BDBM50541592 CHEMBL3187788

SMILES: CC(O)(C#Cc1ccc2CCN(c2c1)c1nc(N)ncc1Cl)c1nccs1

InChI Key: InChIKey=OKFYOOFXVBCIIP-UHFFFAOYSA-N

Data: 1 KI  1 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 3 hits for monomerid = 50541592   

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
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50541592 (CHEMBL3187788) Show SMILES CC(O)(C#Cc1ccc2CCN(c2c1)c1nc(N)ncc1Cl)c1nccs1 Show InChI InChI=1S/C19H16ClN5OS/c1-19(26,17-22-7-9-27-17)6-4-12-2-3-13-5-8-25(15(13)10-12)16-14(20)11-23-18(21)24-16/h2-3,7,9-11,26H,5,8H2,1H3,(H2,21,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of NIK (unknown origin)				J Med Chem 63: 6748-6773 (2020)
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50541592 (CHEMBL3187788) Show SMILES CC(O)(C#Cc1ccc2CCN(c2c1)c1nc(N)ncc1Cl)c1nccs1 Show InChI InChI=1S/C19H16ClN5OS/c1-19(26,17-22-7-9-27-17)6-4-12-2-3-13-5-8-25(15(13)10-12)16-14(20)11-23-18(21)24-16/h2-3,7,9-11,26H,5,8H2,1H3,(H2,21,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 14 (Homo sapiens (Human))	BDBM50541592 (CHEMBL3187788) Show SMILES CC(O)(C#Cc1ccc2CCN(c2c1)c1nc(N)ncc1Cl)c1nccs1 Show InChI InChI=1S/C19H16ClN5OS/c1-19(26,17-22-7-9-27-17)6-4-12-2-3-13-5-8-25(15(13)10-12)16-14(20)11-23-18(21)24-16/h2-3,7,9-11,26H,5,8H2,1H3,(H2,21,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-fused human NIK (319 to 947 residues) expressed in baculovirus expression system incubated for 120 mins in p...				J Med Chem 63: 6748-6773 (2020)
					More data for this Ligand-Target Pair