BDBM218794 Ac-AATQLRRFGDKLN-NH2::C1A_hNOXAs

SMILES: CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O

InChI Key: InChIKey=OWVBDICTVBZIAU-GYHZVSQUSA-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 = 218794   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM218794 (Ac-AATQLRRFGDKLN-NH2 | C1A_hNOXAs) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C66H111N23O19/c1-32(2)26-44(87-60(104)42(21-22-48(68)92)84-64(108)52(36(7)90)89-55(99)35(6)79-54(98)34(5)78-37(8)91)61(105)83-40(19-14-24-75-65(71)72)57(101)81-41(20-15-25-76-66(73)74)59(103)88-46(28-38-16-10-9-11-17-38)56(100)77-31-50(94)80-47(30-51(95)96)63(107)82-39(18-12-13-23-67)58(102)86-45(27-33(3)4)62(106)85-43(53(70)97)29-49(69)93/h9-11,16-17,32-36,39-47,52,90H,12-15,18-31,67H2,1-8H3,(H2,68,92)(H2,69,93)(H2,70,97)(H,77,100)(H,78,91)(H,79,98)(H,80,94)(H,81,101)(H,82,107)(H,83,105)(H,84,108)(H,85,106)(H,86,102)(H,87,104)(H,88,103)(H,89,99)(H,95,96)(H4,71,72,75)(H4,73,74,76)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California, Riverside					Assay Description One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...				ACS Chem Biol 12: 444-455 (2017) Article DOI: 10.1021/acschembio.6b00962 BindingDB Entry DOI: 10.7270/Q2P26WZ3
					More data for this Ligand-Target Pair
Bcl2-related protein A1 (Bfl-1) (Homo sapiens (Human))	BDBM218794 (Ac-AATQLRRFGDKLN-NH2 | C1A_hNOXAs) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O |r| Show InChI InChI=1S/C66H111N23O19/c1-32(2)26-44(87-60(104)42(21-22-48(68)92)84-64(108)52(36(7)90)89-55(99)35(6)79-54(98)34(5)78-37(8)91)61(105)83-40(19-14-24-75-65(71)72)57(101)81-41(20-15-25-76-66(73)74)59(103)88-46(28-38-16-10-9-11-17-38)56(100)77-31-50(94)80-47(30-51(95)96)63(107)82-39(18-12-13-23-67)58(102)86-45(27-33(3)4)62(106)85-43(53(70)97)29-49(69)93/h9-11,16-17,32-36,39-47,52,90H,12-15,18-31,67H2,1-8H3,(H2,68,92)(H2,69,93)(H2,70,97)(H,77,100)(H,78,91)(H,79,98)(H,80,94)(H,81,101)(H,82,107)(H,83,105)(H,84,108)(H,85,106)(H,86,102)(H,87,104)(H,88,103)(H,89,99)(H,95,96)(H4,71,72,75)(H4,73,74,76)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-/m0/s1	PDB GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California, Riverside					Assay Description One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...				ACS Chem Biol 12: 444-455 (2017) Article DOI: 10.1021/acschembio.6b00962 BindingDB Entry DOI: 10.7270/Q2P26WZ3
					More data for this Ligand-Target Pair