BDBM50081565 CHEMBL3422075

SMILES: [H][C@]12CC[C@]([H])(C[C@@H](C1)Oc1ccc(cc1)-c1n[nH]c3ccc(cc13)C(=O)NC(C1CC1)c1ccccc1)N2C

InChI Key: InChIKey=IYBGHBZUXSMOKI-FCEYLIBWSA-N

Data: 2 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 2 hits for monomerid = 50081565   

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 protein kinase TTK (Homo sapiens (Human))	BDBM50081565 (CHEMBL3422075) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Oc1ccc(cc1)-c1n[nH]c3ccc(cc13)C(=O)NC(C1CC1)c1ccccc1)N2C |r| Show InChI InChI=1S/C32H34N4O2/c1-36-24-12-13-25(36)19-27(18-24)38-26-14-9-22(10-15-26)31-28-17-23(11-16-29(28)34-35-31)32(37)33-30(21-7-8-21)20-5-3-2-4-6-20/h2-6,9-11,14-17,21,24-25,27,30H,7-8,12-13,18-19H2,1H3,(H,33,37)(H,34,35)/t24-,25+,27+,30?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...				J Med Chem 58: 3366-92 (2015) Article DOI: 10.1021/jm501740a BindingDB Entry DOI: 10.7270/Q2Q52RCN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50081565 (CHEMBL3422075) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Oc1ccc(cc1)-c1n[nH]c3ccc(cc13)C(=O)NC(C1CC1)c1ccccc1)N2C |r| Show InChI InChI=1S/C32H34N4O2/c1-36-24-12-13-25(36)19-27(18-24)38-26-14-9-22(10-15-26)31-28-17-23(11-16-29(28)34-35-31)32(37)33-30(21-7-8-21)20-5-3-2-4-6-20/h2-6,9-11,14-17,21,24-25,27,30H,7-8,12-13,18-19H2,1H3,(H,33,37)(H,34,35)/t24-,25+,27+,30?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 using BFC as substrate preincubated for 10 mins followed by enzyme/substrate addition measured after 30 mins by fluorescen...				J Med Chem 58: 3366-92 (2015) Article DOI: 10.1021/jm501740a BindingDB Entry DOI: 10.7270/Q2Q52RCN
					More data for this Ligand-Target Pair