InChI InChI=1S/C29H25ClF2N6O4/c1-15-35-25-11-34-24-10-22(31)19(18-3-2-17(8-21(18)30)42-29-33-6-4-16(13-39)36-29)9-20(24)28(25)38(15)26-5-7-37(12-23(26)32)27(41)14-40/h2-4,6,8-11,23,26,39-40H,5,7,12-14H2,1H3/t23-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc.					Assay Description [MEK1 1mM ATP IC50 uM] A BRAF-MEK-ERK cascade assay is used to evaluate the effects of these compounds as inhibitors of the MAP kinase pathway. An en...				Bioorg Med Chem 17: 3130-41 (2009) BindingDB Entry DOI: 10.7270/Q2W37ZNG
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 [K97R] (Homo sapiens (Human))	BDBM200460 (US10011599, Example 89 | US9227969, 89 | US9629836...) Show SMILES Cc1nc2cnc3cc(F)c(cc3c2n1[C@H]1CCN(C[C@@H]1F)C(=O)CO)-c1ccc(Oc2nccc(CO)n2)cc1Cl |r| Show InChI InChI=1S/C29H25ClF2N6O4/c1-15-35-25-11-34-24-10-22(31)19(18-3-2-17(8-21(18)30)42-29-33-6-4-16(13-39)36-29)9-20(24)28(25)38(15)26-5-7-37(12-23(26)32)27(41)14-40/h2-4,6,8-11,23,26,39-40H,5,7,12-14H2,1H3/t23-,26-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The radioactive filter binding assay is standardized using recombinant human activated BRAF (V599E) kinase (Cat No. 14-557) and kinase dead MEK1 (K97...				US Patent US9629836 (2017) BindingDB Entry DOI: 10.7270/Q2PN97RJ
					More data for this Ligand-Target Pair