BDBM50167274 CHEMBL3797399

SMILES: Cc1nc2[nH]cnc2cc1-n1c2cn[nH]c2c2cc(F)ccc12

InChI Key: InChIKey=BGVWCIRYUNODHW-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 = 50167274   

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
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50167274 (CHEMBL3797399) Show SMILES Cc1nc2[nH]cnc2cc1-n1c2cn[nH]c2c2cc(F)ccc12 |(-2.8,-3.87,;-1.69,-4.39,;-1.56,-5.94,;-.15,-6.58,;.31,-8.04,;1.85,-8.05,;2.33,-6.62,;1.1,-5.7,;.98,-4.16,;-.44,-3.51,;-.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/c1-8-13(5-11-16(21-8)19-7-18-11)23-12-3-2-9(17)4-10(12)15-14(23)6-20-22-15/h2-7H,1H3,(H,20,22)(H,18,19,21)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+3	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))	BDBM50167274 (CHEMBL3797399) Show SMILES Cc1nc2[nH]cnc2cc1-n1c2cn[nH]c2c2cc(F)ccc12 |(-2.8,-3.87,;-1.69,-4.39,;-1.56,-5.94,;-.15,-6.58,;.31,-8.04,;1.85,-8.05,;2.33,-6.62,;1.1,-5.7,;.98,-4.16,;-.44,-3.51,;-.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/c1-8-13(5-11-16(21-8)19-7-18-11)23-12-3-2-9(17)4-10(12)15-14(23)6-20-22-15/h2-7H,1H3,(H,20,22)(H,18,19,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	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
Microtubule-associated protein 2 (Homo sapiens (Human))	BDBM50167274 (CHEMBL3797399) Show SMILES Cc1nc2[nH]cnc2cc1-n1c2cn[nH]c2c2cc(F)ccc12 |(-2.8,-3.87,;-1.69,-4.39,;-1.56,-5.94,;-.15,-6.58,;.31,-8.04,;1.85,-8.05,;2.33,-6.62,;1.1,-5.7,;.98,-4.16,;-.44,-3.51,;-.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/c1-8-13(5-11-16(21-8)19-7-18-11)23-12-3-2-9(17)4-10(12)15-14(23)6-20-22-15/h2-7H,1H3,(H,20,22)(H,18,19,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	13	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