BDBM50167285 CHEMBL3797780

SMILES: Cc1c(cnc2[nH]cnc12)-n1c2cn[nH]c2c2cc(F)ccc12

InChI Key: InChIKey=RRCNPYRCOUOTDZ-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 = 50167285   

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
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50167285 (CHEMBL3797780) Show SMILES Cc1c(cnc2[nH]cnc12)-n1c2cn[nH]c2c2cc(F)ccc12 |(-2.83,-3.91,;-1.7,-4.41,;-.44,-3.51,;.97,-4.14,;1.13,-5.69,;-.13,-6.58,;-.31,-8.1,;-1.82,-8.4,;-2.56,-7.08,;-1.53,-5.95,;-.45,-1.97,;.76,-1.05,;2.33,-1.05,;2.8,.38,;1.54,1.31,;.31,.38,;-1.24,.38,;-2.28,1.57,;-3.78,1.21,;-4.58,2.15,;-4.28,,;-3.23,-1.4,;-1.71,-1.05,)| Show InChI InChI=1S/C16H11FN6/c1-8-12(5-18-16-14(8)19-7-20-16)23-11-3-2-9(17)4-10(11)15-13(23)6-21-22-15/h2-7H,1H3,(H,21,22)(H,18,19,20)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	251	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of human MetAP2 in HUVEC cells assessed as accumulation of N-Met 14-3-3gamma after 24 hrs by western blot analysis				Bioorg Med Chem Lett 26: 2779-2783 (2016) Article DOI: 10.1016/j.bmcl.2016.04.072 BindingDB Entry DOI: 10.7270/Q29P33K9
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50167285 (CHEMBL3797780) Show SMILES Cc1c(cnc2[nH]cnc12)-n1c2cn[nH]c2c2cc(F)ccc12 |(-2.83,-3.91,;-1.7,-4.41,;-.44,-3.51,;.97,-4.14,;1.13,-5.69,;-.13,-6.58,;-.31,-8.1,;-1.82,-8.4,;-2.56,-7.08,;-1.53,-5.95,;-.45,-1.97,;.76,-1.05,;2.33,-1.05,;2.8,.38,;1.54,1.31,;.31,.38,;-1.24,.38,;-2.28,1.57,;-3.78,1.21,;-4.58,2.15,;-4.28,,;-3.23,-1.4,;-1.71,-1.05,)| Show InChI InChI=1S/C16H11FN6/c1-8-12(5-18-16-14(8)19-7-20-16)23-11-3-2-9(17)4-10(11)15-13(23)6-21-22-15/h2-7H,1H3,(H,21,22)(H,18,19,20)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	<5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 expressed in Escherichia coli DH5alpha				Bioorg Med Chem Lett 26: 2779-2783 (2016) Article DOI: 10.1016/j.bmcl.2016.04.072 BindingDB Entry DOI: 10.7270/Q29P33K9
					More data for this Ligand-Target Pair
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50167285 (CHEMBL3797780) Show SMILES Cc1c(cnc2[nH]cnc12)-n1c2cn[nH]c2c2cc(F)ccc12 |(-2.83,-3.91,;-1.7,-4.41,;-.44,-3.51,;.97,-4.14,;1.13,-5.69,;-.13,-6.58,;-.31,-8.1,;-1.82,-8.4,;-2.56,-7.08,;-1.53,-5.95,;-.45,-1.97,;.76,-1.05,;2.33,-1.05,;2.8,.38,;1.54,1.31,;.31,.38,;-1.24,.38,;-2.28,1.57,;-3.78,1.21,;-4.58,2.15,;-4.28,,;-3.23,-1.4,;-1.71,-1.05,)| Show InChI InChI=1S/C16H11FN6/c1-8-12(5-18-16-14(8)19-7-20-16)23-11-3-2-9(17)4-10(11)15-13(23)6-21-22-15/h2-7H,1H3,(H,21,22)(H,18,19,20)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Inhibition of recombinant full-length human MetAP2 catalytic domain (110 to 478 residues) expressed in baculovirus using Met-AMC as substrate by fluo...				Bioorg Med Chem Lett 26: 2779-2783 (2016) Article DOI: 10.1016/j.bmcl.2016.04.072 BindingDB Entry DOI: 10.7270/Q29P33K9
					More data for this Ligand-Target Pair