BDBM50519671 CHEMBL4470778

SMILES: Cc1nc(cs1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1

InChI Key: InChIKey=VGJUQZDOYBBMLP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50519671   

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
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50519671 (CHEMBL4470778) Show SMILES Cc1nc(cs1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1 Show InChI InChI=1S/C22H17N3O5S/c1-13-23-18(12-31-13)22(28)25-15-4-2-3-14(9-15)24-21(27)11-30-16-5-6-17-19(26)7-8-29-20(17)10-16/h2-10,12H,11H2,1H3,(H,24,27)(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human ROCK2 (11 to 552 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...				J Med Chem 62: 10691-10710 (2019) Article DOI: 10.1021/acs.jmedchem.9b01143
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50519671 (CHEMBL4470778) Show SMILES Cc1nc(cs1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1 Show InChI InChI=1S/C22H17N3O5S/c1-13-23-18(12-31-13)22(28)25-15-4-2-3-14(9-15)24-21(27)11-30-16-5-6-17-19(26)7-8-29-20(17)10-16/h2-10,12H,11H2,1H3,(H,24,27)(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	473	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human ROCK1 (17 to 535 residues) using KEAKEKRQEQIAKR as substrate incubated for 40 mins in presence of [gamma-33P]ATP and ...				J Med Chem 62: 10691-10710 (2019) Article DOI: 10.1021/acs.jmedchem.9b01143
					More data for this Ligand-Target Pair