BDBM24127 (4R)-4-(3-hydroxyphenyl)-N,N,7,8-tetramethyl-1,2,3,4-tetrahydroisoquinoline-2-carboxamide::CHEMBL205786::tetrahydroisoquinoline (THIQ), 32a

SMILES: CN(C)C(=O)N1C[C@H](c2cccc(O)c2)c2ccc(C)c(C)c2C1

InChI Key: InChIKey=HPVCRUIDFODATB-LJQANCHMSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 24127   

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
Kinesin Spindle Protein Eg5 (Homo sapiens (Human))	BDBM24127 ((4R)-4-(3-hydroxyphenyl)-N,N,7,8-tetramethyl-1,2,3...) Show SMILES CN(C)C(=O)N1C[C@H](c2cccc(O)c2)c2ccc(C)c(C)c2C1 |r| Show InChI InChI=1S/C20H24N2O2/c1-13-8-9-17-18(14(13)2)11-22(20(24)21(3)4)12-19(17)15-6-5-7-16(23)10-15/h5-10,19,23H,11-12H2,1-4H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	7.0	23
Bristol-Myers Squibb Company					Assay Description ATPase assays with Eg5 motor domain protein were performed using Kinase-Glo Luminescent Kit as described by the manufacturer (Promega).				Bioorg Med Chem Lett 16: 2095-100 (2006) Article DOI: 10.1016/j.bmcl.2006.01.056 BindingDB Entry DOI: 10.7270/Q2VM49KF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein 1 (Homo sapiens (Human))	BDBM24127 ((4R)-4-(3-hydroxyphenyl)-N,N,7,8-tetramethyl-1,2,3...) Show SMILES CN(C)C(=O)N1C[C@H](c2cccc(O)c2)c2ccc(C)c(C)c2C1 |r| Show InChI InChI=1S/C20H24N2O2/c1-13-8-9-17-18(14(13)2)11-22(20(24)21(3)4)12-19(17)15-6-5-7-16(23)10-15/h5-10,19,23H,11-12H2,1-4H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of KSP				Bioorg Med Chem Lett 17: 722-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.083 BindingDB Entry DOI: 10.7270/Q2HT2Q4S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein 1 (Homo sapiens (Human))	BDBM24127 ((4R)-4-(3-hydroxyphenyl)-N,N,7,8-tetramethyl-1,2,3...) Show SMILES CN(C)C(=O)N1C[C@H](c2cccc(O)c2)c2ccc(C)c(C)c2C1 |r| Show InChI InChI=1S/C20H24N2O2/c1-13-8-9-17-18(14(13)2)11-22(20(24)21(3)4)12-19(17)15-6-5-7-16(23)10-15/h5-10,19,23H,11-12H2,1-4H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	306	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of KSP				Bioorg Med Chem Lett 17: 722-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.083 BindingDB Entry DOI: 10.7270/Q2HT2Q4S
					More data for this Ligand-Target Pair				3D Structure (crystal)