BDBM50513012 CHEMBL4561445

SMILES: Fc1cc(F)cc(c1)[C@@H]1CC=NN1C(=O)C1CCN(CC1)c1ccc(nn1)C#N

InChI Key: InChIKey=LRSFJHOMTHDOLZ-SFHVURJKSA-N

Data: 3 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 = 50513012   

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
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513012 (CHEMBL4561445) Show SMILES Fc1cc(F)cc(c1)[C@@H]1CC=NN1C(=O)C1CCN(CC1)c1ccc(nn1)C#N |r,c:11| Show InChI InChI=1S/C20H18F2N6O/c21-15-9-14(10-16(22)11-15)18-3-6-24-28(18)20(29)13-4-7-27(8-5-13)19-2-1-17(12-23)25-26-19/h1-2,6,9-11,13,18H,3-5,7-8H2/t18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-16...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513012 (CHEMBL4561445) Show SMILES Fc1cc(F)cc(c1)[C@@H]1CC=NN1C(=O)C1CCN(CC1)c1ccc(nn1)C#N |r,c:11| Show InChI InChI=1S/C20H18F2N6O/c21-15-9-14(10-16(22)11-15)18-3-6-24-28(18)20(29)13-4-7-27(8-5-13)19-2-1-17(12-23)25-26-19/h1-2,6,9-11,13,18H,3-5,7-8H2/t18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necroptosis measured after 24 hrs by cell titer-glo luminesc...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50513012 (CHEMBL4561445) Show SMILES Fc1cc(F)cc(c1)[C@@H]1CC=NN1C(=O)C1CCN(CC1)c1ccc(nn1)C#N |r,c:11| Show InChI InChI=1S/C20H18F2N6O/c21-15-9-14(10-16(22)11-15)18-3-6-24-28(18)20(29)13-4-7-27(8-5-13)19-2-1-17(12-23)25-26-19/h1-2,6,9-11,13,18H,3-5,7-8H2/t18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human GST/His-tagged RIP1 (1 to 375 residues) expressed in baculovirus expression system assessed as reduction in autophosphorylation m...				J Med Chem 62: 5096-5110 (2019) Article DOI: 10.1021/acs.jmedchem.9b00318
					More data for this Ligand-Target Pair