BDBM50518404 CHEMBL4455896

SMILES: Nc1ncnc2c(csc12)C(=O)Nc1cccc2n(Cc3cccnc3)nc(Br)c12

InChI Key: InChIKey=RNSPJNIKRAJKOU-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50518404   

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 1A2 (Homo sapiens (Human))	BDBM50518404 (CHEMBL4455896) Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1cccc2n(Cc3cccnc3)nc(Br)c12 Show InChI InChI=1S/C20H14BrN7OS/c21-18-15-13(26-20(29)12-9-30-17-16(12)24-10-25-19(17)22)4-1-5-14(15)28(27-18)8-11-3-2-6-23-7-11/h1-7,9-10H,8H2,(H,26,29)(H2,22,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<250	n/a	n/a	n/a	n/a	n/a	n/a
Chung-Ang University Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes by LC-MS/MS analysis				Bioorg Med Chem Lett 29: 271-275 (2019) Article DOI: 10.1016/j.bmcl.2018.11.037
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50518404 (CHEMBL4455896) Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1cccc2n(Cc3cccnc3)nc(Br)c12 Show InChI InChI=1S/C20H14BrN7OS/c21-18-15-13(26-20(29)12-9-30-17-16(12)24-10-25-19(17)22)4-1-5-14(15)28(27-18)8-11-3-2-6-23-7-11/h1-7,9-10H,8H2,(H,26,29)(H2,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chung-Ang University Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes by LC-MS/MS analysis				Bioorg Med Chem Lett 29: 271-275 (2019) Article DOI: 10.1016/j.bmcl.2018.11.037
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50518404 (CHEMBL4455896) Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1cccc2n(Cc3cccnc3)nc(Br)c12 Show InChI InChI=1S/C20H14BrN7OS/c21-18-15-13(26-20(29)12-9-30-17-16(12)24-10-25-19(17)22)4-1-5-14(15)28(27-18)8-11-3-2-6-23-7-11/h1-7,9-10H,8H2,(H,26,29)(H2,22,24,25)	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	310	n/a	n/a	n/a	n/a	n/a	n/a
Chung-Ang University Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes by LC-MS/MS analysis				Bioorg Med Chem Lett 29: 271-275 (2019) Article DOI: 10.1016/j.bmcl.2018.11.037
					More data for this Ligand-Target Pair
Macrophage colony stimulating factor receptor (Homo sapiens (Human))	BDBM50518404 (CHEMBL4455896) Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1cccc2n(Cc3cccnc3)nc(Br)c12 Show InChI InChI=1S/C20H14BrN7OS/c21-18-15-13(26-20(29)12-9-30-17-16(12)24-10-25-19(17)22)4-1-5-14(15)28(27-18)8-11-3-2-6-23-7-11/h1-7,9-10H,8H2,(H,26,29)(H2,22,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Chung-Ang University Curated by ChEMBL					Assay Description Antagonist activity at recombinant human N-terminal His6-tagged FMS (538 to end residues) expressed in baculovirus infected Sf21 insect cells using I...				Bioorg Med Chem Lett 29: 271-275 (2019) Article DOI: 10.1016/j.bmcl.2018.11.037
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50518404 (CHEMBL4455896) Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1cccc2n(Cc3cccnc3)nc(Br)c12 Show InChI InChI=1S/C20H14BrN7OS/c21-18-15-13(26-20(29)12-9-30-17-16(12)24-10-25-19(17)22)4-1-5-14(15)28(27-18)8-11-3-2-6-23-7-11/h1-7,9-10H,8H2,(H,26,29)(H2,22,24,25)	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	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chung-Ang University Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes by LC-MS/MS analysis				Bioorg Med Chem Lett 29: 271-275 (2019) Article DOI: 10.1016/j.bmcl.2018.11.037
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50518404 (CHEMBL4455896) Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1cccc2n(Cc3cccnc3)nc(Br)c12 Show InChI InChI=1S/C20H14BrN7OS/c21-18-15-13(26-20(29)12-9-30-17-16(12)24-10-25-19(17)22)4-1-5-14(15)28(27-18)8-11-3-2-6-23-7-11/h1-7,9-10H,8H2,(H,26,29)(H2,22,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chung-Ang University Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes by LC-MS/MS analysis				Bioorg Med Chem Lett 29: 271-275 (2019) Article DOI: 10.1016/j.bmcl.2018.11.037
					More data for this Ligand-Target Pair