null

SMILES: C[C@@H]1N(Cc2ccc(cc2)N=[N+]=[N-])C(=O)N(C1=O)c1ccc(OCC#C)cc1

InChI Key: InChIKey=LXRQCUOUHNYIEH-AWEZNQCLSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50530450   

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
Smoothened homolog (Mus musculus)	BDBM50530450 (CHEMBL4562943) Show SMILES C[C@@H]1N(Cc2ccc(cc2)N=[N+]=[N-])C(=O)N(C1=O)c1ccc(OCC#C)cc1 |r| Show InChI InChI=1S/C20H17N5O3/c1-3-12-28-18-10-8-17(9-11-18)25-19(26)14(2)24(20(25)27)13-15-4-6-16(7-5-15)22-23-21/h1,4-11,14H,12-13H2,2H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response pre...				J Med Chem 62: 9983-9989 (2019) Article DOI: 10.1021/acs.jmedchem.9b00283 BindingDB Entry DOI: 10.7270/Q2CC1453
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50530450 (CHEMBL4562943) Show SMILES C[C@@H]1N(Cc2ccc(cc2)N=[N+]=[N-])C(=O)N(C1=O)c1ccc(OCC#C)cc1 |r| Show InChI InChI=1S/C20H17N5O3/c1-3-12-28-18-10-8-17(9-11-18)25-19(26)14(2)24(20(25)27)13-15-4-6-16(7-5-15)22-23-21/h1,4-11,14H,12-13H2,2H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis				J Med Chem 62: 9983-9989 (2019) Article DOI: 10.1021/acs.jmedchem.9b00283 BindingDB Entry DOI: 10.7270/Q2CC1453
					More data for this Ligand-Target Pair
Smoothened homolog (Mus musculus)	BDBM50530450 (CHEMBL4562943) Show SMILES C[C@@H]1N(Cc2ccc(cc2)N=[N+]=[N-])C(=O)N(C1=O)c1ccc(OCC#C)cc1 |r| Show InChI InChI=1S/C20H17N5O3/c1-3-12-28-18-10-8-17(9-11-18)25-19(26)14(2)24(20(25)27)13-15-4-6-16(7-5-15)22-23-21/h1,4-11,14H,12-13H2,2H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Antagonist activity at SMO in mouse NIH/3T3 cells harboring Gli-responsive firefly luciferase gene assessed as inhibition of SAG-induced response pre...				J Med Chem 62: 9983-9989 (2019) Article DOI: 10.1021/acs.jmedchem.9b00283 BindingDB Entry DOI: 10.7270/Q2CC1453
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50530450 (CHEMBL4562943) Show SMILES C[C@@H]1N(Cc2ccc(cc2)N=[N+]=[N-])C(=O)N(C1=O)c1ccc(OCC#C)cc1 |r| Show InChI InChI=1S/C20H17N5O3/c1-3-12-28-18-10-8-17(9-11-18)25-19(26)14(2)24(20(25)27)13-15-4-6-16(7-5-15)22-23-21/h1,4-11,14H,12-13H2,2H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University Curated by ChEMBL					Assay Description Displacement of BODIPY-LY from SMO (unknown origin) expressed in HEK293F cells measured after 15 mins by flow cytometric analysis				J Med Chem 62: 9983-9989 (2019) Article DOI: 10.1021/acs.jmedchem.9b00283 BindingDB Entry DOI: 10.7270/Q2CC1453
					More data for this Ligand-Target Pair