BDBM50496837 CHEMBL3218641

SMILES: [H][C@@]12[#6]-[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6](=O)C([#6])([#6])[#6]-[#8]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc3ccccc3c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-[#6@@H](-[#6]-[#6]-c1ccccc1)-[#7]-[#6]2=O

InChI Key: InChIKey=MHVHZGCFYPNWOB-ZRRDKFOQSA-N

Data: 1 IC50  1 Kd

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 2 hits for monomerid = 50496837   

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
GTPase KRas (Homo sapiens (Human))	BDBM50496837 (CHEMBL3218641) Show SMILES [H][C@@]12[#6]-[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6](=O)C([#6])([#6])[#6]-[#8]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc3ccccc3c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-[#6@@H](-[#6]-[#6]-c1ccccc1)-[#7]-[#6]2=O |r| Show InChI InChI=1S/C74H104FN19O13/c1-4-5-20-55-70(106)107-43-74(2,3)61(97)69(105)94-38-12-11-24-58(94)68(104)86-50(32-28-44-16-7-6-8-17-44)42-60(96)87-54(33-34-59(76)95)65(101)89-51(21-13-35-83-71(77)78)62(98)88-52(22-14-36-84-72(79)80)63(99)93-57(41-46-25-29-47-18-9-10-19-48(47)39-46)66(102)90-53(23-15-37-85-73(81)82)64(100)92-56(67(103)91-55)40-45-26-30-49(75)31-27-45/h6-10,16-19,25-27,29-31,39,50-58H,4-5,11-15,20-24,28,32-38,40-43H2,1-3H3,(H2,76,95)(H,86,104)(H,87,96)(H,88,98)(H,89,101)(H,90,102)(H,91,103)(H,92,100)(H,93,99)(H4,77,78,83)(H4,79,80,84)(H4,81,82,85)/t50-,51+,52+,53+,54+,55-,56+,57-,58+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Inhibition of recombinant HA-tagged K-Ras G12V mutant (unknown origin) assessed as disruption of interaction with GST-tagged Raf-RBD after overnight ...				Medchemcomm 4: 378-382 (2013) Article DOI: 10.1039/c2md20329d BindingDB Entry DOI: 10.7270/Q2CR5X9Q
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50496837 (CHEMBL3218641) Show SMILES [H][C@@]12[#6]-[#6]-[#6]-[#6]-[#7]1-[#6](=O)-[#6](=O)C([#6])([#6])[#6]-[#8]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(F)cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc3ccccc3c1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-[#6@@H](-[#6]-[#6]-c1ccccc1)-[#7]-[#6]2=O |r| Show InChI InChI=1S/C74H104FN19O13/c1-4-5-20-55-70(106)107-43-74(2,3)61(97)69(105)94-38-12-11-24-58(94)68(104)86-50(32-28-44-16-7-6-8-17-44)42-60(96)87-54(33-34-59(76)95)65(101)89-51(21-13-35-83-71(77)78)62(98)88-52(22-14-36-84-72(79)80)63(99)93-57(41-46-25-29-47-18-9-10-19-48(47)39-46)66(102)90-53(23-15-37-85-73(81)82)64(100)92-56(67(103)91-55)40-45-26-30-49(75)31-27-45/h6-10,16-19,25-27,29-31,39,50-58H,4-5,11-15,20-24,28,32-38,40-43H2,1-3H3,(H2,76,95)(H,86,104)(H,87,96)(H,88,98)(H,89,101)(H,90,102)(H,91,103)(H,92,100)(H,93,99)(H4,77,78,83)(H4,79,80,84)(H4,81,82,85)/t50-,51+,52+,53+,54+,55-,56+,57-,58+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Binding affinity to K-Ras G12V mutant (unknown origin) after 2 hrs by fluorescence polarization-based spectrofluorimetric analysis				Medchemcomm 4: 378-382 (2013) Article DOI: 10.1039/c2md20329d BindingDB Entry DOI: 10.7270/Q2CR5X9Q
					More data for this Ligand-Target Pair