BDBM50074717 CHEMBL451250::Phosphoric acid mono-[4-((5S,8R,11S,14R,17S,23aR)-17-acetylamino-8-carbamoylmethyl-11-cyclohexylmethyl-5-isopropyl-4,7,10,13,16,23-hexaoxo-docosahydro-3a,6,9,12,15,22-hexaaza-cyclopentacyclodocosen-14-ylmethyl)-phenyl] ester

SMILES: CC(C)[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)[C@H](CCCCNC(=O)[C@H]2CCCN2C1=O)NC(C)=O

InChI Key: InChIKey=HKEVLHGHDIEVSN-ZCQNOMNMSA-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 = 50074717   

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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50074717 (CHEMBL451250 | Phosphoric acid mono-[4-((5S,8R,11S...) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)[C@H](CCCCNC(=O)[C@H]2CCCN2C1=O)NC(C)=O Show InChI InChI=1S/C40H61N8O12P/c1-23(2)34-40(56)48-19-9-13-32(48)39(55)42-18-8-7-12-28(43-24(3)49)35(51)44-30(21-26-14-16-27(17-15-26)60-61(57,58)59)36(52)45-29(20-25-10-5-4-6-11-25)37(53)46-31(22-33(41)50)38(54)47-34/h14-17,23,25,28-32,34H,4-13,18-22H2,1-3H3,(H2,41,50)(H,42,55)(H,43,49)(H,44,51)(H,45,52)(H,46,53)(H,47,54)(H2,57,58,59)/t28-,29-,30+,31+,32+,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Forschungsinstitut Curated by ChEMBL					Assay Description Inhibitory activity against binding of Src protein tryrosine kinase SH2 domain to biotinylated EPQY*EEIPI Peptide by ELISA.				J Med Chem 42: 971-80 (1999) Article DOI: 10.1021/jm9811007 BindingDB Entry DOI: 10.7270/Q28S4P35
					More data for this Ligand-Target Pair
Growth factor receptor-bound protein 2 (Homo sapiens (Human))	BDBM50074717 (CHEMBL451250 | Phosphoric acid mono-[4-((5S,8R,11S...) Show SMILES CC(C)[C@@H]1NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)[C@H](CCCCNC(=O)[C@H]2CCCN2C1=O)NC(C)=O Show InChI InChI=1S/C40H61N8O12P/c1-23(2)34-40(56)48-19-9-13-32(48)39(55)42-18-8-7-12-28(43-24(3)49)35(51)44-30(21-26-14-16-27(17-15-26)60-61(57,58)59)36(52)45-29(20-25-10-5-4-6-11-25)37(53)46-31(22-33(41)50)38(54)47-34/h14-17,23,25,28-32,34H,4-13,18-22H2,1-3H3,(H2,41,50)(H,42,55)(H,43,49)(H,44,51)(H,45,52)(H,46,53)(H,47,54)(H2,57,58,59)/t28-,29-,30+,31+,32+,34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Forschungsinstitut Curated by ChEMBL					Assay Description Inhibitory activity against binding of Growth factor receptor bound protein 2 to biotinylated KPFY*VNVEF Peptide by ELISA.				J Med Chem 42: 971-80 (1999) Article DOI: 10.1021/jm9811007 BindingDB Entry DOI: 10.7270/Q28S4P35
					More data for this Ligand-Target Pair