BDBM50159512 CHEMBL3786293

SMILES: O=C(N[C@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1

InChI Key: InChIKey=HMBAEAQKWTXBHE-KRWDZBQOSA-N

Data: 8 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 8 hits for monomerid = 50159512   

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))	BDBM50159512 (CHEMBL3786293) Show SMILES O=C(N[C@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1 |r| Show InChI InChI=1S/C20H17N3O4/c24-19(16-11-14(27-23-16)10-13-6-2-1-3-7-13)22-17-12-26-18-9-5-4-8-15(18)21-20(17)25/h1-9,11,17H,10,12H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human RIP1 in human U937 cells assessed as inhibition of TNF/zVAD.fmk induced necroptosis after 24 hrs by Cell titer-Glo luminescence a...				J Med Chem 59: 2163-78 (2016) BindingDB Entry DOI: 10.7270/Q26H4K97
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50159512 (CHEMBL3786293) Show SMILES O=C(N[C@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1 |r| Show InChI InChI=1S/C20H17N3O4/c24-19(16-11-14(27-23-16)10-13-6-2-1-3-7-13)22-17-12-26-18-9-5-4-8-15(18)21-20(17)25/h1-9,11,17H,10,12H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human RIP1 in human U937 cells assessed as inhibition of TNF/zVAD.fmk induced necroptosis after 24 hrs by Cell titer-Glo luminescence a...				J Med Chem 59: 2163-78 (2016) BindingDB Entry DOI: 10.7270/Q26H4K97
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50159512 (CHEMBL3786293) Show SMILES O=C(N[C@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1 |r| Show InChI InChI=1S/C20H17N3O4/c24-19(16-11-14(27-23-16)10-13-6-2-1-3-7-13)22-17-12-26-18-9-5-4-8-15(18)21-20(17)25/h1-9,11,17H,10,12H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human RIP1 (1 to 375 residues) after 4 hrs by ADP-Glo reagent based assay				J Med Chem 59: 2163-78 (2016) BindingDB Entry DOI: 10.7270/Q26H4K97
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50159512 (CHEMBL3786293) Show SMILES O=C(N[C@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1 |r| Show InChI InChI=1S/C20H17N3O4/c24-19(16-11-14(27-23-16)10-13-6-2-1-3-7-13)22-17-12-26-18-9-5-4-8-15(18)21-20(17)25/h1-9,11,17H,10,12H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of pDEST8HisGSTTev-tagged human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated with enzyme for 1 hr ...				ACS Med Chem Lett 10: 857-862 (2019) Article DOI: 10.1021/acsmedchemlett.9b00108
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50159512 (CHEMBL3786293) Show SMILES O=C(N[C@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1 |r| Show InChI InChI=1S/C20H17N3O4/c24-19(16-11-14(27-23-16)10-13-6-2-1-3-7-13)22-17-12-26-18-9-5-4-8-15(18)21-20(17)25/h1-9,11,17H,10,12H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Queen Mary University of London Curated by ChEMBL					Assay Description Inhibition of RIP1 in human U937 cells assessed as reduction in TNFalpha/QVD-Oph-induced necrosis after 24 hrs by Cell Titer-Glo luminescent cell via...				J Med Chem 60: 1247-1261 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92NR
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50159512 (CHEMBL3786293) Show SMILES O=C(N[C@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1 |r| Show InChI InChI=1S/C20H17N3O4/c24-19(16-11-14(27-23-16)10-13-6-2-1-3-7-13)22-17-12-26-18-9-5-4-8-15(18)21-20(17)25/h1-9,11,17H,10,12H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Queen Mary University of London Curated by ChEMBL					Assay Description Inhibition of human RIP1 (1 to 375 residues) expressed in baculovirus infected insect cells preincubated for 1 hr followed by ATP addition measured a...				J Med Chem 60: 1247-1261 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92NR
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50159512 (CHEMBL3786293) Show SMILES O=C(N[C@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1 |r| Show InChI InChI=1S/C20H17N3O4/c24-19(16-11-14(27-23-16)10-13-6-2-1-3-7-13)22-17-12-26-18-9-5-4-8-15(18)21-20(17)25/h1-9,11,17H,10,12H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	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 necroptosis incubated for 24 hrs by cell titer-glo luminescent cell viability assay				ACS Med Chem Lett 10: 857-862 (2019) Article DOI: 10.1021/acsmedchemlett.9b00108
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM50159512 (CHEMBL3786293) Show SMILES O=C(N[C@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1 |r| Show InChI InChI=1S/C20H17N3O4/c24-19(16-11-14(27-23-16)10-13-6-2-1-3-7-13)22-17-12-26-18-9-5-4-8-15(18)21-20(17)25/h1-9,11,17H,10,12H2,(H,21,25)(H,22,24)/t17-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Queen Mary University of London Curated by ChEMBL					Assay Description Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)-amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)...				J Med Chem 60: 1247-1261 (2017) BindingDB Entry DOI: 10.7270/Q2SQ92NR
					More data for this Ligand-Target Pair